smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000619755411 1125680885 /nfs/dbraw/zinc/68/08/85/1125680885.db2.gz IJHODRBROSMMLV-LBPRGKRZSA-N 0 1 359.813 4.369 20 30 FIEDMN Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748249 1125690286 /nfs/dbraw/zinc/69/02/86/1125690286.db2.gz DKSNZHRJARNIRY-UHFFFAOYSA-N 0 1 364.880 4.363 20 30 FIEDMN CC(C)(C)OC(=O)c1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748367 1125690393 /nfs/dbraw/zinc/69/03/93/1125690393.db2.gz BTTATZNRDLJIQP-UHFFFAOYSA-N 0 1 356.853 4.457 20 30 FIEDMN COc1cc(CNCc2ccc(C#N)c(Cl)c2)cc(Cl)c1OC ZINC000619749068 1125691194 /nfs/dbraw/zinc/69/11/94/1125691194.db2.gz ZHSVFAJPZMUBGD-UHFFFAOYSA-N 0 1 351.233 4.172 20 30 FIEDMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2O[C@H](C)C#N)c1C ZINC000183134270 1125759605 /nfs/dbraw/zinc/75/96/05/1125759605.db2.gz GTJMIUUQGNJIBO-CQSZACIVSA-N 0 1 358.463 4.012 20 30 FIEDMN CCn1nccc1C1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000577567069 1079612350 /nfs/dbraw/zinc/61/23/50/1079612350.db2.gz OEMCOYQVHHWMJN-UHFFFAOYSA-N 0 1 362.399 4.173 20 30 FIEDMN N#Cc1ccc2c(c1)[C@@H](NCc1ccncc1OCc1ccccc1)CC2 ZINC000579770118 1079645634 /nfs/dbraw/zinc/64/56/34/1079645634.db2.gz HHIVIUGPNPREGC-QFIPXVFZSA-N 0 1 355.441 4.309 20 30 FIEDMN Cc1cc(C#N)cnc1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000559056099 1079913185 /nfs/dbraw/zinc/91/31/85/1079913185.db2.gz OEGMSZUUQDASTL-UHFFFAOYSA-N 0 1 371.375 4.196 20 30 FIEDMN Cc1cccc(CN(CCOc2ccccc2C#N)Cc2ccccn2)c1 ZINC000471178742 1080129946 /nfs/dbraw/zinc/12/99/46/1080129946.db2.gz XJHIWPISDFAPTF-UHFFFAOYSA-N 0 1 357.457 4.343 20 30 FIEDMN N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCc4[nH]ncc43)cc2)cc1 ZINC000134765430 1080370115 /nfs/dbraw/zinc/37/01/15/1080370115.db2.gz YOGPYXVMMYNVCI-SFHVURJKSA-N 0 1 358.401 4.132 20 30 FIEDMN N#Cc1ccc(CN(CCn2ccnc2)Cc2cccc(Cl)c2)cc1F ZINC000430292334 1080425881 /nfs/dbraw/zinc/42/58/81/1080425881.db2.gz IQLOOAJRORCYOX-UHFFFAOYSA-N 0 1 368.843 4.250 20 30 FIEDMN N#Cc1ccc(NC(=O)CN(Cc2ccccc2)CC2CCC2)cc1Cl ZINC001167156506 1080754713 /nfs/dbraw/zinc/75/47/13/1080754713.db2.gz BASXYDYZDBOOIH-UHFFFAOYSA-N 0 1 367.880 4.452 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000247108047 1080807372 /nfs/dbraw/zinc/80/73/72/1080807372.db2.gz YEWAAPZNJUZTKR-ZACQAIPSSA-N 0 1 359.539 4.387 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C)CCC[C@@H]1C ZINC000247108047 1080807378 /nfs/dbraw/zinc/80/73/78/1080807378.db2.gz YEWAAPZNJUZTKR-ZACQAIPSSA-N 0 1 359.539 4.387 20 30 FIEDMN N#Cc1ccc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)s1 ZINC000176951708 1081171135 /nfs/dbraw/zinc/17/11/35/1081171135.db2.gz MMCWSMUOXQKRQT-UHFFFAOYSA-N 0 1 365.433 4.301 20 30 FIEDMN Cc1cccnc1[C@@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000118840687 1081214726 /nfs/dbraw/zinc/21/47/26/1081214726.db2.gz RRPSMKWWWXRVEE-KDOFPFPSSA-N 0 1 370.884 4.229 20 30 FIEDMN C=C(C)COc1cc(CN[C@H]2c3ccc(F)cc3O[C@H]2C)ccc1OC ZINC000580003058 1081386164 /nfs/dbraw/zinc/38/61/64/1081386164.db2.gz FANZPYGXOGMYKT-LHSJRXKWSA-N 0 1 357.425 4.401 20 30 FIEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000610345896 1081501787 /nfs/dbraw/zinc/50/17/87/1081501787.db2.gz BSGRZQMGCZYVNJ-STQMWFEESA-N 0 1 361.367 4.255 20 30 FIEDMN CCO[C@@H]1C[C@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1(CC)CC ZINC000083249220 1081561635 /nfs/dbraw/zinc/56/16/35/1081561635.db2.gz VFKZCTMKYGAVBD-ZWKOTPCHSA-N 0 1 368.481 4.024 20 30 FIEDMN COc1cc2nccc(N3CCC(CC#N)CC3)c2cc1Br ZINC000580186982 1081738410 /nfs/dbraw/zinc/73/84/10/1081738410.db2.gz LEFPLCMDMMJCSK-UHFFFAOYSA-N 0 1 360.255 4.136 20 30 FIEDMN CC(C)NC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000155691039 1081876209 /nfs/dbraw/zinc/87/62/09/1081876209.db2.gz PMKKYZOTDKZIDN-NSHDSACASA-N 0 1 354.262 4.249 20 30 FIEDMN CCC[C@@H](NCc1cnc2c(C#N)cnn2c1)c1cccc(C(F)(F)F)c1 ZINC000580349701 1081883681 /nfs/dbraw/zinc/88/36/81/1081883681.db2.gz PFZORQAKIKTTIL-QGZVFWFLSA-N 0 1 373.382 4.251 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H]2CCOc3ccc(F)cc32)ccc1OC ZINC000068985436 1082205711 /nfs/dbraw/zinc/20/57/11/1082205711.db2.gz KNZLYNIOLRZFPD-GOSISDBHSA-N 0 1 357.425 4.403 20 30 FIEDMN N#Cc1ccc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)s1 ZINC000126143294 1082276970 /nfs/dbraw/zinc/27/69/70/1082276970.db2.gz IZOAXKTXRREZFS-UHFFFAOYSA-N 0 1 368.506 4.046 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccnn2-c2ccccc2)s1 ZINC000430591976 1082534783 /nfs/dbraw/zinc/53/47/83/1082534783.db2.gz GSDVQIQLBYWGNQ-AWEZNQCLSA-N 0 1 350.447 4.116 20 30 FIEDMN CCN(C)C(=O)c1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430629589 1082766263 /nfs/dbraw/zinc/76/62/63/1082766263.db2.gz OWVMARHMKRBJPI-HNNXBMFYSA-N 0 1 369.490 4.023 20 30 FIEDMN COCCCOc1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430631022 1082768849 /nfs/dbraw/zinc/76/88/49/1082768849.db2.gz STQWQCWZRGMNEG-MRXNPFEDSA-N 0 1 372.490 4.346 20 30 FIEDMN C=C[C@H](CC)CC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001266812587 1082858921 /nfs/dbraw/zinc/85/89/21/1082858921.db2.gz QHSZETJRRSJNTK-FRIZHTMISA-N 0 1 352.881 4.190 20 30 FIEDMN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000510662481 1083226543 /nfs/dbraw/zinc/22/65/43/1083226543.db2.gz LQEFOIFCCYSCJP-UHFFFAOYSA-N 0 1 361.445 4.466 20 30 FIEDMN N#C[C@H](C(=O)c1csc(N2CCCCC2)n1)c1ccc2ccccc2n1 ZINC000892427619 1083365324 /nfs/dbraw/zinc/36/53/24/1083365324.db2.gz PBNYCVIZSRCTHE-HNNXBMFYSA-N 0 1 362.458 4.172 20 30 FIEDMN N#CC(C(=O)c1csc(N2CCCCC2)n1)c1ccc2ccccc2n1 ZINC000892427619 1083365333 /nfs/dbraw/zinc/36/53/33/1083365333.db2.gz PBNYCVIZSRCTHE-HNNXBMFYSA-N 0 1 362.458 4.172 20 30 FIEDMN N#CC1(c2ccccn2)CCN(CCCOc2cccc(Cl)c2)CC1 ZINC000548865639 1083388571 /nfs/dbraw/zinc/38/85/71/1083388571.db2.gz WXMKNDOVHZXNBP-UHFFFAOYSA-N 0 1 355.869 4.061 20 30 FIEDMN CC(C)[C@H]1c2ccccc2CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610788102 1083516935 /nfs/dbraw/zinc/51/69/35/1083516935.db2.gz UHNZDPRHWYNRGQ-NRFANRHFSA-N 0 1 358.445 4.364 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(-n2cncn2)cc1Cl)c1cccc(C#N)c1 ZINC000610830345 1083745542 /nfs/dbraw/zinc/74/55/42/1083745542.db2.gz NJLPJXLSCKCLSL-ZIAGYGMSSA-N 0 1 351.841 4.204 20 30 FIEDMN CC(C)(CC(=O)C(C#N)C(=O)Nc1ccccc1Cl)CC(F)(F)F ZINC000892489645 1083746451 /nfs/dbraw/zinc/74/64/51/1083746451.db2.gz LRSIYUYBWKZWKX-JTQLQIEISA-N 0 1 360.763 4.356 20 30 FIEDMN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000179885174 1083829195 /nfs/dbraw/zinc/82/91/95/1083829195.db2.gz JYESGNJZCNBZEZ-UHFFFAOYSA-N 0 1 350.853 4.244 20 30 FIEDMN O=C1COc2cc(N=Cc3cc(Cl)cc(Cl)c3O)c(Cl)cc2N1 ZINC000255424195 1083839606 /nfs/dbraw/zinc/83/96/06/1083839606.db2.gz MKHWBZSUIPFWBM-UHFFFAOYSA-N 0 1 371.607 4.434 20 30 FIEDMN N#Cc1ccccc1-c1ccc(CN2CCN(c3ccc(F)cn3)CC2)cc1 ZINC000538220602 1084023982 /nfs/dbraw/zinc/02/39/82/1084023982.db2.gz JHLUFFGFTPFEDH-UHFFFAOYSA-N 0 1 372.447 4.082 20 30 FIEDMN COc1ccc(C(C)=NNc2ccc(Br)cc2F)cc1OC ZINC000728432867 1084086713 /nfs/dbraw/zinc/08/67/13/1084086713.db2.gz FYYVFHBQGJEJLE-UHFFFAOYSA-N 0 1 367.218 4.442 20 30 FIEDMN O=C(/C=C\c1cnn(Cc2ccccc2Cl)c1)c1ccc(O)c(F)c1 ZINC000728438257 1084146205 /nfs/dbraw/zinc/14/62/05/1084146205.db2.gz CXGKKTSOOOXAKK-ALCCZGGFSA-N 0 1 356.784 4.326 20 30 FIEDMN Cc1nn(Cc2ccccc2)c(C)c1/C=C\C(=O)c1ccc(O)c(F)c1 ZINC000728438603 1084172161 /nfs/dbraw/zinc/17/21/61/1084172161.db2.gz IKIJFFLZAHDLLF-LUAWRHEFSA-N 0 1 350.393 4.289 20 30 FIEDMN COc1ccc(C#N)cc1CN[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000180088713 1084345660 /nfs/dbraw/zinc/34/56/60/1084345660.db2.gz MGBYIZPKOCCDEU-INIZCTEOSA-N 0 1 368.477 4.461 20 30 FIEDMN CC(C)COc1ccccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180102930 1084401359 /nfs/dbraw/zinc/40/13/59/1084401359.db2.gz PMFFFSAKDUIZAI-UHFFFAOYSA-N 0 1 374.488 4.283 20 30 FIEDMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000580661157 1084447826 /nfs/dbraw/zinc/44/78/26/1084447826.db2.gz GOWAASGWCCGLCH-JKSUJKDBSA-N 0 1 361.445 4.175 20 30 FIEDMN Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000180126905 1084618216 /nfs/dbraw/zinc/61/82/16/1084618216.db2.gz AVVCDRMHYIRCQI-AWEZNQCLSA-N 0 1 365.506 4.225 20 30 FIEDMN Cc1nc(C)c([C@H](C)N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000180126905 1084618222 /nfs/dbraw/zinc/61/82/22/1084618222.db2.gz AVVCDRMHYIRCQI-AWEZNQCLSA-N 0 1 365.506 4.225 20 30 FIEDMN CCN(C(=O)CNC1(c2cccc(C#N)c2)CC1)c1cccc2ccccc21 ZINC000551712863 1084704168 /nfs/dbraw/zinc/70/41/68/1084704168.db2.gz MNQSWSVBEDXTJO-UHFFFAOYSA-N 0 1 369.468 4.343 20 30 FIEDMN N#CC(C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nc2ccccc2o1 ZINC000174015005 1084721712 /nfs/dbraw/zinc/72/17/12/1084721712.db2.gz QUBRWIWYFZOVFA-OAHLLOKOSA-N 0 1 370.368 4.245 20 30 FIEDMN C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000119973781 1084750909 /nfs/dbraw/zinc/75/09/09/1084750909.db2.gz JGDHTXBLEWFTKV-AWEZNQCLSA-N 0 1 353.491 4.178 20 30 FIEDMN COc1nc2ccccc2cc1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000551986291 1084759781 /nfs/dbraw/zinc/75/97/81/1084759781.db2.gz VAPATUIGUILVQT-UHFFFAOYSA-N 0 1 373.456 4.158 20 30 FIEDMN C[C@H](c1cccc(C#N)c1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000187731519 1084843082 /nfs/dbraw/zinc/84/30/82/1084843082.db2.gz HCNFHWUYKLDBRQ-MRXNPFEDSA-N 0 1 367.880 4.121 20 30 FIEDMN Cc1nc2cccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c2[nH]1 ZINC000549037412 1084856860 /nfs/dbraw/zinc/85/68/60/1084856860.db2.gz QYXVFTNMLLWLMG-AWEZNQCLSA-N 0 1 359.216 4.173 20 30 FIEDMN Cc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c(OC(C)C)c1 ZINC000478391198 1084948113 /nfs/dbraw/zinc/94/81/13/1084948113.db2.gz XWAKTWZPBNFDPL-UHFFFAOYSA-N 0 1 374.488 4.344 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN2CCC(C)(C3CC3)CC2)c1C ZINC000582449420 1085018937 /nfs/dbraw/zinc/01/89/37/1085018937.db2.gz ALMXGICAEBSIAL-UHFFFAOYSA-N 0 1 353.510 4.062 20 30 FIEDMN O=C1CCc2cc(N=Cc3cc(Cl)cc(Cl)c3O)c(F)cc2N1 ZINC000588523150 1085053601 /nfs/dbraw/zinc/05/36/01/1085053601.db2.gz IHDPEHAACHXMLW-UHFFFAOYSA-N 0 1 353.180 4.473 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000511866582 1085211437 /nfs/dbraw/zinc/21/14/37/1085211437.db2.gz CWRVLGZUILJLRS-VIFPVBQESA-N 0 1 355.644 4.358 20 30 FIEDMN Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(OC[C@H]2CCOC2)c1 ZINC000124962017 1085224974 /nfs/dbraw/zinc/22/49/74/1085224974.db2.gz WZEPZJCACCVEJD-MJGOQNOKSA-N 0 1 350.462 4.133 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C(C)(C)CC)cc2)n1 ZINC000511883315 1085299821 /nfs/dbraw/zinc/29/98/21/1085299821.db2.gz DICHOVWASYWUQI-HNNXBMFYSA-N 0 1 370.474 4.497 20 30 FIEDMN CC(C)COc1ncccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000093243574 1085496648 /nfs/dbraw/zinc/49/66/48/1085496648.db2.gz HOXOODDTKIWZHL-CQSZACIVSA-N 0 1 363.339 4.020 20 30 FIEDMN CC(C)COc1ncccc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000093243574 1085496657 /nfs/dbraw/zinc/49/66/57/1085496657.db2.gz HOXOODDTKIWZHL-CQSZACIVSA-N 0 1 363.339 4.020 20 30 FIEDMN C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000661380656 1085539579 /nfs/dbraw/zinc/53/95/79/1085539579.db2.gz HZIFTMODHZCZKB-RTBURBONSA-N 0 1 366.509 4.104 20 30 FIEDMN C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000046527177 1085680050 /nfs/dbraw/zinc/68/00/50/1085680050.db2.gz HFWIDRUJIMZSKG-UHFFFAOYSA-N 0 1 355.441 4.443 20 30 FIEDMN CN(Cc1ccc(C#N)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000046527177 1085680056 /nfs/dbraw/zinc/68/00/56/1085680056.db2.gz HFWIDRUJIMZSKG-UHFFFAOYSA-N 0 1 355.441 4.443 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)nc(C)n1 ZINC000051898175 1085700930 /nfs/dbraw/zinc/70/09/30/1085700930.db2.gz SLYLIXGGDGCINP-ZDUSSCGKSA-N 0 1 368.849 4.360 20 30 FIEDMN Cn1cc(Oc2ccccc2C(=O)[C@@H](C#N)c2nccc3ccccc32)cn1 ZINC000549569746 1085826571 /nfs/dbraw/zinc/82/65/71/1085826571.db2.gz ADNMAQDICZQUHQ-IBGZPJMESA-N 0 1 368.396 4.251 20 30 FIEDMN C=CCOc1c(Cl)cc(CN2CCC[C@H](COCC)C2)cc1OC ZINC000628175552 1085876875 /nfs/dbraw/zinc/87/68/75/1085876875.db2.gz BDFUNGNOTHPRTM-HNNXBMFYSA-N 0 1 353.890 4.162 20 30 FIEDMN C[C@@H](NC(C)(C)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000541644865 1085917967 /nfs/dbraw/zinc/91/79/67/1085917967.db2.gz KYWVSQWKOSBOPT-LLVKDONJSA-N 0 1 359.520 4.022 20 30 FIEDMN CN(CCOCc1ccc(C#N)cc1)Cc1csc(Br)c1 ZINC000582988969 1085998322 /nfs/dbraw/zinc/99/83/22/1085998322.db2.gz ZZCJZKWZTIWQJK-UHFFFAOYSA-N 0 1 365.296 4.031 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000662088046 1086120058 /nfs/dbraw/zinc/12/00/58/1086120058.db2.gz UFGWRGGTKLTVHL-HDICACEKSA-N 0 1 353.491 4.007 20 30 FIEDMN CO[C@@H](C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000125668194 1086151367 /nfs/dbraw/zinc/15/13/67/1086151367.db2.gz MRHLKAWWIZEOLZ-GZMMTYOYSA-N 0 1 355.246 4.328 20 30 FIEDMN CO[C@H](C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000125668848 1086153294 /nfs/dbraw/zinc/15/32/94/1086153294.db2.gz MRHLKAWWIZEOLZ-KCJUWKMLSA-N 0 1 355.246 4.328 20 30 FIEDMN CN(CC(=O)Nc1ccccc1SCC#N)C(C)(C)c1ccccc1 ZINC000585754255 1086686212 /nfs/dbraw/zinc/68/62/12/1086686212.db2.gz BQBAFIJBZVOMLQ-UHFFFAOYSA-N 0 1 353.491 4.108 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)C=Cc3cccnc3)n2)cc1 ZINC000255570851 1086795703 /nfs/dbraw/zinc/79/57/03/1086795703.db2.gz ANPLKBGGKBPAPK-ASRSSLEJSA-N 0 1 361.426 4.103 20 30 FIEDMN C=CCCCN(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245680239 1086821009 /nfs/dbraw/zinc/82/10/09/1086821009.db2.gz JVSGJSLVGSFWIK-CRAIPNDOSA-N 0 1 367.896 4.080 20 30 FIEDMN C=CCCCN(C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245680239 1086821021 /nfs/dbraw/zinc/82/10/21/1086821021.db2.gz JVSGJSLVGSFWIK-CRAIPNDOSA-N 0 1 367.896 4.080 20 30 FIEDMN CC(C)(C#N)CNC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000458654351 1086938659 /nfs/dbraw/zinc/93/86/59/1086938659.db2.gz OPXQEUSPQGSJRH-OAHLLOKOSA-N 0 1 359.861 4.003 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 ZINC000176832263 1087287742 /nfs/dbraw/zinc/28/77/42/1087287742.db2.gz BTKZTKBEHYPRAZ-UHFFFAOYSA-N 0 1 367.792 4.144 20 30 FIEDMN C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(C)cc(C(F)(F)F)c1)C2 ZINC001143455214 1087383234 /nfs/dbraw/zinc/38/32/34/1087383234.db2.gz SZBVBSXPKKKKRP-OALUTQOASA-N 0 1 369.427 4.340 20 30 FIEDMN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(C)cc(C(F)(F)F)c1)C2 ZINC001143455214 1087383238 /nfs/dbraw/zinc/38/32/38/1087383238.db2.gz SZBVBSXPKKKKRP-OALUTQOASA-N 0 1 369.427 4.340 20 30 FIEDMN Cc1nsc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1C#N ZINC000584427885 1087383566 /nfs/dbraw/zinc/38/35/66/1087383566.db2.gz URXRMIXVGMDRHN-CQSZACIVSA-N 0 1 366.412 4.028 20 30 FIEDMN Cc1nsc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1C#N ZINC000584427885 1087383570 /nfs/dbraw/zinc/38/35/70/1087383570.db2.gz URXRMIXVGMDRHN-CQSZACIVSA-N 0 1 366.412 4.028 20 30 FIEDMN C#CCOc1ccccc1NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000187652824 1087555564 /nfs/dbraw/zinc/55/55/64/1087555564.db2.gz RXJWGROHUZGASG-UHFFFAOYSA-N 0 1 356.332 4.157 20 30 FIEDMN O=C1CSc2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2N1 ZINC000255616081 1087652121 /nfs/dbraw/zinc/65/21/21/1087652121.db2.gz UAFXQIOXLVEEPC-UHFFFAOYSA-N 0 1 353.230 4.494 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)n1 ZINC000892418260 1087688329 /nfs/dbraw/zinc/68/83/29/1087688329.db2.gz QNDNVXYIBNFKLZ-OAHLLOKOSA-N 0 1 371.462 4.313 20 30 FIEDMN Cn1c2ccccc2nc1-c1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188107810 1087698811 /nfs/dbraw/zinc/69/88/11/1087698811.db2.gz KNWIDAVBSHKYGJ-UHFFFAOYSA-N 0 1 368.396 4.070 20 30 FIEDMN N#CC(C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc(C2CC2)cs1 ZINC000647376815 1087798315 /nfs/dbraw/zinc/79/83/15/1087798315.db2.gz ZVWIODPIFNTRNC-DLBZAZTESA-N 0 1 368.458 4.068 20 30 FIEDMN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000424297134 1087903144 /nfs/dbraw/zinc/90/31/44/1087903144.db2.gz PYLAILYOCDQCTG-ZAAXVRCTSA-N 0 1 356.422 4.020 20 30 FIEDMN C=CCCc1ccccc1NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000505016713 1088050832 /nfs/dbraw/zinc/05/08/32/1088050832.db2.gz LGYGUFNAEDGGPH-HXUWFJFHSA-N 0 1 355.457 4.369 20 30 FIEDMN C=CCCc1ccccc1NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000505016712 1088051496 /nfs/dbraw/zinc/05/14/96/1088051496.db2.gz LGYGUFNAEDGGPH-FQEVSTJZSA-N 0 1 355.457 4.369 20 30 FIEDMN CCn1c2ccc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)cc2[nH]c1=O ZINC000659115495 1088124687 /nfs/dbraw/zinc/12/46/87/1088124687.db2.gz ZIAPKZVHCFKCTE-GFCCVEGCSA-N 0 1 368.462 4.006 20 30 FIEDMN N#CCCn1ncc(C(=O)Nc2cccc(Cl)c2O)c1-c1ccccc1 ZINC000430080091 1088971359 /nfs/dbraw/zinc/97/13/59/1088971359.db2.gz UCBSCUZRKMPBKO-UHFFFAOYSA-N 0 1 366.808 4.075 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccccn2)s1)c1ccc(C(F)(F)F)cn1 ZINC000136156633 1089087665 /nfs/dbraw/zinc/08/76/65/1089087665.db2.gz ICZBBNDUDBMGDY-LLVKDONJSA-N 0 1 374.347 4.109 20 30 FIEDMN C=CCC[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccccc1 ZINC000435085990 1089273481 /nfs/dbraw/zinc/27/34/81/1089273481.db2.gz SGICEGXLHFIDFI-ROUUACIJSA-N 0 1 357.523 4.358 20 30 FIEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cnc(C(C)C)s1 ZINC000122429628 1089392823 /nfs/dbraw/zinc/39/28/23/1089392823.db2.gz WAJODJXZYMXWTQ-HNNXBMFYSA-N 0 1 369.490 4.352 20 30 FIEDMN CC(=Cc1ccc(-c2cccs2)cc1F)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435336320 1089542715 /nfs/dbraw/zinc/54/27/15/1089542715.db2.gz OFFWMQCOOSJGFT-DHZHZOJOSA-N 0 1 351.406 4.378 20 30 FIEDMN CC(=Cc1cccc(OCC2CCCCC2)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340864 1089548084 /nfs/dbraw/zinc/54/80/84/1089548084.db2.gz OECHANBCCRMHJU-RVDMUPIBSA-N 0 1 363.461 4.470 20 30 FIEDMN Cn1nccc1C1CCN(C([O-])=[NH+][C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000330176552 1090051659 /nfs/dbraw/zinc/05/16/59/1090051659.db2.gz KAZBWPBDSHJODZ-VQTJNVASSA-N 0 1 366.509 4.240 20 30 FIEDMN CC(=O)Nc1ccc(CC/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000728786378 1091074887 /nfs/dbraw/zinc/07/48/87/1091074887.db2.gz ZZERQTKNJPDNHU-KEBDBYFISA-N 0 1 351.233 4.319 20 30 FIEDMN CCOc1c(CN[C@H]2CCCc3cc(C#N)ccc32)c(C)nn1CC(C)C ZINC000418144223 1091078270 /nfs/dbraw/zinc/07/82/70/1091078270.db2.gz KDXFTPZOVLBFRU-NRFANRHFSA-N 0 1 366.509 4.285 20 30 FIEDMN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1 ZINC000279497351 1091907943 /nfs/dbraw/zinc/90/79/43/1091907943.db2.gz JTFQWAMDERDKBG-KRWDZBQOSA-N 0 1 369.428 4.023 20 30 FIEDMN C#CCOc1ccc(Br)cc1CNCc1cscc1C ZINC000094877301 1091985602 /nfs/dbraw/zinc/98/56/02/1091985602.db2.gz LVYFEZOEHADEAR-UHFFFAOYSA-N 0 1 350.281 4.121 20 30 FIEDMN CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000500613484 1092282309 /nfs/dbraw/zinc/28/23/09/1092282309.db2.gz AVPWJAPKNHJHBY-UHFFFAOYSA-N 0 1 366.808 4.253 20 30 FIEDMN Cc1oc(NC(=O)CN(Cc2cccc(F)c2)C2CCCC2)c(C#N)c1C ZINC000438870195 1092324217 /nfs/dbraw/zinc/32/42/17/1092324217.db2.gz AQRZUQCFRANKFR-UHFFFAOYSA-N 0 1 369.440 4.291 20 30 FIEDMN CCOc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000521107730 1092505643 /nfs/dbraw/zinc/50/56/43/1092505643.db2.gz DBLVLGYCRRGUIK-ZIAGYGMSSA-N 0 1 371.868 4.288 20 30 FIEDMN C=C(C)CN(CCC(=O)Nc1ccccc1C)Cc1cnn(C(C)C)c1 ZINC000512541959 1092697082 /nfs/dbraw/zinc/69/70/82/1092697082.db2.gz JOZMSDPTXOENBH-UHFFFAOYSA-N 0 1 354.498 4.179 20 30 FIEDMN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc2ccccc2o1 ZINC000442882984 1092838289 /nfs/dbraw/zinc/83/82/89/1092838289.db2.gz UANAHDVMXRCIAQ-BEFAXECRSA-N 0 1 359.429 4.151 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1O ZINC000442959686 1092888245 /nfs/dbraw/zinc/88/82/45/1092888245.db2.gz ALWKPDLPTDURCW-UHFFFAOYSA-N 0 1 355.806 4.293 20 30 FIEDMN CCCN(Cc1ccc(C#N)c(OC)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000443067040 1092927213 /nfs/dbraw/zinc/92/72/13/1092927213.db2.gz KVPFHVYMRNCBGO-QGZVFWFLSA-N 0 1 365.477 4.115 20 30 FIEDMN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(C#N)cc1F ZINC000512662127 1093101135 /nfs/dbraw/zinc/10/11/35/1093101135.db2.gz VRHKPOFEUKSEPG-YEJXKQKISA-N 0 1 352.409 4.270 20 30 FIEDMN C=C(CNC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1)c1ccccc1 ZINC000512680851 1093133501 /nfs/dbraw/zinc/13/35/01/1093133501.db2.gz GPTCBDYWRNTFLQ-FQEVSTJZSA-N 0 1 360.461 4.431 20 30 FIEDMN C=C(CNC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000512681969 1093134304 /nfs/dbraw/zinc/13/43/04/1093134304.db2.gz RZNDHCYMMXVEDU-IBGZPJMESA-N 0 1 373.460 4.032 20 30 FIEDMN C=C(CNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000512681969 1093134307 /nfs/dbraw/zinc/13/43/07/1093134307.db2.gz RZNDHCYMMXVEDU-IBGZPJMESA-N 0 1 373.460 4.032 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc3ccccc3o2)cc(OC)c1C(C)C ZINC000512717330 1093194192 /nfs/dbraw/zinc/19/41/92/1093194192.db2.gz WINUVRDOQVOPBN-AWEZNQCLSA-N 0 1 364.401 4.458 20 30 FIEDMN COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc(OC)c1C(C)C ZINC000512717330 1093194194 /nfs/dbraw/zinc/19/41/94/1093194194.db2.gz WINUVRDOQVOPBN-AWEZNQCLSA-N 0 1 364.401 4.458 20 30 FIEDMN COC(=O)c1ccc(-c2ccc(CN[C@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000614242989 1093282243 /nfs/dbraw/zinc/28/22/43/1093282243.db2.gz RGNAXEGEWADTON-OAHLLOKOSA-N 0 1 360.413 4.456 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)c1 ZINC000067178336 1093336227 /nfs/dbraw/zinc/33/62/27/1093336227.db2.gz DLLWTCBMMCHWGQ-UHFFFAOYSA-N 0 1 367.430 4.205 20 30 FIEDMN C=CCc1cc(OCC)cc(CN2C[C@@H](c3ccccc3)OC[C@H]2C)c1O ZINC000727430150 1093362700 /nfs/dbraw/zinc/36/27/00/1093362700.db2.gz OFOMCGHZHXWBSX-VGSWGCGISA-N 0 1 367.489 4.481 20 30 FIEDMN C[C@@H]1CCN[C@H](c2nc(-c3ccc(Oc4ccc(C#N)cc4)cc3)no2)C1 ZINC001211880501 1093443280 /nfs/dbraw/zinc/44/32/80/1093443280.db2.gz HRLUKHZLYAXRDJ-KUHUBIRLSA-N 0 1 360.417 4.461 20 30 FIEDMN Cc1cc(OC(C)C)ccc1Nc1ccc(N2CCN(C)CC2)c(C#N)c1 ZINC001211815907 1093581630 /nfs/dbraw/zinc/58/16/30/1093581630.db2.gz POEVGWYQSLADKP-UHFFFAOYSA-N 0 1 364.493 4.149 20 30 FIEDMN COc1cccc(CCN(C)Cc2ccc(Br)cc2C#N)c1 ZINC001141814837 1093583955 /nfs/dbraw/zinc/58/39/55/1093583955.db2.gz QSNQZAUIJZDYDA-UHFFFAOYSA-N 0 1 359.267 4.004 20 30 FIEDMN CCOc1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)ccc1C ZINC000114619067 1093659781 /nfs/dbraw/zinc/65/97/81/1093659781.db2.gz UEQMHDSGEKPKAG-INIZCTEOSA-N 0 1 363.442 4.402 20 30 FIEDMN COc1cc(CN[C@H](C)c2ccc(Br)cc2F)ccc1C#N ZINC000513080850 1093783215 /nfs/dbraw/zinc/78/32/15/1093783215.db2.gz CYWDFOGPRGUWLY-LLVKDONJSA-N 0 1 363.230 4.319 20 30 FIEDMN C=C(C)CN(CC)C(=O)CSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000614385761 1093802167 /nfs/dbraw/zinc/80/21/67/1093802167.db2.gz DFUCQZMDSXXTJL-UHFFFAOYSA-N 0 1 357.401 4.098 20 30 FIEDMN Cc1cc(C#N)ccc1CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000614397639 1093815278 /nfs/dbraw/zinc/81/52/78/1093815278.db2.gz LKJHARCRBVOTLJ-MOPGFXCFSA-N 0 1 361.272 4.264 20 30 FIEDMN COC(=O)c1csc([C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000576417875 1093816905 /nfs/dbraw/zinc/81/69/05/1093816905.db2.gz WPSQSUDPHWYFFC-LBPRGKRZSA-N 0 1 367.392 4.256 20 30 FIEDMN COCCOCc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000576551801 1093949078 /nfs/dbraw/zinc/94/90/78/1093949078.db2.gz OMYNWFQFDQWXSF-DHIUTWEWSA-N 0 1 364.489 4.121 20 30 FIEDMN C[C@H]1C[C@@H](c2ccccc2)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000513237235 1094031320 /nfs/dbraw/zinc/03/13/20/1094031320.db2.gz WOKKFFQCMBNKRH-LIRRHRJNSA-N 0 1 353.853 4.233 20 30 FIEDMN C[C@H]1C[C@H](c2ccccc2)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000513237233 1094031643 /nfs/dbraw/zinc/03/16/43/1094031643.db2.gz WOKKFFQCMBNKRH-IFXJQAMLSA-N 0 1 353.853 4.233 20 30 FIEDMN Cc1c(C#N)cccc1C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000513327170 1094061250 /nfs/dbraw/zinc/06/12/50/1094061250.db2.gz CKIZELMXWADPPL-JOCHJYFZSA-N 0 1 366.424 4.262 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN(C)C1Cc2ccccc2C1 ZINC000513430567 1094119499 /nfs/dbraw/zinc/11/94/99/1094119499.db2.gz VPBWAHXJQYCAMU-UHFFFAOYSA-N 0 1 352.503 4.002 20 30 FIEDMN COc1cc(C#N)ccc1CN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000501234182 1094573499 /nfs/dbraw/zinc/57/34/99/1094573499.db2.gz NSKFVXQVLRRXKD-UHFFFAOYSA-N 0 1 361.420 4.477 20 30 FIEDMN Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)on1 ZINC000329039498 1094720977 /nfs/dbraw/zinc/72/09/77/1094720977.db2.gz ZWTZGZUEIYLYOU-HNNXBMFYSA-N 0 1 370.478 4.220 20 30 FIEDMN Cc1cc([C@@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCC3)on1 ZINC000329039498 1094720992 /nfs/dbraw/zinc/72/09/92/1094720992.db2.gz ZWTZGZUEIYLYOU-HNNXBMFYSA-N 0 1 370.478 4.220 20 30 FIEDMN Cc1cc(C)cc(C2=CCN(C(=O)N[C@@H]3CCCc4cn[nH]c43)CC2)c1 ZINC000329102663 1094740202 /nfs/dbraw/zinc/74/02/02/1094740202.db2.gz NJCZNASRQJGYOB-LJQANCHMSA-N 0 1 350.466 4.107 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1 ZINC000501531038 1094755821 /nfs/dbraw/zinc/75/58/21/1094755821.db2.gz KGMJEGITNIISQY-INIZCTEOSA-N 0 1 369.534 4.065 20 30 FIEDMN C[C@H]1CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC12CCC2 ZINC000329161004 1094761200 /nfs/dbraw/zinc/76/12/00/1094761200.db2.gz YRNFGUWSVMGXFL-HNNXBMFYSA-N 0 1 355.482 4.254 20 30 FIEDMN COc1cccc(NC2CCN([C@@H](C)C(=O)NC3CCC(C)CC3)CC2)c1 ZINC000329200572 1094778888 /nfs/dbraw/zinc/77/88/88/1094778888.db2.gz BNQMSMNJQSYTIW-ADKAHSJRSA-N 0 1 373.541 4.495 20 30 FIEDMN CCCN(CCc1ccccn1)Cc1cc(Br)ccc1C#N ZINC001141905010 1094859922 /nfs/dbraw/zinc/85/99/22/1094859922.db2.gz MNTMMNQMJAGFPG-UHFFFAOYSA-N 0 1 358.283 4.170 20 30 FIEDMN Cc1ccc(NC(=O)c2nnc(CN3CC[C@@H](C)C4(CCC4)C3)s2)cc1 ZINC000329382116 1094874230 /nfs/dbraw/zinc/87/42/30/1094874230.db2.gz OFVILOQQKNRSAT-OAHLLOKOSA-N 0 1 370.522 4.495 20 30 FIEDMN Cc1ccc(NC(=O)c2nnc(CN3CC[C@H](C)C4(CCC4)C3)s2)cc1 ZINC000329382111 1094874291 /nfs/dbraw/zinc/87/42/91/1094874291.db2.gz OFVILOQQKNRSAT-HNNXBMFYSA-N 0 1 370.522 4.495 20 30 FIEDMN Cc1csc(-c2cccc(NC(=O)N3CCCC[C@H]3c3nnc[nH]3)c2)n1 ZINC000329526660 1094952051 /nfs/dbraw/zinc/95/20/51/1094952051.db2.gz TVKGTMQZWOKJAU-HNNXBMFYSA-N 0 1 368.466 4.009 20 30 FIEDMN O=C(NC(C1CC1)C1CC1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329585571 1094985074 /nfs/dbraw/zinc/98/50/74/1094985074.db2.gz WLSIKGSENDZOOR-KRWDZBQOSA-N 0 1 371.529 4.134 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C2CCCC2)C1 ZINC000420963462 1095204105 /nfs/dbraw/zinc/20/41/05/1095204105.db2.gz NOJZWNUMHUFSOJ-AEFFLSMTSA-N 0 1 371.550 4.389 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NC[C@@H]3CCCCS3)[nH]c2c1 ZINC000329725352 1095220880 /nfs/dbraw/zinc/22/08/80/1095220880.db2.gz DLCGOPUFRBUBAL-YOEHRIQHSA-N 0 1 358.511 4.208 20 30 FIEDMN CCc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCc4c3cccc4O)C2)n1 ZINC000329776461 1095260836 /nfs/dbraw/zinc/26/08/36/1095260836.db2.gz ODIZRHXZSWKQFG-DYVFJYSZSA-N 0 1 371.506 4.192 20 30 FIEDMN Cc1ccc(NC(=O)CN2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)c(F)c1 ZINC000329830763 1095283607 /nfs/dbraw/zinc/28/36/07/1095283607.db2.gz JWEMMTYVHYBVTR-MRXNPFEDSA-N 0 1 359.449 4.191 20 30 FIEDMN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1CCC[C@@]1(C)Cc1ccccc1)CCC2 ZINC000329866997 1095298153 /nfs/dbraw/zinc/29/81/53/1095298153.db2.gz VJEUCERKAWUJEJ-UGKGYDQZSA-N 0 1 366.509 4.080 20 30 FIEDMN CC(C)c1ccc2c(c1)[C@H]([NH+]=C([O-])N1CCC(c3cnn(C)c3)CC1)CC2 ZINC000329968670 1095333647 /nfs/dbraw/zinc/33/36/47/1095333647.db2.gz WUYKJPKNUWTDOY-OAQYLSRUSA-N 0 1 366.509 4.324 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CCC[C@H]1c1ccccc1)CC2 ZINC000330026227 1095355101 /nfs/dbraw/zinc/35/51/01/1095355101.db2.gz BKMVUNOFFZZBJR-MOPGFXCFSA-N 0 1 352.482 4.072 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CCC[C@@]3(CC=CCC3)C1)CC2 ZINC000330053479 1095363194 /nfs/dbraw/zinc/36/31/94/1095363194.db2.gz QMMAIDSQLREVHS-NQIIRXRSSA-N 0 1 356.514 4.058 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H]([NH+]=C([O-])N(CC1CCCCC1)C1CC1)CC2 ZINC000330058706 1095364720 /nfs/dbraw/zinc/36/47/20/1095364720.db2.gz ZJSBIOQVMXOUTH-SFHVURJKSA-N 0 1 358.530 4.280 20 30 FIEDMN C[C@@H]1C[C@@H]1[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1 ZINC000330100424 1095382338 /nfs/dbraw/zinc/38/23/38/1095382338.db2.gz DNSIKCJONNBHGU-GLZXHMCRSA-N 0 1 358.873 4.341 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000330140444 1095392613 /nfs/dbraw/zinc/39/26/13/1095392613.db2.gz PKYGZSDXACVMJI-MOPGFXCFSA-N 0 1 350.466 4.243 20 30 FIEDMN CC(C)Cn1ccc2cc(NC(=O)N[C@@H]3CCCc4cn[nH]c43)ccc21 ZINC000330154091 1095396036 /nfs/dbraw/zinc/39/60/36/1095396036.db2.gz NFINMIXUSSBUJS-QGZVFWFLSA-N 0 1 351.454 4.424 20 30 FIEDMN O=C(N[C@@H]1CCn2ccnc2C1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000330278644 1095446099 /nfs/dbraw/zinc/44/60/99/1095446099.db2.gz PXCPWDRQTLWWPU-QZTJIDSGSA-N 0 1 372.900 4.383 20 30 FIEDMN CC(C)c1ccc([C@@H]2CCCCN2C([O-])=[NH+][C@H]2CCn3ccnc3C2)cc1 ZINC000330279075 1095446327 /nfs/dbraw/zinc/44/63/27/1095446327.db2.gz QMEGYZZAGWHXJF-PMACEKPBSA-N 0 1 366.509 4.463 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2cc(F)c(Br)c(Cl)c2)n1 ZINC000513745725 1095463150 /nfs/dbraw/zinc/46/31/50/1095463150.db2.gz FRCWBAZGCGIHET-QMMMGPOBSA-N 0 1 373.634 4.497 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(F)c(Br)c(Cl)c2)n1 ZINC000513745725 1095463157 /nfs/dbraw/zinc/46/31/57/1095463157.db2.gz FRCWBAZGCGIHET-QMMMGPOBSA-N 0 1 373.634 4.497 20 30 FIEDMN COc1cc(C)c(Br)cc1C(=O)C(C#N)c1nc(C)cs1 ZINC000513746087 1095506958 /nfs/dbraw/zinc/50/69/58/1095506958.db2.gz NTNXZPFRESVMDA-NSHDSACASA-N 0 1 365.252 4.021 20 30 FIEDMN Cc1cccc2nc(CNC(=O)c3cn(CCCC#N)c4ccccc34)[nH]c21 ZINC000444267375 1095916767 /nfs/dbraw/zinc/91/67/67/1095916767.db2.gz KKAQKJNDYGDYID-UHFFFAOYSA-N 0 1 371.444 4.060 20 30 FIEDMN CCOCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271878074 1096136610 /nfs/dbraw/zinc/13/66/10/1096136610.db2.gz OSEISJYNXULCDY-SFHVURJKSA-N 0 1 368.477 4.164 20 30 FIEDMN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000436287814 1098903328 /nfs/dbraw/zinc/90/33/28/1098903328.db2.gz CTDNFAGKBQVLQP-NDXORKPFSA-N 0 1 370.449 4.410 20 30 FIEDMN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000436287807 1098903422 /nfs/dbraw/zinc/90/34/22/1098903422.db2.gz CTDNFAGKBQVLQP-CZAAIQMYSA-N 0 1 370.449 4.410 20 30 FIEDMN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000436287810 1098903761 /nfs/dbraw/zinc/90/37/61/1098903761.db2.gz CTDNFAGKBQVLQP-DQLDELGASA-N 0 1 370.449 4.410 20 30 FIEDMN C=CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1F ZINC000533252200 1098912635 /nfs/dbraw/zinc/91/26/35/1098912635.db2.gz RPSQLPQQOVMGLH-UHFFFAOYSA-N 0 1 371.412 4.059 20 30 FIEDMN COC(=O)c1cc(F)ccc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000505803067 1098980129 /nfs/dbraw/zinc/98/01/29/1098980129.db2.gz QZOASOQHEWWDTL-UHFFFAOYSA-N 0 1 354.425 4.142 20 30 FIEDMN CN(CCC#N)c1ccc(CN[C@H](c2ccccc2)c2ccncc2)cc1 ZINC000078378684 1099531956 /nfs/dbraw/zinc/53/19/56/1099531956.db2.gz FMMVJUXSTKQZBG-HSZRJFAPSA-N 0 1 356.473 4.311 20 30 FIEDMN CCCCCOc1cc(C)ccc1CNCc1cnc2ccc(C#N)cn12 ZINC000152515425 1099594964 /nfs/dbraw/zinc/59/49/64/1099594964.db2.gz YVFAUDVZGFKAHQ-UHFFFAOYSA-N 0 1 362.477 4.373 20 30 FIEDMN N#Cc1ccc(CN(CCO)[C@H]2CCCc3ccccc32)c(OC(F)F)c1 ZINC000437135594 1099632200 /nfs/dbraw/zinc/63/22/00/1099632200.db2.gz HVCJHZQNGAECJG-IBGZPJMESA-N 0 1 372.415 4.032 20 30 FIEDMN CCCOc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1OCCC ZINC000615092159 1099695560 /nfs/dbraw/zinc/69/55/60/1099695560.db2.gz CPUREUCXJZBQCY-MRXNPFEDSA-N 0 1 353.466 4.382 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1C ZINC000516714147 1099750085 /nfs/dbraw/zinc/75/00/85/1099750085.db2.gz QYGXOSXKOQCVBI-QGZVFWFLSA-N 0 1 360.442 4.127 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc(-c2ccccc2)ns1 ZINC000437552496 1099982529 /nfs/dbraw/zinc/98/25/29/1099982529.db2.gz ANPRQQIBSPKOMJ-AWEZNQCLSA-N 0 1 358.426 4.187 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cc(-c2ccccc2)ns1 ZINC000437552496 1099982533 /nfs/dbraw/zinc/98/25/33/1099982533.db2.gz ANPRQQIBSPKOMJ-AWEZNQCLSA-N 0 1 358.426 4.187 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)[C@@H](C)C2(C)CC2)c1C#N ZINC000437543109 1099987322 /nfs/dbraw/zinc/98/73/22/1099987322.db2.gz ZDTOOCLRSPBUGG-INIZCTEOSA-N 0 1 356.514 4.151 20 30 FIEDMN CC[C@@H](C)c1nc([C@H](C)Nc2cc(Br)c(C#N)cc2F)n[nH]1 ZINC000517041681 1100010737 /nfs/dbraw/zinc/01/07/37/1100010737.db2.gz XRBBFTUOTZECHU-BDAKNGLRSA-N 0 1 366.238 4.265 20 30 FIEDMN C=CCOc1ccc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)cc1 ZINC000438349107 1100607749 /nfs/dbraw/zinc/60/77/49/1100607749.db2.gz VNWWOPCFMXZOQL-UHFFFAOYSA-N 0 1 350.462 4.475 20 30 FIEDMN N#Cc1ccc(CN2CC[C@H](COCc3ccccc3)C2)c(OC(F)F)c1 ZINC000437880726 1101089434 /nfs/dbraw/zinc/08/94/34/1101089434.db2.gz GYMWRVLDIXSPKO-SFHVURJKSA-N 0 1 372.415 4.198 20 30 FIEDMN Cc1cccc2nc(CCC(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)[nH]c21 ZINC000426280431 1101163026 /nfs/dbraw/zinc/16/30/26/1101163026.db2.gz LYQWZCMPVRVUFA-IBGZPJMESA-N 0 1 374.488 4.483 20 30 FIEDMN C=CCN(CCc1ccccc1)C(=O)c1cccc(Br)c1O ZINC000518544223 1101286749 /nfs/dbraw/zinc/28/67/49/1101286749.db2.gz AVOMNEDZOUUVJE-UHFFFAOYSA-N 0 1 360.251 4.026 20 30 FIEDMN C[C@H]1C[C@H](c2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000439316534 1101326773 /nfs/dbraw/zinc/32/67/73/1101326773.db2.gz LGFUGFGCXXIUBY-PZJWPPBQSA-N 0 1 361.489 4.201 20 30 FIEDMN CC(C)(C)N1CC[C@H](Nc2cc(C#N)ncn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518669199 1101402288 /nfs/dbraw/zinc/40/22/88/1101402288.db2.gz DYFLBIRIIZXIIY-WMZOPIPTSA-N 0 1 373.863 4.167 20 30 FIEDMN COc1ccccc1COC1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439447444 1101451648 /nfs/dbraw/zinc/45/16/48/1101451648.db2.gz YJEMFHSIULHLBW-UHFFFAOYSA-N 0 1 370.880 4.401 20 30 FIEDMN CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)CCO2 ZINC000180542662 1101578726 /nfs/dbraw/zinc/57/87/26/1101578726.db2.gz NONBCDMBOHVTCY-QRWLVFNGSA-N 0 1 352.434 4.162 20 30 FIEDMN C=CCCC1(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000475762057 1101645184 /nfs/dbraw/zinc/64/51/84/1101645184.db2.gz STQXKJMNEDUMPF-UHFFFAOYSA-N 0 1 360.929 4.415 20 30 FIEDMN N#Cc1ccc(CN[C@@H](c2ccc(Br)cc2)C2CCC2)nc1 ZINC000519176650 1101975416 /nfs/dbraw/zinc/97/54/16/1101975416.db2.gz DXWJHNQKUBVRTH-GOSISDBHSA-N 0 1 356.267 4.347 20 30 FIEDMN C=CCOc1ccc(C(F)(F)F)cc1-c1nc(C2(N)CCCC2)no1 ZINC000262005244 1102000825 /nfs/dbraw/zinc/00/08/25/1102000825.db2.gz UNSSBOKLOAFCTH-UHFFFAOYSA-N 0 1 353.344 4.048 20 30 FIEDMN Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc(C#N)c(C)c2)cs1 ZINC000475827090 1102023959 /nfs/dbraw/zinc/02/39/59/1102023959.db2.gz ITNNRPKHCPCPMA-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN COc1cccc(-c2cc(CNCc3ccc(C4(C#N)CC4)cc3)on2)c1 ZINC000897841077 1102142414 /nfs/dbraw/zinc/14/24/14/1102142414.db2.gz HMWFIGXMNMNUDW-UHFFFAOYSA-N 0 1 359.429 4.195 20 30 FIEDMN CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)N(C)C ZINC000426650801 1102249010 /nfs/dbraw/zinc/24/90/10/1102249010.db2.gz GTMBVUJUYUOBJL-IBGZPJMESA-N 0 1 355.413 4.014 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC(c3ccncc3)CC2)c1 ZINC000191612955 1102321385 /nfs/dbraw/zinc/32/13/85/1102321385.db2.gz JYWZQILGYONUFY-UHFFFAOYSA-N 0 1 356.267 4.095 20 30 FIEDMN CCc1nc(C(C)C)ccc1CN(CCOC)Cc1ccc(C#N)cc1 ZINC000519545954 1102374389 /nfs/dbraw/zinc/37/43/89/1102374389.db2.gz AZDJQQJDEMYVIO-UHFFFAOYSA-N 0 1 351.494 4.288 20 30 FIEDMN C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000532519850 1102451511 /nfs/dbraw/zinc/45/15/11/1102451511.db2.gz RWTSNTADFHBPLE-GJZGRUSLSA-N 0 1 367.518 4.171 20 30 FIEDMN C[C@@H](CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000532519850 1102451520 /nfs/dbraw/zinc/45/15/20/1102451520.db2.gz RWTSNTADFHBPLE-GJZGRUSLSA-N 0 1 367.518 4.171 20 30 FIEDMN C[C@@H](CCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O)OCc1ccccc1 ZINC000473676446 1102501370 /nfs/dbraw/zinc/50/13/70/1102501370.db2.gz OSYYOZJPCGKCCI-INIZCTEOSA-N 0 1 355.482 4.338 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1occc1COc1ccccc1 ZINC000122171478 1102538115 /nfs/dbraw/zinc/53/81/15/1102538115.db2.gz CUVIFBHOYPIVQY-KRWDZBQOSA-N 0 1 371.396 4.235 20 30 FIEDMN Cn1cc(C=NNc2ccc(C(F)(F)F)cn2)c(C2CCCCC2)n1 ZINC000783790030 1102600029 /nfs/dbraw/zinc/60/00/29/1102600029.db2.gz OHRBYAZCJDSVNJ-UHFFFAOYSA-N 0 1 351.376 4.328 20 30 FIEDMN CCCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000053643543 1102635681 /nfs/dbraw/zinc/63/56/81/1102635681.db2.gz PAVICOFVKLIYDD-YCRPNKLZSA-N 0 1 353.466 4.014 20 30 FIEDMN N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1c1ccccc1Cl ZINC000053278440 1102652215 /nfs/dbraw/zinc/65/22/15/1102652215.db2.gz IHAWSXZZZVLOES-INIZCTEOSA-N 0 1 359.882 4.439 20 30 FIEDMN C=C[C@H](CC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000122979374 1102703914 /nfs/dbraw/zinc/70/39/14/1102703914.db2.gz CFKSWCKUFFSBTN-UYAOXDASSA-N 0 1 352.478 4.283 20 30 FIEDMN Cc1ccccc1-c1cccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)c1 ZINC000729635880 1102806921 /nfs/dbraw/zinc/80/69/21/1102806921.db2.gz QUBSYBFYECSIBZ-UHFFFAOYSA-N 0 1 362.380 4.443 20 30 FIEDMN C=CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCCCC1 ZINC000112210709 1102807945 /nfs/dbraw/zinc/80/79/45/1102807945.db2.gz JIYNQJZIFFWNGS-UHFFFAOYSA-N 0 1 356.426 4.213 20 30 FIEDMN CC(C)(C)OC(=O)Nc1ccsc1CNCc1ccc(C#N)c(F)c1 ZINC000894775055 1102846090 /nfs/dbraw/zinc/84/60/90/1102846090.db2.gz CTZVSKZQAGAOAF-UHFFFAOYSA-N 0 1 361.442 4.396 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000130704369 1102848196 /nfs/dbraw/zinc/84/81/96/1102848196.db2.gz VLCVUNMFFJCOJK-CYBMUJFWSA-N 0 1 363.446 4.118 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000520826349 1102972664 /nfs/dbraw/zinc/97/26/64/1102972664.db2.gz OPXWNKWODMFOJF-ZDUSSCGKSA-N 0 1 363.442 4.032 20 30 FIEDMN COc1ccc(CNCc2cccc(Cl)c2OC)cc1OCCCC#N ZINC000897483241 1102997820 /nfs/dbraw/zinc/99/78/20/1102997820.db2.gz MVKKDOCEGRSMSN-UHFFFAOYSA-N 0 1 374.868 4.330 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(C)c(OC)c2)no1 ZINC001211975444 1103132207 /nfs/dbraw/zinc/13/22/07/1103132207.db2.gz HCIVEUKXIUWOAQ-MSOLQXFVSA-N 0 1 373.497 4.132 20 30 FIEDMN N#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2c2nc3ccccc3o2)cc1 ZINC000532744613 1103157225 /nfs/dbraw/zinc/15/72/25/1103157225.db2.gz UBIOILKHJNZJNU-LJQANCHMSA-N 0 1 374.444 4.255 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2cccnc2-c2ccccc2)cc1Cl ZINC000532844184 1103267829 /nfs/dbraw/zinc/26/78/29/1103267829.db2.gz CQOVKPUPKPJHNS-UHFFFAOYSA-N 0 1 369.833 4.074 20 30 FIEDMN C[C@@H](c1ccc(OC(F)F)cc1)N1CCN(c2ccccc2C#N)CC1 ZINC000507281006 1103272495 /nfs/dbraw/zinc/27/24/95/1103272495.db2.gz FLUJVZGFFBOGFO-HNNXBMFYSA-N 0 1 357.404 4.043 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1Cl ZINC000120853520 1103445698 /nfs/dbraw/zinc/44/56/98/1103445698.db2.gz VOVRBMWMMBWNPZ-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN N#Cc1cccc(CN[C@H]2CCCOc3c(Br)cccc32)c1 ZINC000151378227 1103599618 /nfs/dbraw/zinc/59/96/18/1103599618.db2.gz RPMWYJSZGMHCEN-KRWDZBQOSA-N 0 1 357.251 4.324 20 30 FIEDMN COc1cc(CN2CCC(C)(C#N)CC2)ccc1OCc1ccccc1 ZINC000507699950 1103628095 /nfs/dbraw/zinc/62/80/95/1103628095.db2.gz VLCWGCKYIDOQNY-UHFFFAOYSA-N 0 1 350.462 4.400 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)cc1O ZINC000461105932 1104104085 /nfs/dbraw/zinc/10/40/85/1104104085.db2.gz DOHJNTGLHIOMQB-UHFFFAOYSA-N 0 1 355.806 4.293 20 30 FIEDMN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1CC[C@H](c3ccccc3)[C@H](C)C1)CCC2 ZINC000328660395 1104527809 /nfs/dbraw/zinc/52/78/09/1104527809.db2.gz VHJIWSOYYAFGES-UXPWSPDFSA-N 0 1 366.509 4.109 20 30 FIEDMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000328684293 1104536205 /nfs/dbraw/zinc/53/62/05/1104536205.db2.gz DYNKVCKWWVRKDG-GJZGRUSLSA-N 0 1 364.449 4.121 20 30 FIEDMN C[C@H](C(=O)NC1CCCC1)N1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000328687446 1104537766 /nfs/dbraw/zinc/53/77/66/1104537766.db2.gz GZPXGMZZFHTVIL-KUHUBIRLSA-N 0 1 355.482 4.371 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)N=c3[nH]c4cc(F)c(C)cc4s3)C2)n[nH]1 ZINC000328743129 1104547317 /nfs/dbraw/zinc/54/73/17/1104547317.db2.gz NERJTIOJJZUXKQ-LBPRGKRZSA-N 0 1 373.457 4.200 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3CC(C)(C)Cc4oc(C)cc43)C2)n[nH]1 ZINC000328752832 1104549830 /nfs/dbraw/zinc/54/98/30/1104549830.db2.gz SARGLDAWDKMARE-QAPCUYQASA-N 0 1 370.497 4.427 20 30 FIEDMN Cc1cccc(C2(CNC(=O)[C@@H]3CCc4[nH]nnc4C3)CCCCC2)c1 ZINC000328794891 1104569288 /nfs/dbraw/zinc/56/92/88/1104569288.db2.gz STYCOPHEJZEVHZ-MRXNPFEDSA-N 0 1 352.482 4.077 20 30 FIEDMN Cc1cccc(C2(CNC(=O)[C@@H]3CCc4nn[nH]c4C3)CCCCC2)c1 ZINC000328794891 1104569294 /nfs/dbraw/zinc/56/92/94/1104569294.db2.gz STYCOPHEJZEVHZ-MRXNPFEDSA-N 0 1 352.482 4.077 20 30 FIEDMN Cc1cccc(C2(CNC(=O)[C@H]3CCc4[nH]nnc4C3)CCCCC2)c1 ZINC000328794888 1104569326 /nfs/dbraw/zinc/56/93/26/1104569326.db2.gz STYCOPHEJZEVHZ-INIZCTEOSA-N 0 1 352.482 4.077 20 30 FIEDMN Cc1cccc(C2(CNC(=O)[C@H]3CCc4nn[nH]c4C3)CCCCC2)c1 ZINC000328794888 1104569333 /nfs/dbraw/zinc/56/93/33/1104569333.db2.gz STYCOPHEJZEVHZ-INIZCTEOSA-N 0 1 352.482 4.077 20 30 FIEDMN [O-]C(=[NH+]CCc1cnc(C2CC2)nc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000328859361 1104579910 /nfs/dbraw/zinc/57/99/10/1104579910.db2.gz LDFDILOLSUECIU-IBGZPJMESA-N 0 1 364.493 4.080 20 30 FIEDMN O=C(NCC1(c2cccc(Cl)c2)CCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000328933504 1104593874 /nfs/dbraw/zinc/59/38/74/1104593874.db2.gz IOMJSTIIKOINDQ-ZDUSSCGKSA-N 0 1 358.873 4.032 20 30 FIEDMN O=C(NCC1(c2cccc(Cl)c2)CCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000328933504 1104593881 /nfs/dbraw/zinc/59/38/81/1104593881.db2.gz IOMJSTIIKOINDQ-ZDUSSCGKSA-N 0 1 358.873 4.032 20 30 FIEDMN Cn1c2c(nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(F)c1)CCCC2 ZINC000328915779 1104600436 /nfs/dbraw/zinc/60/04/36/1104600436.db2.gz ACTPIUJYIZIPDV-IBGZPJMESA-N 0 1 370.472 4.253 20 30 FIEDMN Cn1c2c(nc1[C@@H]1CCCN1CCC(=O)Nc1cccc(F)c1)CCCC2 ZINC000328915779 1104600440 /nfs/dbraw/zinc/60/04/40/1104600440.db2.gz ACTPIUJYIZIPDV-IBGZPJMESA-N 0 1 370.472 4.253 20 30 FIEDMN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000441435642 1104656341 /nfs/dbraw/zinc/65/63/41/1104656341.db2.gz FHIDUKJADUSJIG-MSOLQXFVSA-N 0 1 368.481 4.024 20 30 FIEDMN C[C@@H](N)c1ncc(-c2nc(-c3ccc(C(C)(C)C)cc3C#N)no2)s1 ZINC001213208402 1104680674 /nfs/dbraw/zinc/68/06/74/1104680674.db2.gz WVRZRUVTJZIDNP-SNVBAGLBSA-N 0 1 353.451 4.049 20 30 FIEDMN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000331241773 1104711781 /nfs/dbraw/zinc/71/17/81/1104711781.db2.gz QJOSOQHCSKIOMO-PWSUYJOCSA-N 0 1 373.280 4.087 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]2CCC[C@@H]21 ZINC000072693720 1104784274 /nfs/dbraw/zinc/78/42/74/1104784274.db2.gz GSTBQHQEEUPKSM-NUJGCVRESA-N 0 1 357.523 4.141 20 30 FIEDMN N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000459022313 1104865175 /nfs/dbraw/zinc/86/51/75/1104865175.db2.gz XTBKPBIHXIFORY-RVSPLBMKSA-N 0 1 371.872 4.145 20 30 FIEDMN C=CCc1cc(CN(Cc2ccc(O)c(OC)c2)C2CC2)cc(OC)c1O ZINC000190015494 1104871279 /nfs/dbraw/zinc/87/12/79/1104871279.db2.gz OAQBNQNJCHDJCJ-UHFFFAOYSA-N 0 1 369.461 4.008 20 30 FIEDMN CCN(Cc1c[nH]c2ccccc12)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000190496749 1104896433 /nfs/dbraw/zinc/89/64/33/1104896433.db2.gz OEJRIMZSTDSYDG-GOSISDBHSA-N 0 1 374.488 4.325 20 30 FIEDMN C=CCC[C@H](C(=O)NCCc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000190004439 1104919572 /nfs/dbraw/zinc/91/95/72/1104919572.db2.gz ZYBWUQMATQVMSF-KRWDZBQOSA-N 0 1 351.425 4.111 20 30 FIEDMN Cc1cccc([C@@H](C)N2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000441553551 1104982861 /nfs/dbraw/zinc/98/28/61/1104982861.db2.gz ULMYPTDBCYKUSG-GOSISDBHSA-N 0 1 356.473 4.298 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)[nH]n2)o1 ZINC000170977176 1104987570 /nfs/dbraw/zinc/98/75/70/1104987570.db2.gz RYZXUQUCIHORAK-LBPRGKRZSA-N 0 1 366.446 4.482 20 30 FIEDMN C=CCC[C@@H](NC(=O)Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000441586606 1105006226 /nfs/dbraw/zinc/00/62/26/1105006226.db2.gz FLPIHKAOKBTLIP-MRXNPFEDSA-N 0 1 351.372 4.103 20 30 FIEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444353762 1106894801 /nfs/dbraw/zinc/89/48/01/1106894801.db2.gz UTSMIHLUKRYSJL-UHFFFAOYSA-N 0 1 357.364 4.167 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3C#N)[nH]c2c1 ZINC000530722336 1107284046 /nfs/dbraw/zinc/28/40/46/1107284046.db2.gz ZGHBDPHRQSXEQV-GOSISDBHSA-N 0 1 363.396 4.251 20 30 FIEDMN C=C(C)CN1CCC(Nc2nnc(Cc3ccc(Cl)cc3)s2)CC1 ZINC000302383937 1107360508 /nfs/dbraw/zinc/36/05/08/1107360508.db2.gz CBWNVFDWMZYQSQ-UHFFFAOYSA-N 0 1 362.930 4.235 20 30 FIEDMN C=CCN(C(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1nc2c(s1)CCCC2 ZINC000444454930 1107913061 /nfs/dbraw/zinc/91/30/61/1107913061.db2.gz QEVJFYXXUMQHEG-UHFFFAOYSA-N 0 1 368.462 4.146 20 30 FIEDMN C[C@H](NCCOc1cccc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000444665929 1108068044 /nfs/dbraw/zinc/06/80/44/1108068044.db2.gz RGBYUISRGPTRMA-ZDUSSCGKSA-N 0 1 356.376 4.033 20 30 FIEDMN CN(CC(=O)c1cn(CCC#N)c2ccccc12)CC1(c2ccccc2)CC1 ZINC000444679330 1108081377 /nfs/dbraw/zinc/08/13/77/1108081377.db2.gz AMACRZPIGWNLTG-UHFFFAOYSA-N 0 1 371.484 4.401 20 30 FIEDMN CC(C)[C@@H]1CCCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000444773057 1108169203 /nfs/dbraw/zinc/16/92/03/1108169203.db2.gz QBMGFNJWRILAJX-IAGOWNOFSA-N 0 1 359.539 4.245 20 30 FIEDMN C=CC[C@@H]1N(Cc2csc(CC(=O)OC(C)C)n2)CCCC1(C)C ZINC000444786212 1108186014 /nfs/dbraw/zinc/18/60/14/1108186014.db2.gz UGHONEKXOGFTQF-INIZCTEOSA-N 0 1 350.528 4.204 20 30 FIEDMN CCCN(CC(=O)N(CC)C[C@@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000531841945 1108253981 /nfs/dbraw/zinc/25/39/81/1108253981.db2.gz MQWBIEMHQVCLDY-IRXDYDNUSA-N 0 1 355.482 4.214 20 30 FIEDMN CCCOc1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c(OC)c1 ZINC000453674233 1108684220 /nfs/dbraw/zinc/68/42/20/1108684220.db2.gz PVLMGYWOWZAJPR-INIZCTEOSA-N 0 1 363.417 4.159 20 30 FIEDMN N#CCCCOc1cccc(CN[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000610162331 1108799078 /nfs/dbraw/zinc/79/90/78/1108799078.db2.gz SUVQSTBDADSTLF-JOCHJYFZSA-N 0 1 360.461 4.097 20 30 FIEDMN COCCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cc2cccnc21 ZINC000524166921 1108880727 /nfs/dbraw/zinc/88/07/27/1108880727.db2.gz BMUMSQHPSNZZQE-UHFFFAOYSA-N 0 1 365.864 4.408 20 30 FIEDMN CCCc1c(NCc2ccc3nc[nH]c3c2)cnn1-c1cccc(C#N)c1 ZINC000525878825 1109543201 /nfs/dbraw/zinc/54/32/01/1109543201.db2.gz JHCIGSBIWZJNIP-UHFFFAOYSA-N 0 1 356.433 4.185 20 30 FIEDMN CC[C@@H](NCc1cn2cc(Br)ccc2n1)c1ccc(C#N)cc1 ZINC000447537890 1109572077 /nfs/dbraw/zinc/57/20/77/1109572077.db2.gz ZFVIZPGNVWPQNU-QGZVFWFLSA-N 0 1 369.266 4.209 20 30 FIEDMN CCN(Cc1cc2c(cc1OC(F)F)OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000508606663 1109706797 /nfs/dbraw/zinc/70/67/97/1109706797.db2.gz YDFWMPNVSFPGHE-CYBMUJFWSA-N 0 1 374.387 4.471 20 30 FIEDMN N#Cc1ccc(C2(NCc3nc4ccc(F)cc4s3)CCOCC2)cc1 ZINC000527813911 1109829099 /nfs/dbraw/zinc/82/90/99/1109829099.db2.gz YJCFOYQPPPPUFA-UHFFFAOYSA-N 0 1 367.449 4.103 20 30 FIEDMN C=C(Cl)COc1ccc([C@H](C)NC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000527941433 1109865303 /nfs/dbraw/zinc/86/53/03/1109865303.db2.gz ZBQXNZXXQCGUFC-BBRMVZONSA-N 0 1 373.806 4.469 20 30 FIEDMN C=CCOc1cccc(CN[C@@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000449439929 1110080480 /nfs/dbraw/zinc/08/04/80/1110080480.db2.gz XKLRUEDWKAAIJU-IBGZPJMESA-N 0 1 365.395 4.484 20 30 FIEDMN C=CCOc1ccccc1C[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000449471222 1110081691 /nfs/dbraw/zinc/08/16/91/1110081691.db2.gz LRGNRSSEAFSXGB-UHFFFAOYSA-N 0 1 352.482 4.103 20 30 FIEDMN N#Cc1ccc(CN[C@H]2CCc3c2ccc(F)c3Br)s1 ZINC000449549375 1110106506 /nfs/dbraw/zinc/10/65/06/1110106506.db2.gz XIVKCFFOOBUYOH-AWEZNQCLSA-N 0 1 351.244 4.298 20 30 FIEDMN Cc1ccc2occ(CC(=O)C(C#N)=C(O)C3(c4ccccc4)CC3)c2c1 ZINC000529040435 1110179214 /nfs/dbraw/zinc/17/92/14/1110179214.db2.gz NINOJMNNXNTIJN-IBGZPJMESA-N 0 1 357.409 4.294 20 30 FIEDMN C[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(C#N)c(F)c1 ZINC000538508458 1111173016 /nfs/dbraw/zinc/17/30/16/1111173016.db2.gz NAZBZLRGSMBTHT-GFCCVEGCSA-N 0 1 360.816 4.363 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccnc(OC4CCCCC4)c3)[nH]c21 ZINC000538997989 1111384032 /nfs/dbraw/zinc/38/40/32/1111384032.db2.gz SQGZBSJSEKOCKB-KRWDZBQOSA-N 0 1 374.444 4.468 20 30 FIEDMN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000462100517 1111493110 /nfs/dbraw/zinc/49/31/10/1111493110.db2.gz HJEQJBOURLFWPH-UHFFFAOYSA-N 0 1 363.870 4.143 20 30 FIEDMN Cc1c2ccccc2oc1[C@@H](NCC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000539260744 1111497761 /nfs/dbraw/zinc/49/77/61/1111497761.db2.gz GOMOFUOPFUUZGW-FQEVSTJZSA-N 0 1 367.493 4.371 20 30 FIEDMN CC(C)(NCc1ccc(C#N)cc1OC(F)F)c1ccc(F)c(F)c1 ZINC000539337731 1111519538 /nfs/dbraw/zinc/51/95/38/1111519538.db2.gz VGJKIFGGJWBCOW-UHFFFAOYSA-N 0 1 352.331 4.463 20 30 FIEDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000552418957 1111700856 /nfs/dbraw/zinc/70/08/56/1111700856.db2.gz SWKWRFMILNLEJM-UHFFFAOYSA-N 0 1 369.468 4.138 20 30 FIEDMN N#Cc1ccnc(NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1 ZINC000552939265 1111857128 /nfs/dbraw/zinc/85/71/28/1111857128.db2.gz DXBKYJATRPRWBV-IBGZPJMESA-N 0 1 360.486 4.226 20 30 FIEDMN CC[C@H]1Oc2cc([C@@H](C)NCC#Cc3ccc(Cl)cc3)ccc2NC1=O ZINC000553010253 1111881323 /nfs/dbraw/zinc/88/13/23/1111881323.db2.gz AQTLLMOSKQGFMV-AUUYWEPGSA-N 0 1 368.864 4.152 20 30 FIEDMN CC1(C)CCC[C@@H](CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1 ZINC000479286314 1111982398 /nfs/dbraw/zinc/98/23/98/1111982398.db2.gz VJNFMOKEMNGJNE-FQEVSTJZSA-N 0 1 367.537 4.267 20 30 FIEDMN N#CC1(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)CCCC1 ZINC000156119000 1112426768 /nfs/dbraw/zinc/42/67/68/1112426768.db2.gz MZYHXEYFLZHQNR-UHFFFAOYSA-N 0 1 357.417 4.161 20 30 FIEDMN N#CC1(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)CCCC1 ZINC000156119000 1112426770 /nfs/dbraw/zinc/42/67/70/1112426770.db2.gz MZYHXEYFLZHQNR-UHFFFAOYSA-N 0 1 357.417 4.161 20 30 FIEDMN C=C(C)[C@H](N[C@H](C)Cn1cc(Br)cn1)c1ccc(F)c(F)c1 ZINC000480693933 1112549232 /nfs/dbraw/zinc/54/92/32/1112549232.db2.gz DWORRBFPUPIIQA-BZNIZROVSA-N 0 1 370.241 4.219 20 30 FIEDMN N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000480874992 1112645324 /nfs/dbraw/zinc/64/53/24/1112645324.db2.gz ROQAFSURMNTRDH-GOSISDBHSA-N 0 1 363.852 4.334 20 30 FIEDMN N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000480874992 1112645327 /nfs/dbraw/zinc/64/53/27/1112645327.db2.gz ROQAFSURMNTRDH-GOSISDBHSA-N 0 1 363.852 4.334 20 30 FIEDMN C=CCOc1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1OC ZINC000555619794 1112951227 /nfs/dbraw/zinc/95/12/27/1112951227.db2.gz HNJCMHDAUFSHMP-UHFFFAOYSA-N 0 1 367.367 4.290 20 30 FIEDMN N#C[C@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccc2ccccc21 ZINC000483224674 1113465072 /nfs/dbraw/zinc/46/50/72/1113465072.db2.gz FYYMWOLIHDQUNO-HNNXBMFYSA-N 0 1 351.749 4.286 20 30 FIEDMN N#CC(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccc2ccccc21 ZINC000483224674 1113465075 /nfs/dbraw/zinc/46/50/75/1113465075.db2.gz FYYMWOLIHDQUNO-HNNXBMFYSA-N 0 1 351.749 4.286 20 30 FIEDMN N#CC(C(=O)c1csc(Nc2ccccn2)n1)c1nccc2ccccc21 ZINC000483235443 1113468308 /nfs/dbraw/zinc/46/83/08/1113468308.db2.gz LYSJHYDPMUHOTD-HNNXBMFYSA-N 0 1 371.425 4.320 20 30 FIEDMN N#C[C@H](C(=O)c1csc(Nc2ccccn2)n1)c1nccc2ccccc21 ZINC000483235443 1113468313 /nfs/dbraw/zinc/46/83/13/1113468313.db2.gz LYSJHYDPMUHOTD-HNNXBMFYSA-N 0 1 371.425 4.320 20 30 FIEDMN N#CCc1ccc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000483258698 1113475365 /nfs/dbraw/zinc/47/53/65/1113475365.db2.gz UVVCAUUERZFDGC-KRWDZBQOSA-N 0 1 368.786 4.248 20 30 FIEDMN C=CCCOCCCCC(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000907814388 1113580746 /nfs/dbraw/zinc/58/07/46/1113580746.db2.gz FGBAXQSOFXFIJH-SFHVURJKSA-N 0 1 373.541 4.194 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c1 ZINC000486947072 1113682853 /nfs/dbraw/zinc/68/28/53/1113682853.db2.gz RDGXUHFBZHBOPX-KGLIPLIRSA-N 0 1 357.458 4.156 20 30 FIEDMN Cc1cc(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)ccc1C#N ZINC000488187639 1113870648 /nfs/dbraw/zinc/87/06/48/1113870648.db2.gz UJOGBSRVLBIEAU-NRFANRHFSA-N 0 1 362.477 4.043 20 30 FIEDMN CCN(Cc1ccc2ccccc2c1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488766654 1113991480 /nfs/dbraw/zinc/99/14/80/1113991480.db2.gz VSYUQNRGBNZRTJ-VGSWGCGISA-N 0 1 351.494 4.105 20 30 FIEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)n[nH]1 ZINC000489183903 1114065471 /nfs/dbraw/zinc/06/54/71/1114065471.db2.gz ZGPYZTURCQYISE-CABCVRRESA-N 0 1 373.460 4.348 20 30 FIEDMN Fc1cc2[nH]c(=NN=Cc3cc4ccccc4nc3Cl)[nH]c2cc1F ZINC000912825219 1114215848 /nfs/dbraw/zinc/21/58/48/1114215848.db2.gz LZRLJRZDNBXQFY-UHFFFAOYSA-N 0 1 357.751 4.489 20 30 FIEDMN COc1ccc([C@H](Cc2ccncc2)NCc2ccc(C#N)cc2F)cc1 ZINC000586789849 1114393936 /nfs/dbraw/zinc/39/39/36/1114393936.db2.gz BBXPQMVNNGHWRH-QFIPXVFZSA-N 0 1 361.420 4.175 20 30 FIEDMN CC(C)N(Cc1cccs1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000572208180 1114622318 /nfs/dbraw/zinc/62/23/18/1114622318.db2.gz YHPHFOPZKOJBTM-LJQANCHMSA-N 0 1 353.491 4.026 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000589740270 1114837867 /nfs/dbraw/zinc/83/78/67/1114837867.db2.gz OTAGIWZDLREQGT-QGZVFWFLSA-N 0 1 359.495 4.127 20 30 FIEDMN Cn1cc(-c2nc(CN[C@@H](CCCC#N)c3ccccc3)cs2)cn1 ZINC000590123272 1114897346 /nfs/dbraw/zinc/89/73/46/1114897346.db2.gz PEFRSMMQQTXUIK-SFHVURJKSA-N 0 1 351.479 4.068 20 30 FIEDMN N#Cc1cc(CN2CCC(c3ccc(OC(F)(F)F)cc3)CC2)ccn1 ZINC000590206345 1114906863 /nfs/dbraw/zinc/90/68/63/1114906863.db2.gz RMTKIDBLNSMDPV-UHFFFAOYSA-N 0 1 361.367 4.231 20 30 FIEDMN C=C(C)COc1cc(CNCc2ccc(OC(C)C)nc2)ccc1OC ZINC000057964121 1115054241 /nfs/dbraw/zinc/05/42/41/1115054241.db2.gz FJAFBCBQRZMKJR-UHFFFAOYSA-N 0 1 356.466 4.122 20 30 FIEDMN CC(C)(C#N)c1ccc(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000591855086 1115165183 /nfs/dbraw/zinc/16/51/83/1115165183.db2.gz XUPDVBUMFKFXQL-WOJBJXKFSA-N 0 1 354.881 4.449 20 30 FIEDMN COc1ccc(CNC2(c3ccccc3OC)CC2)cc1OCCCC#N ZINC000592375793 1115219949 /nfs/dbraw/zinc/21/99/49/1115219949.db2.gz XITRTRZNLXZFPF-UHFFFAOYSA-N 0 1 366.461 4.165 20 30 FIEDMN N#CCCC1CCN(C(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)CC1 ZINC000592817367 1115266322 /nfs/dbraw/zinc/26/63/22/1115266322.db2.gz NFPHBJMZVSRUSA-UHFFFAOYSA-N 0 1 358.445 4.386 20 30 FIEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000592824374 1115267187 /nfs/dbraw/zinc/26/71/87/1115267187.db2.gz IXMBBFCMUKWFFO-WCQYABFASA-N 0 1 363.914 4.113 20 30 FIEDMN C=CCC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000593017891 1115276989 /nfs/dbraw/zinc/27/69/89/1115276989.db2.gz DESPITDELDZMTM-SFHVURJKSA-N 0 1 354.406 4.179 20 30 FIEDMN C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC1(C#N)CCCC1 ZINC000593653529 1115337811 /nfs/dbraw/zinc/33/78/11/1115337811.db2.gz PFWCIEGMUCXRMK-ZDUSSCGKSA-N 0 1 353.388 4.096 20 30 FIEDMN CC[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1F ZINC000594019836 1115365015 /nfs/dbraw/zinc/36/50/15/1115365015.db2.gz WBSQLEXDZPWXDE-OXQOHEQNSA-N 0 1 353.441 4.202 20 30 FIEDMN N#Cc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)c(C(F)(F)F)c1 ZINC000574445648 1115381386 /nfs/dbraw/zinc/38/13/86/1115381386.db2.gz NRIKGIDVMIJCKJ-IBGZPJMESA-N 0 1 358.363 4.208 20 30 FIEDMN COc1cc(F)c([C@@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1OC ZINC000594519127 1115458699 /nfs/dbraw/zinc/45/86/99/1115458699.db2.gz UNYQYTFFDTUFGO-CQSZACIVSA-N 0 1 354.425 4.445 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cc1 ZINC000059335095 1115484376 /nfs/dbraw/zinc/48/43/76/1115484376.db2.gz BHQJFWZRIVTPAP-UHFFFAOYSA-N 0 1 370.387 4.417 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594920133 1115489729 /nfs/dbraw/zinc/48/97/29/1115489729.db2.gz SDNIZQIVNYDJSD-UHFFFAOYSA-N 0 1 356.473 4.334 20 30 FIEDMN COc1c(Br)cccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594970103 1115499145 /nfs/dbraw/zinc/49/91/45/1115499145.db2.gz SZAYJPHJIMDQKR-UHFFFAOYSA-N 0 1 359.267 4.354 20 30 FIEDMN Cn1c(CNC(C)(C)c2cccc(C#N)c2)nc2cc(C(F)(F)F)ccc21 ZINC000594968646 1115499155 /nfs/dbraw/zinc/49/91/55/1115499155.db2.gz LSUAMWZYFQCHQS-UHFFFAOYSA-N 0 1 372.394 4.489 20 30 FIEDMN N#Cc1ccc(CN[C@H]2CSCc3ccc(Br)cc32)s1 ZINC000594978044 1115500376 /nfs/dbraw/zinc/50/03/76/1115500376.db2.gz WDJZOIWXFCDAJA-HNNXBMFYSA-N 0 1 365.321 4.460 20 30 FIEDMN Cn1ncc(C2CC2)c1CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000594987161 1115505833 /nfs/dbraw/zinc/50/58/33/1115505833.db2.gz WYBNQBBGIFWWDQ-UHFFFAOYSA-N 0 1 372.472 4.038 20 30 FIEDMN C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC1(C#N)CCCCC1 ZINC000595097076 1115518038 /nfs/dbraw/zinc/51/80/38/1115518038.db2.gz HGRHRYVNMRCNSP-AWEZNQCLSA-N 0 1 367.415 4.486 20 30 FIEDMN CC(C)(C)C(=O)N1CCC[C@H](CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000595335671 1115523162 /nfs/dbraw/zinc/52/31/62/1115523162.db2.gz UUHPZCHENCRJPK-HMXCVIKNSA-N 0 1 367.537 4.043 20 30 FIEDMN CC(C)(C#N)c1ccc(CN2CC3(CCOCC3)[C@@H]2c2ccco2)cc1 ZINC000595717523 1115558496 /nfs/dbraw/zinc/55/84/96/1115558496.db2.gz NSHBJDJHWDOBDK-FQEVSTJZSA-N 0 1 350.462 4.434 20 30 FIEDMN C[C@H]1C[C@H](N(C)c2nc(C#N)c(Cl)s2)CC[N@H+]1Cc1ccccc1 ZINC000596135115 1115575237 /nfs/dbraw/zinc/57/52/37/1115575237.db2.gz RTZBIWCNIOGZOS-DZGCQCFKSA-N 0 1 360.914 4.157 20 30 FIEDMN N#CCCCCN1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000060332680 1115617546 /nfs/dbraw/zinc/61/75/46/1115617546.db2.gz BWDLHSTZJDEMCX-INIZCTEOSA-N 0 1 354.281 4.480 20 30 FIEDMN COc1ccc(CN2CCC[C@@H](CC#N)C2)cc1OCc1ccccc1 ZINC000597175276 1115646573 /nfs/dbraw/zinc/64/65/73/1115646573.db2.gz XQLRPTRCUJHRCB-SFHVURJKSA-N 0 1 350.462 4.400 20 30 FIEDMN CC(C)CC(CC(C)C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593348315 1115664339 /nfs/dbraw/zinc/66/43/39/1115664339.db2.gz KPZXNDJLLRJEGT-UHFFFAOYSA-N 0 1 369.553 4.347 20 30 FIEDMN C[C@H](CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)CC(C)(C)C ZINC000593356346 1115668457 /nfs/dbraw/zinc/66/84/57/1115668457.db2.gz XNESVQXRVGMHOZ-QGZVFWFLSA-N 0 1 355.526 4.101 20 30 FIEDMN CC(N=Nc1ccc(Br)nc1)c1nc2c(s1)CCCC2 ZINC000761266329 1115712654 /nfs/dbraw/zinc/71/26/54/1115712654.db2.gz FNOMHOPZNLZMAQ-UHFFFAOYSA-N 0 1 351.273 4.016 20 30 FIEDMN N#Cc1cccc(CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000602621766 1115715164 /nfs/dbraw/zinc/71/51/64/1115715164.db2.gz QQIYQUAADCUJCD-QGZVFWFLSA-N 0 1 360.230 4.096 20 30 FIEDMN N#Cc1cccc(CN[C@@H]2CCCSc3ccc(Br)cc32)n1 ZINC000602724487 1115721283 /nfs/dbraw/zinc/72/12/83/1115721283.db2.gz UOBOSZKWASGECR-MRXNPFEDSA-N 0 1 374.307 4.433 20 30 FIEDMN CC1=Nc2ccccc2C12CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC2 ZINC000602862005 1115728889 /nfs/dbraw/zinc/72/88/89/1115728889.db2.gz KCAMCHPHTCYIAW-UHFFFAOYSA-N 0 1 360.417 4.106 20 30 FIEDMN CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000598604103 1115738744 /nfs/dbraw/zinc/73/87/44/1115738744.db2.gz IXVPROBOAZGSHP-HZPDHXFCSA-N 0 1 369.278 4.026 20 30 FIEDMN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000598604103 1115738751 /nfs/dbraw/zinc/73/87/51/1115738751.db2.gz IXVPROBOAZGSHP-HZPDHXFCSA-N 0 1 369.278 4.026 20 30 FIEDMN CC(C)(C)OC(=O)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000598976606 1115774537 /nfs/dbraw/zinc/77/45/37/1115774537.db2.gz YFTPZMQYCDSQNJ-QGZVFWFLSA-N 0 1 354.475 4.352 20 30 FIEDMN C=CCOc1c(Cl)cc(CNCc2ccc(C#N)c(OC)c2)cc1OC ZINC000598973269 1115774562 /nfs/dbraw/zinc/77/45/62/1115774562.db2.gz CJPCRYWKGUEBNM-UHFFFAOYSA-N 0 1 372.852 4.083 20 30 FIEDMN N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593698895 1115798274 /nfs/dbraw/zinc/79/82/74/1115798274.db2.gz YALQHOWIZZMEIM-HXUWFJFHSA-N 0 1 354.400 4.368 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000129968611 1115802628 /nfs/dbraw/zinc/80/26/28/1115802628.db2.gz JKIOFZCTKPJABB-RTBURBONSA-N 0 1 374.488 4.161 20 30 FIEDMN N#Cc1cc2c(nc1NC1CCN(Cc3ccc(Cl)cc3)CC1)CCC2 ZINC000603844560 1115820528 /nfs/dbraw/zinc/82/05/28/1115820528.db2.gz LIVCOSLZDDZXBO-UHFFFAOYSA-N 0 1 366.896 4.172 20 30 FIEDMN CC(C)(NCCC(=O)Nc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000599533338 1115824375 /nfs/dbraw/zinc/82/43/75/1115824375.db2.gz LOGGBPYVWRLUAZ-UHFFFAOYSA-N 0 1 364.474 4.021 20 30 FIEDMN CN(C)C[C@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000599627412 1115832318 /nfs/dbraw/zinc/83/23/18/1115832318.db2.gz MGPBSUKWTLXUTE-SFHVURJKSA-N 0 1 366.267 4.397 20 30 FIEDMN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1Cc1ccncc1C#N ZINC000599653325 1115835718 /nfs/dbraw/zinc/83/57/18/1115835718.db2.gz UPPHNCHLFREEKW-XJKSGUPXSA-N 0 1 356.267 4.094 20 30 FIEDMN CCS[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)C(C)C ZINC000171366020 1115864080 /nfs/dbraw/zinc/86/40/80/1115864080.db2.gz NNRZSUFIOLHDAS-ABAIWWIYSA-N 0 1 373.305 4.418 20 30 FIEDMN CC(C)c1nc2ccc(NS(=O)(=O)c3ccccc3C#N)cc2s1 ZINC000604465495 1115866950 /nfs/dbraw/zinc/86/69/50/1115866950.db2.gz FXFDISQBRRECHD-UHFFFAOYSA-N 0 1 357.460 4.092 20 30 FIEDMN C#CCOc1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000172116853 1115916825 /nfs/dbraw/zinc/91/68/25/1115916825.db2.gz HOTXGOPNTPDHLQ-MRXNPFEDSA-N 0 1 363.436 4.183 20 30 FIEDMN N#Cc1ccc(OCCCN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000172254709 1115926185 /nfs/dbraw/zinc/92/61/85/1115926185.db2.gz CCRDWOYEWVNSFJ-UHFFFAOYSA-N 0 1 366.305 4.144 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000173411990 1116061577 /nfs/dbraw/zinc/06/15/77/1116061577.db2.gz SFOZFWNXDBCJPK-RDTXWAMCSA-N 0 1 369.421 4.135 20 30 FIEDMN C[C@H](NCc1cnn(Cc2ccccc2Cl)c1)c1ccc(C#N)cc1 ZINC000075755810 1116078933 /nfs/dbraw/zinc/07/89/33/1116078933.db2.gz AQSIETKNBJLGAJ-HNNXBMFYSA-N 0 1 350.853 4.307 20 30 FIEDMN COc1ccc(CNCc2cccnc2Oc2cccc(F)c2)cc1C#N ZINC000174267688 1116125474 /nfs/dbraw/zinc/12/54/74/1116125474.db2.gz HCFMHXUHPKQGKR-UHFFFAOYSA-N 0 1 363.392 4.183 20 30 FIEDMN C[C@@H]1CN(Cc2ccc(CNc3ccc(Cl)cc3C#N)cc2)C[C@@H](C)O1 ZINC000609029784 1116141711 /nfs/dbraw/zinc/14/17/11/1116141711.db2.gz WPGULGDIIPAEHD-HZPDHXFCSA-N 0 1 369.896 4.433 20 30 FIEDMN CCC[C@H](NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1ccccn1 ZINC000089632031 1116202280 /nfs/dbraw/zinc/20/22/80/1116202280.db2.gz NGBUSLWWAPWWQY-MSOLQXFVSA-N 0 1 353.466 4.402 20 30 FIEDMN Cn1cc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(-c2ccccc2)n1 ZINC000539407162 1116332260 /nfs/dbraw/zinc/33/22/60/1116332260.db2.gz JUTSTYDFULEQKW-VXKWHMMOSA-N 0 1 356.473 4.359 20 30 FIEDMN Cn1cc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(-c2ccccc2)n1 ZINC000539407160 1116332593 /nfs/dbraw/zinc/33/25/93/1116332593.db2.gz JUTSTYDFULEQKW-FGZHOGPDSA-N 0 1 356.473 4.359 20 30 FIEDMN Cc1c2ccccc2oc1[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(C)C ZINC000540359833 1118013593 /nfs/dbraw/zinc/01/35/93/1118013593.db2.gz VPWLHRUTDCZGQW-PZJWPPBQSA-N 0 1 355.482 4.082 20 30 FIEDMN C[C@H](Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)c1ccc(C#N)c(F)c1 ZINC000540787112 1118247057 /nfs/dbraw/zinc/24/70/57/1118247057.db2.gz BSWSZOMLOQRXNN-ZACQAIPSSA-N 0 1 367.468 4.480 20 30 FIEDMN N#CCC1CCN(Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000540995631 1118335093 /nfs/dbraw/zinc/33/50/93/1118335093.db2.gz WCWLOBSNDYEEBO-UHFFFAOYSA-N 0 1 355.869 4.440 20 30 FIEDMN COC(=O)c1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 ZINC000541084165 1118376452 /nfs/dbraw/zinc/37/64/52/1118376452.db2.gz FYLHEZWQZIXPHR-OAHLLOKOSA-N 0 1 360.413 4.456 20 30 FIEDMN N#CC(C(=O)c1cncnc1-c1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000464410074 1118546725 /nfs/dbraw/zinc/54/67/25/1118546725.db2.gz MHFTXGJSRBQWKC-CQSZACIVSA-N 0 1 368.318 4.047 20 30 FIEDMN N#C[C@@H](C(=O)c1cncnc1-c1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000464410074 1118546729 /nfs/dbraw/zinc/54/67/29/1118546729.db2.gz MHFTXGJSRBQWKC-CQSZACIVSA-N 0 1 368.318 4.047 20 30 FIEDMN Cc1ccnc2ccc(C(=O)C(C#N)c3cc(C(F)(F)F)ccn3)cc12 ZINC000464425795 1118560415 /nfs/dbraw/zinc/56/04/15/1118560415.db2.gz KQPZAFCSLUVSIL-OAHLLOKOSA-N 0 1 355.319 4.447 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H]2C2CC2)c1C#N ZINC000609133724 1118604388 /nfs/dbraw/zinc/60/43/88/1118604388.db2.gz YLAMBVRSLFYQMQ-HXUWFJFHSA-N 0 1 368.525 4.295 20 30 FIEDMN CCSCC[C@@H](C)N(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000464860421 1118727865 /nfs/dbraw/zinc/72/78/65/1118727865.db2.gz ZXNURVULDKUENJ-QGZVFWFLSA-N 0 1 361.555 4.014 20 30 FIEDMN Cc1cc(C)cc([C@H]2CCN(CC(=O)N(CCC#N)c3ccccc3)C2)c1 ZINC000542317120 1118900059 /nfs/dbraw/zinc/90/00/59/1118900059.db2.gz AFHCXAREABTMJB-FQEVSTJZSA-N 0 1 361.489 4.040 20 30 FIEDMN COc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)cc(OC)c1OC ZINC000271957227 1119033154 /nfs/dbraw/zinc/03/31/54/1119033154.db2.gz SJRZRQJBIVYKIL-CHWSQXEVSA-N 0 1 358.413 4.135 20 30 FIEDMN C=CCOc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000492224282 1119051079 /nfs/dbraw/zinc/05/10/79/1119051079.db2.gz JCGVHXXNYVRUNR-UHFFFAOYSA-N 0 1 356.422 4.193 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CC[C@H](COc3ccccc3)C2)c1 ZINC000492416723 1119086351 /nfs/dbraw/zinc/08/63/51/1119086351.db2.gz KXSMQONTKGEBOU-INIZCTEOSA-N 0 1 371.278 4.222 20 30 FIEDMN C=CCC(C)(C)CNCc1ncc(Br)cc1Br ZINC000310569793 1119334199 /nfs/dbraw/zinc/33/41/99/1119334199.db2.gz NOVHUUPWZFGFMJ-UHFFFAOYSA-N 0 1 362.109 4.299 20 30 FIEDMN C=CC[C@H](C)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000494028826 1119527619 /nfs/dbraw/zinc/52/76/19/1119527619.db2.gz NGZXPTFJWXTUIV-ORAYPTAESA-N 0 1 365.445 4.012 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1cccc2[nH]ccc21 ZINC000494136053 1119545818 /nfs/dbraw/zinc/54/58/18/1119545818.db2.gz JEDVQJVLSLVZNH-MRXNPFEDSA-N 0 1 367.518 4.265 20 30 FIEDMN C=C(C)C[C@H](C)C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000185591318 1119674717 /nfs/dbraw/zinc/67/47/17/1119674717.db2.gz VUJXVBDVKUUBNW-KRWDZBQOSA-N 0 1 357.498 4.042 20 30 FIEDMN C=C(C)[C@@H](NCc1ccc(-n2cncn2)c(C)c1)c1ccc(F)c(F)c1 ZINC000187375009 1119779966 /nfs/dbraw/zinc/77/99/66/1119779966.db2.gz BDMRCDKSKVIJRE-HXUWFJFHSA-N 0 1 354.404 4.261 20 30 FIEDMN C=CCOc1cccc(CNCc2ccc(Br)cc2OC)c1 ZINC000494455185 1119866561 /nfs/dbraw/zinc/86/65/61/1119866561.db2.gz OBNSMRRICSIBCM-UHFFFAOYSA-N 0 1 362.267 4.312 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000194431151 1120271950 /nfs/dbraw/zinc/27/19/50/1120271950.db2.gz PMSFSOVWFKKEER-GOSISDBHSA-N 0 1 368.481 4.285 20 30 FIEDMN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(Br)n2)c1 ZINC000925416957 1120448495 /nfs/dbraw/zinc/44/84/95/1120448495.db2.gz YKLTZMYYTNTAMO-UKRRQHHQSA-N 0 1 374.282 4.376 20 30 FIEDMN C=CC[C@@H](CO)CN[C@@H](c1ccccc1)c1ccccc1Br ZINC000495061369 1120449134 /nfs/dbraw/zinc/44/91/34/1120449134.db2.gz COOFFFVNENMSFW-BEFAXECRSA-N 0 1 360.295 4.313 20 30 FIEDMN CC[NH+](CC)Cc1cc(C(C)=NNc2ccc(F)cc2OC)ccc1[O-] ZINC000761884989 1120564447 /nfs/dbraw/zinc/56/44/47/1120564447.db2.gz OKRYITJBQBTJOS-UHFFFAOYSA-N 0 1 359.445 4.218 20 30 FIEDMN COc1cc(F)ccc1NN=C(C)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000761891575 1120566054 /nfs/dbraw/zinc/56/60/54/1120566054.db2.gz ZLWRFXARQOMTII-UHFFFAOYSA-N 0 1 371.456 4.362 20 30 FIEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000762025463 1120660732 /nfs/dbraw/zinc/66/07/32/1120660732.db2.gz OARGCPKGSBQQND-TZMCWYRMSA-N 0 1 364.873 4.377 20 30 FIEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000762025462 1120660991 /nfs/dbraw/zinc/66/09/91/1120660991.db2.gz OARGCPKGSBQQND-OCCSQVGLSA-N 0 1 364.873 4.377 20 30 FIEDMN CC[C@H](C#N)Oc1cccc(CNCc2cn(C)nc2C2CCCCC2)c1 ZINC000784546960 1120706797 /nfs/dbraw/zinc/70/67/97/1120706797.db2.gz ZEXDOKOOQNGLPP-HXUWFJFHSA-N 0 1 366.509 4.439 20 30 FIEDMN O=C(Nc1cccc(C=NN=c2[nH]c3ccccc3s2)c1)C(F)(F)F ZINC000915934330 1121353876 /nfs/dbraw/zinc/35/38/76/1121353876.db2.gz XWRPHPINOGCUPC-UHFFFAOYSA-N 0 1 364.352 4.243 20 30 FIEDMN O=[N+]([O-])c1ccc(N=NCc2sc(Nc3ccccc3)nc2Cl)nc1 ZINC000915968738 1121357233 /nfs/dbraw/zinc/35/72/33/1121357233.db2.gz GEYWFWYDAGNHMM-UHFFFAOYSA-N 0 1 374.813 4.289 20 30 FIEDMN Cc1cc(NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)nc(C)n1 ZINC000915968433 1121357554 /nfs/dbraw/zinc/35/75/54/1121357554.db2.gz XMOHBIGCSWPJRA-UHFFFAOYSA-N 0 1 353.407 4.176 20 30 FIEDMN COCCn1c(C)cc(CN=Nc2ccnc3cc(Cl)ccc23)c1C ZINC000916269579 1121460810 /nfs/dbraw/zinc/46/08/10/1121460810.db2.gz ZLSZXLHPONVBIW-UHFFFAOYSA-N 0 1 356.857 4.399 20 30 FIEDMN FC(F)(F)c1n[nH]c(=S)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000916303425 1121468042 /nfs/dbraw/zinc/46/80/42/1121468042.db2.gz DKSCCTXFQWEUJJ-UHFFFAOYSA-N 0 1 372.759 4.381 20 30 FIEDMN N#CC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000123740441 1121627469 /nfs/dbraw/zinc/62/74/69/1121627469.db2.gz BXDHAPMFANPIGO-UHFFFAOYSA-N 0 1 360.436 4.414 20 30 FIEDMN N#CC1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000123756611 1121629999 /nfs/dbraw/zinc/62/99/99/1121629999.db2.gz ARFQPUFWIVNECS-UHFFFAOYSA-N 0 1 353.853 4.328 20 30 FIEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Sc1ccccc1Cl ZINC000916875180 1121905679 /nfs/dbraw/zinc/90/56/79/1121905679.db2.gz VFPYGZRZYKAVBH-ZIAGYGMSSA-N 0 1 366.914 4.226 20 30 FIEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccc(C(C)=O)s1 ZINC000916903707 1121915329 /nfs/dbraw/zinc/91/53/29/1121915329.db2.gz QVORSRRFOPLSKW-HNNXBMFYSA-N 0 1 368.458 4.037 20 30 FIEDMN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000916895422 1121924043 /nfs/dbraw/zinc/92/40/43/1121924043.db2.gz JSZOLZXNAOMMAT-QFBILLFUSA-N 0 1 370.493 4.044 20 30 FIEDMN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)c(OC(F)F)c1 ZINC000553261822 1122055701 /nfs/dbraw/zinc/05/57/01/1122055701.db2.gz VABXCLAXWFMUOS-SFHVURJKSA-N 0 1 358.388 4.335 20 30 FIEDMN N#CC(C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc2ccccc2o1 ZINC000054736845 1122195428 /nfs/dbraw/zinc/19/54/28/1122195428.db2.gz SFJRWYALEDBFIN-OAHLLOKOSA-N 0 1 371.352 4.163 20 30 FIEDMN C/C=C/c1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000497412663 1122221974 /nfs/dbraw/zinc/22/19/74/1122221974.db2.gz SRJLHONIIHXWRR-DUXPYHPUSA-N 0 1 374.488 4.331 20 30 FIEDMN COc1ccc([C@@H]2C[C@H](N(CCC#N)Cc3ccccc3)CCO2)cc1 ZINC001168632329 1122227289 /nfs/dbraw/zinc/22/72/89/1122227289.db2.gz ZQISFJOTFJWFJZ-IRLDBZIGSA-N 0 1 350.462 4.331 20 30 FIEDMN CC(C)Oc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000056170606 1122297361 /nfs/dbraw/zinc/29/73/61/1122297361.db2.gz SMCVROICFUDJEN-HZPDHXFCSA-N 0 1 351.450 4.023 20 30 FIEDMN FC(F)(F)c1n[nH]c(=S)n1N=Cc1cc(-c2ccccc2)cs1 ZINC000917533961 1122351788 /nfs/dbraw/zinc/35/17/88/1122351788.db2.gz FIBCOOCRBPSRBN-UHFFFAOYSA-N 0 1 354.382 4.196 20 30 FIEDMN Clc1cccc(-c2ccc(C=NNc3ncnc4nc[nH]c43)s2)c1 ZINC000917555160 1122360045 /nfs/dbraw/zinc/36/00/45/1122360045.db2.gz HAYWLKGPVXIXHF-UHFFFAOYSA-N 0 1 354.826 4.181 20 30 FIEDMN N#Cc1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccs2)nc1 ZINC000780555973 1122698273 /nfs/dbraw/zinc/69/82/73/1122698273.db2.gz KZGHPSXPIKFRJY-UHFFFAOYSA-N 0 1 371.469 4.157 20 30 FIEDMN Cc1cc(N=NCc2csc(COc3ccc(Cl)cc3)n2)nc(C)n1 ZINC000918712860 1122758486 /nfs/dbraw/zinc/75/84/86/1122758486.db2.gz SDYWNVZGSUFPEI-UHFFFAOYSA-N 0 1 373.869 4.228 20 30 FIEDMN N#Cc1cccc(C2(NCC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 ZINC000556512375 1122935897 /nfs/dbraw/zinc/93/58/97/1122935897.db2.gz NYOYCLRBRNCKBO-UHFFFAOYSA-N 0 1 367.452 4.443 20 30 FIEDMN CCCN(CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000072553562 1123086630 /nfs/dbraw/zinc/08/66/30/1123086630.db2.gz ACAFXHVKFHOHAX-UHFFFAOYSA-N 0 1 353.491 4.153 20 30 FIEDMN C=CCc1cc(CN2CCC[C@@H]2c2ccccc2OC)cc(OC)c1O ZINC000556859093 1123144585 /nfs/dbraw/zinc/14/45/85/1123144585.db2.gz WYGMGSGNPYIYRI-LJQANCHMSA-N 0 1 353.462 4.475 20 30 FIEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000499055943 1123178710 /nfs/dbraw/zinc/17/87/10/1123178710.db2.gz YYDCUSFNENLILQ-UHFFFAOYSA-N 0 1 356.429 4.085 20 30 FIEDMN N#Cc1ccc(CNCc2ccc(Br)cc2F)cc1Cl ZINC000619748347 1123224018 /nfs/dbraw/zinc/22/40/18/1123224018.db2.gz BBFYRJQAQBNSRC-UHFFFAOYSA-N 0 1 353.622 4.403 20 30 FIEDMN COc1cc2c(cc1OC)CN(Cc1ccccc1C(C)(C)C#N)CC2 ZINC000135097314 1123716529 /nfs/dbraw/zinc/71/65/29/1123716529.db2.gz XBVSWBFMKOMXKF-UHFFFAOYSA-N 0 1 350.462 4.063 20 30 FIEDMN CCCC[C@H](CC)CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000609761470 1123834279 /nfs/dbraw/zinc/83/42/79/1123834279.db2.gz MCIQNQYKUHMXHM-IBGZPJMESA-N 0 1 355.526 4.199 20 30 FIEDMN CC(C)n1ncc2cc(/C=C/C(=O)c3ccc(O)c(F)c3)c(Cl)nc21 ZINC000170851810 1123960175 /nfs/dbraw/zinc/96/01/75/1123960175.db2.gz FSJJVJILSPZDJN-SNAWJCMRSA-N 0 1 359.788 4.406 20 30 FIEDMN COc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1OCCCC#N ZINC000170851780 1123960249 /nfs/dbraw/zinc/96/02/49/1123960249.db2.gz WRLPFTFXMKSGQZ-QPJJXVBHSA-N 0 1 355.365 4.119 20 30 FIEDMN C=CCc1cc(CN2CCC[C@H]2c2ccc(COC)o2)cc(OC)c1O ZINC000137083843 1123960950 /nfs/dbraw/zinc/96/09/50/1123960950.db2.gz ZVSCOVUIAIHPJD-SFHVURJKSA-N 0 1 357.450 4.206 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CNCc2ccnc(OCc3ccccc3)c2)cc1 ZINC000237601551 1123994452 /nfs/dbraw/zinc/99/44/52/1123994452.db2.gz OLCFBGJBAYSOOA-GOSISDBHSA-N 0 1 373.456 4.241 20 30 FIEDMN C=CCC1(C(=O)N(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)CCOCC1 ZINC000615813292 1124129882 /nfs/dbraw/zinc/12/98/82/1124129882.db2.gz NCYMVBQNSIYCCQ-CYBMUJFWSA-N 0 1 361.873 4.109 20 30 FIEDMN Cc1ccc(F)cc1S(=O)(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000108252003 1124271096 /nfs/dbraw/zinc/27/10/96/1124271096.db2.gz JRZJQAZYNAUBAL-GFCCVEGCSA-N 0 1 364.467 4.187 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4ccc(C#N)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000302027821 1124277373 /nfs/dbraw/zinc/27/73/73/1124277373.db2.gz ANNUVBFOVWQRNH-HNNXBMFYSA-N 0 1 361.405 4.035 20 30 FIEDMN CC(=O)c1ccc(C#N)cc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000302053299 1124280718 /nfs/dbraw/zinc/28/07/18/1124280718.db2.gz PGAVATGOEPSLQJ-UHFFFAOYSA-N 0 1 369.468 4.236 20 30 FIEDMN N#Cc1cccc(C#N)c1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000302878318 1124363291 /nfs/dbraw/zinc/36/32/91/1124363291.db2.gz GZUGSDALUILBLM-GOSISDBHSA-N 0 1 370.378 4.135 20 30 FIEDMN CN1CC[C@H](CNc2c(C#N)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302890148 1124364184 /nfs/dbraw/zinc/36/41/84/1124364184.db2.gz PHFKZRPYEBIEBP-UZLBHIALSA-N 0 1 368.843 4.327 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Cl)nc2)ccc1OC ZINC000180815174 1124442533 /nfs/dbraw/zinc/44/25/33/1124442533.db2.gz FKAMQVFDAGCBSQ-XJKSGUPXSA-N 0 1 359.857 4.275 20 30 FIEDMN Cc1ccc(C[C@@H](C#N)Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)cc1 ZINC000303835703 1124497036 /nfs/dbraw/zinc/49/70/36/1124497036.db2.gz ARWDGHHXKOMCBE-INIZCTEOSA-N 0 1 356.401 4.285 20 30 FIEDMN CSCC[C@@H](C)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000246618761 1124541872 /nfs/dbraw/zinc/54/18/72/1124541872.db2.gz GCIFSMCYDUSQRE-HUUCEWRRSA-N 0 1 365.568 4.093 20 30 FIEDMN C=C(Br)CNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000785455973 1124770502 /nfs/dbraw/zinc/77/05/02/1124770502.db2.gz QIBTXQBZCABLBZ-UHFFFAOYSA-N 0 1 360.177 4.094 20 30 FIEDMN CN(CCc1cccc2ccccc21)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075679953 1124915264 /nfs/dbraw/zinc/91/52/64/1124915264.db2.gz NOVBAXZECWVPRY-UHFFFAOYSA-N 0 1 368.440 4.436 20 30 FIEDMN CC(C)N(Cc1ccccc1C#N)C[C@@H](O)COc1cccc2ccccc21 ZINC000517897812 1124932015 /nfs/dbraw/zinc/93/20/15/1124932015.db2.gz BZWMRKWZEDSIOZ-JOCHJYFZSA-N 0 1 374.484 4.362 20 30 FIEDMN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1F ZINC000007910983 1124941569 /nfs/dbraw/zinc/94/15/69/1124941569.db2.gz QXQMFUMBKAXMSD-UHFFFAOYSA-N 0 1 371.481 4.098 20 30 FIEDMN C=CCN1CC[C@H](N(CC)[C@@H](c2ccccc2)c2ccc(F)cc2)C1=O ZINC000499528032 1125046011 /nfs/dbraw/zinc/04/60/11/1125046011.db2.gz BOFHFZHXFAXRLD-SFTDATJTSA-N 0 1 352.453 4.024 20 30 FIEDMN COc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000763497794 1125097072 /nfs/dbraw/zinc/09/70/72/1125097072.db2.gz ASENHVYWJFFQTR-DEOSSOPVSA-N 0 1 372.468 4.303 20 30 FIEDMN N#CC(C(=O)c1ccc2oc(=O)[nH]c2c1)c1nc(-c2ccccc2)cs1 ZINC000672581921 1125188779 /nfs/dbraw/zinc/18/87/79/1125188779.db2.gz VUZJFKKEOUSCNG-ZDUSSCGKSA-N 0 1 361.382 4.147 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@H](N[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000618570109 1125208580 /nfs/dbraw/zinc/20/85/80/1125208580.db2.gz NEGLCFUOSNACIF-RHSMWYFYSA-N 0 1 352.434 4.365 20 30 FIEDMN N#Cc1csc(CN(CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000093005420 1125257979 /nfs/dbraw/zinc/25/79/79/1125257979.db2.gz WSPXFMYEQZKHAN-UHFFFAOYSA-N 0 1 351.450 4.399 20 30 FIEDMN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(-n2cncn2)cc1Cl ZINC000618803320 1125284731 /nfs/dbraw/zinc/28/47/31/1125284731.db2.gz HYFUXQIYPOBMAP-RNODOKPDSA-N 0 1 363.852 4.130 20 30 FIEDMN N#Cc1ccc(CNCc2cccc(OCCCc3ccccc3)c2)nc1 ZINC000780558015 1125351521 /nfs/dbraw/zinc/35/15/21/1125351521.db2.gz GMFUFFOEIVUDKH-UHFFFAOYSA-N 0 1 357.457 4.255 20 30 FIEDMN FCCn1cc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 ZINC000922113655 1125437694 /nfs/dbraw/zinc/43/76/94/1125437694.db2.gz XVMRUJZWIYGPRJ-UHFFFAOYSA-N 0 1 369.284 4.180 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2sc(NC(=O)c3ccco3)cc2C)n1 ZINC000041517421 205090980 /nfs/dbraw/zinc/09/09/80/205090980.db2.gz ZMGISCDDXUIGDT-LLVKDONJSA-N 0 1 371.443 4.157 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](C)c2ccc(Cl)c(Cl)c2)c(C#N)c1C ZINC000120358657 567891290 /nfs/dbraw/zinc/89/12/90/567891290.db2.gz BLEYRKZLYMLBFS-SNVBAGLBSA-N 0 1 366.248 4.364 20 30 FIEDMN C[C@@H]1[C@H](C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)C1(F)F ZINC000461107493 568000074 /nfs/dbraw/zinc/00/00/74/568000074.db2.gz JOMNBKHGZGQCDH-MLUIRONXSA-N 0 1 369.240 4.057 20 30 FIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000603908766 568178275 /nfs/dbraw/zinc/17/82/75/568178275.db2.gz RSWWEISOEOKLQS-UHFFFAOYSA-N 0 1 369.475 4.018 20 30 FIEDMN COC(=O)c1ccccc1-c1ccc(CN(C)Cc2cccc(C#N)c2)o1 ZINC000481928395 568189511 /nfs/dbraw/zinc/18/95/11/568189511.db2.gz RPADALZRAQYHRH-UHFFFAOYSA-N 0 1 360.413 4.237 20 30 FIEDMN C[N@@H+](CCOc1ccccc1F)Cc1ccc(C#N)cc1C(F)(F)F ZINC000569044868 568281240 /nfs/dbraw/zinc/28/12/40/568281240.db2.gz UHLYPGFDYUCVCQ-UHFFFAOYSA-N 0 1 352.331 4.227 20 30 FIEDMN CN(CCOc1ccccc1F)Cc1ccc(C#N)cc1C(F)(F)F ZINC000569044868 568281241 /nfs/dbraw/zinc/28/12/41/568281241.db2.gz UHLYPGFDYUCVCQ-UHFFFAOYSA-N 0 1 352.331 4.227 20 30 FIEDMN CN(C)Cc1cc(-c2noc([C@@H]3C[C@H]3c3cccc(C#N)c3)n2)ccc1F ZINC000570031735 568442005 /nfs/dbraw/zinc/44/20/05/568442005.db2.gz NNNAVLGLGRJSDR-ZWKOTPCHSA-N 0 1 362.408 4.080 20 30 FIEDMN COc1cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)ccc1C#N ZINC000570505231 568489451 /nfs/dbraw/zinc/48/94/51/568489451.db2.gz KXFWBOZHYREANA-CQSZACIVSA-N 0 1 364.424 4.051 20 30 FIEDMN C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000078268476 1125474124 /nfs/dbraw/zinc/47/41/24/1125474124.db2.gz VEKHSRWRNFJDGJ-KBPBESRZSA-N 0 1 367.415 4.087 20 30 FIEDMN COc1cc([C@H](C)NCc2ccc(C#N)c(Cl)c2)cc(OC)c1OC ZINC000619755300 1125681132 /nfs/dbraw/zinc/68/11/32/1125681132.db2.gz WESBGIXORGFRAR-LBPRGKRZSA-N 0 1 360.841 4.088 20 30 FIEDMN N#Cc1ccc(CNCc2cnn(-c3ccc(Cl)cc3)c2)cc1Cl ZINC000619748252 1125690457 /nfs/dbraw/zinc/69/04/57/1125690457.db2.gz DOVUKEYZDUZHAD-UHFFFAOYSA-N 0 1 357.244 4.341 20 30 FIEDMN C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccsc1 ZINC000619782555 1125694983 /nfs/dbraw/zinc/69/49/83/1125694983.db2.gz COYGYGVBNLIURI-LBPRGKRZSA-N 0 1 359.520 4.239 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ccsc1 ZINC000619783653 1125696168 /nfs/dbraw/zinc/69/61/68/1125696168.db2.gz WNYJMDDWGOCZPQ-KBPBESRZSA-N 0 1 359.520 4.432 20 30 FIEDMN C[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccsc1 ZINC000619783655 1125696417 /nfs/dbraw/zinc/69/64/17/1125696417.db2.gz WNYJMDDWGOCZPQ-UONOGXRCSA-N 0 1 359.520 4.432 20 30 FIEDMN C=CCN(C(=O)c1cc(-c2ccccc2)n[nH]1)c1nc2c(s1)CCCC2 ZINC000080818570 1125754160 /nfs/dbraw/zinc/75/41/60/1125754160.db2.gz OWGBHKWJGDWARB-UHFFFAOYSA-N 0 1 364.474 4.245 20 30 FIEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(-c4ccc(F)cc4)o3)C2)nc1 ZINC000430185432 1079765714 /nfs/dbraw/zinc/76/57/14/1079765714.db2.gz JAZYQPOTNQADRW-LJQANCHMSA-N 0 1 363.392 4.006 20 30 FIEDMN Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2C#N)[nH]c1-c1ccccc1 ZINC000187129693 1079910564 /nfs/dbraw/zinc/91/05/64/1079910564.db2.gz RXWDBNNXRBQJJL-AWEZNQCLSA-N 0 1 362.458 4.376 20 30 FIEDMN N#CCCN(C(=O)CN(C1CC1)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000109011783 1079922447 /nfs/dbraw/zinc/92/24/47/1079922447.db2.gz VDBRAUXGCYWGBR-JOCHJYFZSA-N 0 1 359.473 4.085 20 30 FIEDMN C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000043302861 1079951274 /nfs/dbraw/zinc/95/12/74/1079951274.db2.gz QADTZYSRAQESGT-QWHCGFSZSA-N 0 1 361.367 4.255 20 30 FIEDMN CCSc1cc(CNCc2ccc(OC)c(OCCCC#N)c2)ccn1 ZINC000275069712 1080468561 /nfs/dbraw/zinc/46/85/61/1080468561.db2.gz VKBQXDFLTZMTGQ-UHFFFAOYSA-N 0 1 371.506 4.175 20 30 FIEDMN CCN(CC(=O)N(CCC#N)c1ccc(C)c(C)c1)Cc1ccc(C)cc1 ZINC001167205472 1080843831 /nfs/dbraw/zinc/84/38/31/1080843831.db2.gz GDBIEBQGBWBUAF-UHFFFAOYSA-N 0 1 363.505 4.381 20 30 FIEDMN C#CCN(CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C1CCCCC1 ZINC001167273727 1080938402 /nfs/dbraw/zinc/93/84/02/1080938402.db2.gz QRFZFQIWLWWCHS-QGZVFWFLSA-N 0 1 352.478 4.220 20 30 FIEDMN Cc1cccnc1[C@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000118840682 1081215456 /nfs/dbraw/zinc/21/54/56/1081215456.db2.gz RRPSMKWWWXRVEE-KBXCAEBGSA-N 0 1 370.884 4.229 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc([S@@](C)=O)cc1 ZINC000579294557 1081503547 /nfs/dbraw/zinc/50/35/47/1081503547.db2.gz RUZTZLABZWNWAX-XELLLNAOSA-N 0 1 366.408 4.165 20 30 FIEDMN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000175870300 1081522577 /nfs/dbraw/zinc/52/25/77/1081522577.db2.gz FOOZSNXMIJEIEE-UHFFFAOYSA-N 0 1 369.509 4.170 20 30 FIEDMN CCOc1ccccc1Oc1ccc(CNCc2cc(C#N)cs2)cn1 ZINC000177686919 1081529256 /nfs/dbraw/zinc/52/92/56/1081529256.db2.gz MBVJJHHPACTSQN-UHFFFAOYSA-N 0 1 365.458 4.496 20 30 FIEDMN N#Cc1cccc(-c2nnc(CN3CCC[C@@H](c4ccccc4)CC3)o2)c1 ZINC000610370188 1081552869 /nfs/dbraw/zinc/55/28/69/1081552869.db2.gz KVDKIRQPHFJUNC-LJQANCHMSA-N 0 1 358.445 4.378 20 30 FIEDMN Cn1cc(CNCc2ccc(C3CC3)cc2F)c(-c2ccc(C#N)cc2)n1 ZINC000580869314 1082199270 /nfs/dbraw/zinc/19/92/70/1082199270.db2.gz IQOUJALBYBLQAI-UHFFFAOYSA-N 0 1 360.436 4.265 20 30 FIEDMN N#CC(=C([O-])c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1ccccn1 ZINC000430526650 1082228633 /nfs/dbraw/zinc/22/86/33/1082228633.db2.gz SQLPQHRDLBKGFK-GFCCVEGCSA-N 0 1 357.200 4.064 20 30 FIEDMN N#CC(C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1ccccn1 ZINC000430526650 1082228637 /nfs/dbraw/zinc/22/86/37/1082228637.db2.gz SQLPQHRDLBKGFK-GFCCVEGCSA-N 0 1 357.200 4.064 20 30 FIEDMN C=CCN(C(=O)[C@@H](c1cccc(C(F)(F)F)c1)N(CC)CC)C1CC1 ZINC001266693801 1082437487 /nfs/dbraw/zinc/43/74/87/1082437487.db2.gz MDXBLBYGJPICGQ-QGZVFWFLSA-N 0 1 354.416 4.265 20 30 FIEDMN CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1C ZINC000430595342 1082550701 /nfs/dbraw/zinc/55/07/01/1082550701.db2.gz UGJXIMKVDPFZIL-CQSZACIVSA-N 0 1 355.463 4.198 20 30 FIEDMN CC(=O)Nc1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1C ZINC000430595342 1082550708 /nfs/dbraw/zinc/55/07/08/1082550708.db2.gz UGJXIMKVDPFZIL-CQSZACIVSA-N 0 1 355.463 4.198 20 30 FIEDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1F ZINC000126690264 1082731190 /nfs/dbraw/zinc/73/11/90/1082731190.db2.gz HQTNHOFAQATJAW-OLZOCXBDSA-N 0 1 371.481 4.234 20 30 FIEDMN C=CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000656759438 1082752026 /nfs/dbraw/zinc/75/20/26/1082752026.db2.gz GEUAZEKMVFXYOH-XHDPSFHLSA-N 0 1 356.235 4.002 20 30 FIEDMN CC(=O)c1cc(C(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)n(C)c1 ZINC000051151369 1082784264 /nfs/dbraw/zinc/78/42/64/1082784264.db2.gz SHGCXRRZOAQKNW-MRXNPFEDSA-N 0 1 363.442 4.150 20 30 FIEDMN C=CCOc1ccc(CN(CCc2ccccn2)Cc2cccnc2)cc1 ZINC000430879020 1083220318 /nfs/dbraw/zinc/22/03/18/1083220318.db2.gz MEEFHYLFOXQISD-UHFFFAOYSA-N 0 1 359.473 4.286 20 30 FIEDMN Cc1cc(C)cc(OCCNCc2cc(C#N)ccc2Br)c1 ZINC001648913721 1083243285 /nfs/dbraw/zinc/24/32/85/1083243285.db2.gz FVZXUGHMSRVUHR-UHFFFAOYSA-N 0 1 359.267 4.106 20 30 FIEDMN N#CCc1ccc(C(=O)Nc2cc(Br)cc(Cl)c2O)cc1 ZINC000535654650 1083261126 /nfs/dbraw/zinc/26/11/26/1083261126.db2.gz GBZDUWKGPVPKFZ-UHFFFAOYSA-N 0 1 365.614 4.126 20 30 FIEDMN Cc1nn(-c2ccccc2)cc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000102595160 1083439464 /nfs/dbraw/zinc/43/94/64/1083439464.db2.gz ZYNKIGQQQKDCIV-HNNXBMFYSA-N 0 1 370.334 4.085 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)NCC#Cc2ccccc2)c1 ZINC000510926966 1083475151 /nfs/dbraw/zinc/47/51/51/1083475151.db2.gz DXHLCPIXNQKOBQ-UHFFFAOYSA-N 0 1 368.480 4.100 20 30 FIEDMN C=C(C)C(C)(C)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC001125787656 1083509136 /nfs/dbraw/zinc/50/91/36/1083509136.db2.gz HKHFJRHFLQRTEC-UHFFFAOYSA-N 0 1 371.525 4.432 20 30 FIEDMN C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@H]1c1ccccc1 ZINC000247566114 1083547822 /nfs/dbraw/zinc/54/78/22/1083547822.db2.gz RFXJGZRTSAKLJZ-OXQOHEQNSA-N 0 1 358.445 4.234 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)c1 ZINC000179740084 1083612729 /nfs/dbraw/zinc/61/27/29/1083612729.db2.gz MRRHMHQAGJQWQA-UHFFFAOYSA-N 0 1 371.396 4.018 20 30 FIEDMN C[C@@H](NC(=O)CN[C@@H](C)c1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC000548936830 1083866506 /nfs/dbraw/zinc/86/65/06/1083866506.db2.gz NXQWBWSCDDMULY-DLBZAZTESA-N 0 1 357.457 4.239 20 30 FIEDMN C[C@@H](NCC(=O)N[C@@H](C)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000548936833 1083866939 /nfs/dbraw/zinc/86/69/39/1083866939.db2.gz NXQWBWSCDDMULY-SJORKVTESA-N 0 1 357.457 4.239 20 30 FIEDMN C[C@@H](N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000136687138 1083878173 /nfs/dbraw/zinc/87/81/73/1083878173.db2.gz SGGTZFQGAFUCOE-SJKOYZFVSA-N 0 1 371.366 4.135 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CN=Nc2ccc(Br)cc2F)cc1 ZINC000728432181 1084060633 /nfs/dbraw/zinc/06/06/33/1084060633.db2.gz KJIJYQOTNHQNGK-LLVKDONJSA-N 0 1 362.202 4.325 20 30 FIEDMN COc1ccc(Br)cc1/C=C/C(=O)c1ccc(O)c(F)c1 ZINC000728438137 1084143744 /nfs/dbraw/zinc/14/37/44/1084143744.db2.gz AZAXAWWSFZKIJK-HWKANZROSA-N 0 1 351.171 4.199 20 30 FIEDMN O=C(/C=C\c1ccccc1I)c1ccc(O)c(F)c1 ZINC000728439243 1084162265 /nfs/dbraw/zinc/16/22/65/1084162265.db2.gz ZEPPCVWHYLMYJB-ALCCZGGFSA-N 0 1 368.145 4.032 20 30 FIEDMN COC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(O)c(F)c3)o2)cc1 ZINC000728439199 1084162440 /nfs/dbraw/zinc/16/24/40/1084162440.db2.gz XEOVAKHTNIEFEG-JXMROGBWSA-N 0 1 366.344 4.474 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)NC1(C#N)CCCCC1 ZINC000066391214 1084428758 /nfs/dbraw/zinc/42/87/58/1084428758.db2.gz GYAMUGHQCCIJKF-ZIAGYGMSSA-N 0 1 367.415 4.087 20 30 FIEDMN COc1ccc([C@@H](NCc2ccc(C#N)cc2OC(F)F)C2CC2)cc1 ZINC000539493514 1084573144 /nfs/dbraw/zinc/57/31/44/1084573144.db2.gz MYAQEZFIAIBYMY-IBGZPJMESA-N 0 1 358.388 4.409 20 30 FIEDMN CN(C)[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000431804373 1084626169 /nfs/dbraw/zinc/62/61/69/1084626169.db2.gz JALGBOXDXAYROY-RBUKOAKNSA-N 0 1 370.522 4.085 20 30 FIEDMN CN(C)[C@@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000431804371 1084626480 /nfs/dbraw/zinc/62/64/80/1084626480.db2.gz JALGBOXDXAYROY-MOPGFXCFSA-N 0 1 370.522 4.085 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3cc(C)cc(C#N)c3)[nH]c2c1 ZINC000581868327 1084637944 /nfs/dbraw/zinc/63/79/44/1084637944.db2.gz YVSJMPHVWHGKEP-IBGZPJMESA-N 0 1 359.433 4.420 20 30 FIEDMN Cc1sc(NC(=O)CNC2(c3ccc(Cl)cc3)CCC2)c(C#N)c1C ZINC000551447635 1084651147 /nfs/dbraw/zinc/65/11/47/1084651147.db2.gz OXTUUNREJCIMGY-UHFFFAOYSA-N 0 1 373.909 4.498 20 30 FIEDMN N#CC(C(=O)CC1CCSCC1)C(=O)Nc1cccc2ccccc21 ZINC000134975954 1084694639 /nfs/dbraw/zinc/69/46/39/1084694639.db2.gz AKNXATFTCWJBHZ-KRWDZBQOSA-N 0 1 352.459 4.020 20 30 FIEDMN Cc1nn(-c2ccccc2)cc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000539924198 1084698603 /nfs/dbraw/zinc/69/86/03/1084698603.db2.gz SXQBQIGYDLNHFR-UHFFFAOYSA-N 0 1 354.457 4.342 20 30 FIEDMN COc1cc(/C=C\C(=O)c2ccc3ccccc3c2O)ccc1OCC#N ZINC000255493641 1084716343 /nfs/dbraw/zinc/71/63/43/1084716343.db2.gz KCOPIEABPKXTGI-POHAHGRESA-N 0 1 359.381 4.352 20 30 FIEDMN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000661117607 1085400959 /nfs/dbraw/zinc/40/09/59/1085400959.db2.gz SNJNLZKQYDPEFB-BBRMVZONSA-N 0 1 374.485 4.154 20 30 FIEDMN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000661117610 1085401239 /nfs/dbraw/zinc/40/12/39/1085401239.db2.gz SNJNLZKQYDPEFB-XJKSGUPXSA-N 0 1 374.485 4.154 20 30 FIEDMN C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1nc(C(C)(C)C)no1 ZINC000582700781 1085414620 /nfs/dbraw/zinc/41/46/20/1085414620.db2.gz CTMKFQDNEJROJU-FPPRHVDESA-N 0 1 352.482 4.422 20 30 FIEDMN Cc1ccc(C(C)(C)CN(C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075861612 1085538120 /nfs/dbraw/zinc/53/81/20/1085538120.db2.gz HYPNZXZYXFDIPQ-UHFFFAOYSA-N 0 1 360.461 4.326 20 30 FIEDMN Cc1ccc(NC(=O)CNCc2ccc(C(C)(C)C#N)cc2)c(Cl)c1 ZINC000594607623 1085564574 /nfs/dbraw/zinc/56/45/74/1085564574.db2.gz YQWNITMBBNPKMB-UHFFFAOYSA-N 0 1 355.869 4.178 20 30 FIEDMN C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000628147264 1085637944 /nfs/dbraw/zinc/63/79/44/1085637944.db2.gz MZTXXIJSQTXXSX-OAHLLOKOSA-N 0 1 361.873 4.016 20 30 FIEDMN C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](CC(C)C)C(=O)[O-] ZINC000566359051 1085736318 /nfs/dbraw/zinc/73/63/18/1085736318.db2.gz OUKFAGWSCHMCPU-OAHLLOKOSA-N 0 1 358.251 4.076 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2CCC(OC)CC2)cc1 ZINC000136679051 1085916749 /nfs/dbraw/zinc/91/67/49/1085916749.db2.gz SNVMLWJEJQASBW-FSROGBMZSA-N 0 1 370.493 4.443 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000662086320 1086109918 /nfs/dbraw/zinc/10/99/18/1086109918.db2.gz QYWAKJOKMQKPKQ-HDICACEKSA-N 0 1 353.491 4.240 20 30 FIEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000618483731 1086133375 /nfs/dbraw/zinc/13/33/75/1086133375.db2.gz AOHMPTSGPYNXLQ-UHFFFAOYSA-N 0 1 365.264 4.158 20 30 FIEDMN C=CCOc1ccccc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000161527910 1086182624 /nfs/dbraw/zinc/18/26/24/1086182624.db2.gz KWNDLPUEAVAULY-KRWDZBQOSA-N 0 1 370.468 4.078 20 30 FIEDMN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000150882148 1086541460 /nfs/dbraw/zinc/54/14/60/1086541460.db2.gz KLUCCGYJZFXWMK-IBGZPJMESA-N 0 1 368.525 4.494 20 30 FIEDMN C=CCCCCCN(C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000150883575 1086543343 /nfs/dbraw/zinc/54/33/43/1086543343.db2.gz OLOZABHYFHWRLD-UHFFFAOYSA-N 0 1 354.498 4.106 20 30 FIEDMN Cc1nn(Cc2ccccc2Cl)c(C)c1CNCc1cccc(C#N)c1 ZINC000066971987 1086607855 /nfs/dbraw/zinc/60/78/55/1086607855.db2.gz RCAOWVPRJWAXLG-UHFFFAOYSA-N 0 1 364.880 4.363 20 30 FIEDMN C=CCN(Cc1cccc(C#N)c1)Cc1ccc(OC)c(OC(F)F)c1 ZINC000512057812 1086718936 /nfs/dbraw/zinc/71/89/36/1086718936.db2.gz LZDAXSHWGHBOAH-UHFFFAOYSA-N 0 1 358.388 4.356 20 30 FIEDMN N#C[C@H](C(=O)c1csc(CCc2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000107408015 1086798914 /nfs/dbraw/zinc/79/89/14/1086798914.db2.gz OIYNOYMVCKUFNC-OAHLLOKOSA-N 0 1 372.453 4.295 20 30 FIEDMN N#CC(C(=O)c1csc(CCc2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000107408015 1086798918 /nfs/dbraw/zinc/79/89/18/1086798918.db2.gz OIYNOYMVCKUFNC-OAHLLOKOSA-N 0 1 372.453 4.295 20 30 FIEDMN N#CCc1ccc(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000583692952 1086917487 /nfs/dbraw/zinc/91/74/87/1086917487.db2.gz QKMCTKNDCRVNAS-FQEVSTJZSA-N 0 1 370.880 4.254 20 30 FIEDMN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000329363305 1086927150 /nfs/dbraw/zinc/92/71/50/1086927150.db2.gz JDFHJYHWWVAULR-PBHICJAKSA-N 0 1 373.472 4.010 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C)C[C@@H](C)C1 ZINC000246757038 1086952960 /nfs/dbraw/zinc/95/29/60/1086952960.db2.gz QNYKDLIKQPZGBL-GVDBMIGSSA-N 0 1 359.539 4.245 20 30 FIEDMN N#Cc1cccc(-c2csc(NC(=O)c3cn[nH]c3-c3ccccc3)n2)c1 ZINC000178996843 1087007456 /nfs/dbraw/zinc/00/74/56/1087007456.db2.gz QVSSLDLEMDADLY-UHFFFAOYSA-N 0 1 371.425 4.324 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN2CCC(C3CCOCC3)CC2)cc1 ZINC000584106748 1087175592 /nfs/dbraw/zinc/17/55/92/1087175592.db2.gz ZGDSBGOVVGHSJV-UHFFFAOYSA-N 0 1 351.412 4.196 20 30 FIEDMN COc1ccc(/C=C\C(=O)c2cc(F)ccc2O)cc1OCCCC#N ZINC000255622614 1087676567 /nfs/dbraw/zinc/67/65/67/1087676567.db2.gz OLALCGRTGJDMQB-DAXSKMNVSA-N 0 1 355.365 4.119 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2-c2nc(C(C)C)no2)n1 ZINC000505345439 1088358161 /nfs/dbraw/zinc/35/81/61/1088358161.db2.gz UGPMCKSBDIGAGT-CQSZACIVSA-N 0 1 352.419 4.115 20 30 FIEDMN N#Cc1cc(Br)ccc1CN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000376557894 1088423725 /nfs/dbraw/zinc/42/37/25/1088423725.db2.gz LPRQISBDOUODLV-QFBILLFUSA-N 0 1 371.278 4.188 20 30 FIEDMN Cc1cc(Br)c(NC(=O)c2ccc(C#N)c(O)c2)cc1Cl ZINC000189213990 1088451797 /nfs/dbraw/zinc/45/17/97/1088451797.db2.gz MQZMLQIICNPOAV-UHFFFAOYSA-N 0 1 365.614 4.241 20 30 FIEDMN Cc1cc(C#N)ccc1C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000178568501 1088635397 /nfs/dbraw/zinc/63/53/97/1088635397.db2.gz YSDIPAOCRNPBRH-JOCHJYFZSA-N 0 1 366.424 4.262 20 30 FIEDMN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2CSCC)n1 ZINC000434568817 1088772357 /nfs/dbraw/zinc/77/23/57/1088772357.db2.gz ZRTHCMPYURNCQN-AWEZNQCLSA-N 0 1 374.487 4.063 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccccc2CSCC)n1 ZINC000434568817 1088772368 /nfs/dbraw/zinc/77/23/68/1088772368.db2.gz ZRTHCMPYURNCQN-AWEZNQCLSA-N 0 1 374.487 4.063 20 30 FIEDMN N#CC1(c2ccccn2)CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000376740103 1088879006 /nfs/dbraw/zinc/87/90/06/1088879006.db2.gz QHBAUOMLDJIWKP-UHFFFAOYSA-N 0 1 361.367 4.038 20 30 FIEDMN N#C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000183590815 1089022513 /nfs/dbraw/zinc/02/25/13/1089022513.db2.gz VONWMMPGDLFKAQ-GFCCVEGCSA-N 0 1 355.608 4.347 20 30 FIEDMN CCSc1ccc([C@@H](C)N[C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000434873463 1089083413 /nfs/dbraw/zinc/08/34/13/1089083413.db2.gz JWHDRKOIYQJJMO-DYVFJYSZSA-N 0 1 371.531 4.188 20 30 FIEDMN CCN(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)c1ccccc1Cl ZINC000514518402 1089176698 /nfs/dbraw/zinc/17/66/98/1089176698.db2.gz FFGMDGDCGLOQQM-QGZVFWFLSA-N 0 1 373.844 4.010 20 30 FIEDMN C=CCC[C@@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1ccccc1 ZINC000434990905 1089190001 /nfs/dbraw/zinc/19/00/01/1089190001.db2.gz JYBGBACYVGJDQS-RTBURBONSA-N 0 1 357.523 4.358 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCC[C@@H](C)C2)cc1Cl ZINC000122422332 1089386440 /nfs/dbraw/zinc/38/64/40/1089386440.db2.gz MHQLPRNRRFQLLD-VNHYZAJKSA-N 0 1 362.857 4.212 20 30 FIEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cnc(C(C)C)s1 ZINC000122429887 1089391452 /nfs/dbraw/zinc/39/14/52/1089391452.db2.gz WAJODJXZYMXWTQ-OAHLLOKOSA-N 0 1 369.490 4.352 20 30 FIEDMN CC[C@H](C#N)Oc1cccc(CNCc2cnc(CC(F)(F)F)s2)c1 ZINC000892973427 1089539672 /nfs/dbraw/zinc/53/96/72/1089539672.db2.gz RAOWOXVFMJELLZ-CYBMUJFWSA-N 0 1 369.412 4.219 20 30 FIEDMN CCCCOCC(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000118600134 1089551247 /nfs/dbraw/zinc/55/12/47/1089551247.db2.gz MSOBKWJQEKLQMM-NSHDSACASA-N 0 1 350.390 4.081 20 30 FIEDMN N#C[C@@H](C(=O)C[C@@H]1CCC2(CCC2)CO1)c1cc(C(F)(F)F)ccn1 ZINC000893063820 1089777071 /nfs/dbraw/zinc/77/70/71/1089777071.db2.gz YCSGWKSAODQQBB-UONOGXRCSA-N 0 1 352.356 4.016 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccnc(Oc3ccccc3)c2)cc1 ZINC000728712099 1089801191 /nfs/dbraw/zinc/80/11/91/1089801191.db2.gz ZSNDWPRCOMJUBI-KRWDZBQOSA-N 0 1 359.429 4.455 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 ZINC000728711957 1089809388 /nfs/dbraw/zinc/80/93/88/1089809388.db2.gz PUYPSROBLFSSQU-IPHXSNPTSA-N 0 1 354.425 4.126 20 30 FIEDMN N#Cc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1Cl ZINC000515229717 1089901703 /nfs/dbraw/zinc/90/17/03/1089901703.db2.gz YRUUSZLLYYJYPQ-QGZVFWFLSA-N 0 1 372.856 4.153 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000122681636 1089908788 /nfs/dbraw/zinc/90/87/88/1089908788.db2.gz WTZQBUILYGHCPM-QGZVFWFLSA-N 0 1 361.420 4.401 20 30 FIEDMN N#Cc1cccc(OC2CCN(Cc3ccc(-c4ccccn4)nc3)CC2)c1 ZINC000584776529 1090880508 /nfs/dbraw/zinc/88/05/08/1090880508.db2.gz CMNDCHAJKIWRNM-UHFFFAOYSA-N 0 1 370.456 4.059 20 30 FIEDMN C=CCOc1c(Cl)cc(CN2CC[C@H](OC)C(C)(C)C2)cc1OC ZINC000628299747 1091420478 /nfs/dbraw/zinc/42/04/78/1091420478.db2.gz ZFKQVWRLBNXBCJ-KRWDZBQOSA-N 0 1 353.890 4.160 20 30 FIEDMN N#Cc1ccc2nc(N3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)ccc2c1 ZINC000092925501 1091517664 /nfs/dbraw/zinc/51/76/64/1091517664.db2.gz RQGSECQZMILNCE-LJQANCHMSA-N 0 1 366.428 4.233 20 30 FIEDMN N#Cc1ccc2nc(N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)ccc2c1 ZINC000092925501 1091517669 /nfs/dbraw/zinc/51/76/69/1091517669.db2.gz RQGSECQZMILNCE-LJQANCHMSA-N 0 1 366.428 4.233 20 30 FIEDMN CN(C)c1cc(C#N)cc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000432672227 1092060478 /nfs/dbraw/zinc/06/04/78/1092060478.db2.gz XLVGJLSJVILODW-UHFFFAOYSA-N 0 1 371.400 4.013 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000428106644 1092201262 /nfs/dbraw/zinc/20/12/62/1092201262.db2.gz KKMDXHMAJDXROB-INIZCTEOSA-N 0 1 369.515 4.176 20 30 FIEDMN C=CCOc1ccc(CNCc2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000512537743 1092675357 /nfs/dbraw/zinc/67/53/57/1092675357.db2.gz XXJHTZNAFVLCKG-UHFFFAOYSA-N 0 1 353.853 4.380 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1cc2ccccc2o1 ZINC000442885430 1092839738 /nfs/dbraw/zinc/83/97/38/1092839738.db2.gz XEZIETLQHKCYBZ-IZCOPSDLSA-N 0 1 367.493 4.403 20 30 FIEDMN N#Cc1cc(NC(=O)c2cn[nH]c2-c2ccccc2)ccc1OC(F)(F)F ZINC000442919252 1092866793 /nfs/dbraw/zinc/86/67/93/1092866793.db2.gz FPSDBXSPQKDFMP-UHFFFAOYSA-N 0 1 372.306 4.099 20 30 FIEDMN COc1cc(C#N)ccc1OC1CCN(Cc2cc(C)cc(F)c2)CC1 ZINC001143589479 1093142018 /nfs/dbraw/zinc/14/20/18/1093142018.db2.gz AHOYMTDEAFGAFF-UHFFFAOYSA-N 0 1 354.425 4.058 20 30 FIEDMN COC(=O)c1ccccc1-c1ccc(CN[C@@H](C)c2cccc(C#N)c2)o1 ZINC000614242795 1093283644 /nfs/dbraw/zinc/28/36/44/1093283644.db2.gz OCZLLMRQTFPCRK-HNNXBMFYSA-N 0 1 360.413 4.456 20 30 FIEDMN C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000439318523 1093329723 /nfs/dbraw/zinc/32/97/23/1093329723.db2.gz PABAXONERWUGNM-LPHOPBHVSA-N 0 1 358.445 4.376 20 30 FIEDMN C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000439326619 1093354408 /nfs/dbraw/zinc/35/44/08/1093354408.db2.gz JUWMPCVPHIXVGX-OXQOHEQNSA-N 0 1 358.445 4.376 20 30 FIEDMN N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc4nc[nH]c4c3)c2)cc1 ZINC000522360644 1093410980 /nfs/dbraw/zinc/41/09/80/1093410980.db2.gz JWMXBBVTTDHKQW-UHFFFAOYSA-N 0 1 368.396 4.266 20 30 FIEDMN N#CC[C@@H](CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000474195251 1093568631 /nfs/dbraw/zinc/56/86/31/1093568631.db2.gz GUBUMMBTWYPUCJ-PMACEKPBSA-N 0 1 365.477 4.010 20 30 FIEDMN C=CCCC1(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)CC1 ZINC000474199854 1093577259 /nfs/dbraw/zinc/57/72/59/1093577259.db2.gz RXRAYJQNZFPLCT-FQEVSTJZSA-N 0 1 356.510 4.085 20 30 FIEDMN CN(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)CC(C)(C)C#N ZINC000433328305 1093589314 /nfs/dbraw/zinc/58/93/14/1093589314.db2.gz WBHWINLACCEZJV-UHFFFAOYSA-N 0 1 365.477 4.076 20 30 FIEDMN N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000433370238 1093627249 /nfs/dbraw/zinc/62/72/49/1093627249.db2.gz DNLJXTUVXSVQRM-CYBMUJFWSA-N 0 1 354.360 4.212 20 30 FIEDMN CC[C@@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(Cl)cc1 ZINC000182309815 1093755773 /nfs/dbraw/zinc/75/57/73/1093755773.db2.gz HEEVWMONEYKCRX-SJKOYZFVSA-N 0 1 359.857 4.489 20 30 FIEDMN C=CCOc1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1OC ZINC000474435802 1093782627 /nfs/dbraw/zinc/78/26/27/1093782627.db2.gz CZGKGBYBPAAFNT-UHFFFAOYSA-N 0 1 351.761 4.010 20 30 FIEDMN CCC[C@H]1CN(C(=O)NCC(C)(C)CCC#N)CCN1Cc1ccccc1 ZINC000513130824 1093873185 /nfs/dbraw/zinc/87/31/85/1093873185.db2.gz YVCFHZPUMYUVRU-FQEVSTJZSA-N 0 1 370.541 4.012 20 30 FIEDMN C=CCCCSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000473512343 1093905385 /nfs/dbraw/zinc/90/53/85/1093905385.db2.gz HFODPBMPPNLQST-UHFFFAOYSA-N 0 1 354.273 4.301 20 30 FIEDMN C[C@H]1C[C@H](c2ccccc2)N(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000513247622 1094028185 /nfs/dbraw/zinc/02/81/85/1094028185.db2.gz SZSOTMLMUCJOSM-QFBILLFUSA-N 0 1 365.502 4.324 20 30 FIEDMN N#CC(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2ccccc2[nH]1 ZINC000041496710 1094619709 /nfs/dbraw/zinc/61/97/09/1094619709.db2.gz MSSUXFGXAVUHKJ-GFCCVEGCSA-N 0 1 362.370 4.176 20 30 FIEDMN O=C(NCC1(Cc2ccccc2)CCCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329037884 1094719819 /nfs/dbraw/zinc/71/98/19/1094719819.db2.gz NKZAEVMJEGLEGX-KRWDZBQOSA-N 0 1 352.482 4.059 20 30 FIEDMN O=C(NCC1(Cc2ccccc2)CCCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329037884 1094719836 /nfs/dbraw/zinc/71/98/36/1094719836.db2.gz NKZAEVMJEGLEGX-KRWDZBQOSA-N 0 1 352.482 4.059 20 30 FIEDMN CC1(C)CC[C@@H](CNC(=O)N2CCC(c3cnc[nH]3)CC2)c2ccccc21 ZINC000329084710 1094732547 /nfs/dbraw/zinc/73/25/47/1094732547.db2.gz FWSHOJIOBZMMER-KRWDZBQOSA-N 0 1 366.509 4.358 20 30 FIEDMN C[C@@H]1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC12CCC2 ZINC000329107653 1094741360 /nfs/dbraw/zinc/74/13/60/1094741360.db2.gz DYDGACKEJXHJLM-CYBMUJFWSA-N 0 1 365.424 4.021 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1 ZINC000501532738 1094762823 /nfs/dbraw/zinc/76/28/23/1094762823.db2.gz PECUHQDYLWSQPQ-MRXNPFEDSA-N 0 1 371.550 4.289 20 30 FIEDMN O=C(CN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)NC1CCCCCC1 ZINC000329205516 1094780218 /nfs/dbraw/zinc/78/02/18/1094780218.db2.gz XAAPQZYTZJGPAW-GOSISDBHSA-N 0 1 367.497 4.288 20 30 FIEDMN O=C(CN1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)NC1CCCCCC1 ZINC000329205516 1094780232 /nfs/dbraw/zinc/78/02/32/1094780232.db2.gz XAAPQZYTZJGPAW-GOSISDBHSA-N 0 1 367.497 4.288 20 30 FIEDMN N#CC1(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)CCCCC1 ZINC000329256117 1094798463 /nfs/dbraw/zinc/79/84/63/1094798463.db2.gz AUYLOYAFKRPNDZ-KRWDZBQOSA-N 0 1 369.513 4.032 20 30 FIEDMN CN1CCCN(C(=O)c2ccccc2NC(=O)CCC2CCCCC2)CC1 ZINC000329273571 1094810830 /nfs/dbraw/zinc/81/08/30/1094810830.db2.gz IZSHCVUISVWRDZ-UHFFFAOYSA-N 0 1 371.525 4.413 20 30 FIEDMN CC1(C)CC[C@H](NC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)C1 ZINC000329277849 1094812739 /nfs/dbraw/zinc/81/27/39/1094812739.db2.gz COWUWALFIDREPN-QWHCGFSZSA-N 0 1 358.408 4.032 20 30 FIEDMN Cc1ccc2[nH]c([C@@H]3CCCN(CC(=O)NC4CCCCC4)C3)nc2c1 ZINC000329290397 1094824008 /nfs/dbraw/zinc/82/40/08/1094824008.db2.gz NEGBXADGTDDLRS-MRXNPFEDSA-N 0 1 354.498 4.340 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(CC(=O)NC4CCCCC4)C3)[nH]c2c1 ZINC000329290397 1094824026 /nfs/dbraw/zinc/82/40/26/1094824026.db2.gz NEGBXADGTDDLRS-MRXNPFEDSA-N 0 1 354.498 4.340 20 30 FIEDMN Cc1cnn([C@@H]2CCCN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C2)c1 ZINC000329494298 1094937134 /nfs/dbraw/zinc/93/71/34/1094937134.db2.gz FILCDBLCXYOYDK-CQSZACIVSA-N 0 1 373.526 4.145 20 30 FIEDMN Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cnn1C1CCCCC1 ZINC000329516860 1094947973 /nfs/dbraw/zinc/94/79/73/1094947973.db2.gz PAJRJIIYYCLLHR-IBGZPJMESA-N 0 1 366.509 4.276 20 30 FIEDMN O=C(NC(C1CC1)C1CC1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329585573 1094984856 /nfs/dbraw/zinc/98/48/56/1094984856.db2.gz WLSIKGSENDZOOR-QGZVFWFLSA-N 0 1 371.529 4.134 20 30 FIEDMN Cc1cc(C)nc(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000329634189 1095033586 /nfs/dbraw/zinc/03/35/86/1095033586.db2.gz SWYSNYOFWRMILC-OAHLLOKOSA-N 0 1 370.522 4.459 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C2CCCC2)C1 ZINC000420963463 1095204518 /nfs/dbraw/zinc/20/45/18/1095204518.db2.gz NOJZWNUMHUFSOJ-FUHWJXTLSA-N 0 1 371.550 4.389 20 30 FIEDMN Cc1noc(C2CC2)c1NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000329775840 1095260352 /nfs/dbraw/zinc/26/03/52/1095260352.db2.gz NKHABJIURVFPFM-WMLDXEAASA-N 0 1 354.454 4.022 20 30 FIEDMN C[C@H](C(=O)NC1CCCC1)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000329794459 1095268745 /nfs/dbraw/zinc/26/87/45/1095268745.db2.gz VZEVLGKSOUOQAN-CYBMUJFWSA-N 0 1 359.445 4.434 20 30 FIEDMN Cc1oc2ccccc2c1CC(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1 ZINC000329836703 1095287069 /nfs/dbraw/zinc/28/70/69/1095287069.db2.gz MRHJCAIEDGUUPN-KRWDZBQOSA-N 0 1 370.493 4.274 20 30 FIEDMN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H](c4ccc(F)cc4)C3)C2)c1 ZINC000329931383 1095319302 /nfs/dbraw/zinc/31/93/02/1095319302.db2.gz BEEAIMUOUYKLCZ-DFQSSKMNSA-N 0 1 370.472 4.218 20 30 FIEDMN C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)C[C@H]1n1ccnc1 ZINC000329990663 1095340797 /nfs/dbraw/zinc/34/07/97/1095340797.db2.gz WIGZSJSFPPXRRT-MCYKXBRJSA-N 0 1 370.472 4.155 20 30 FIEDMN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)C2)c1 ZINC000330031551 1095358710 /nfs/dbraw/zinc/35/87/10/1095358710.db2.gz UEIDMFXPDIYUCC-MISYRCLQSA-N 0 1 370.472 4.218 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(F)c1)CC2 ZINC000330117743 1095385647 /nfs/dbraw/zinc/38/56/47/1095385647.db2.gz XKURTROZESDZIC-RTBURBONSA-N 0 1 370.472 4.212 20 30 FIEDMN COc1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1OC1CCCC1 ZINC000330131285 1095389385 /nfs/dbraw/zinc/38/93/85/1095389385.db2.gz PPCWCWRVTMAODS-MRXNPFEDSA-N 0 1 355.438 4.122 20 30 FIEDMN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330132613 1095389594 /nfs/dbraw/zinc/38/95/94/1095389594.db2.gz LMNZJSTUKCPFBR-GDZNZVCISA-N 0 1 360.889 4.479 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000330135632 1095389865 /nfs/dbraw/zinc/38/98/65/1095389865.db2.gz SSKUTPWAEKWLBB-RRFJBIMHSA-N 0 1 360.255 4.310 20 30 FIEDMN CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCCc4cn[nH]c43)c21 ZINC000330138786 1095391741 /nfs/dbraw/zinc/39/17/41/1095391741.db2.gz VUINUQDSHIXXDK-AWEZNQCLSA-N 0 1 365.437 4.329 20 30 FIEDMN CC(C)c1ccc(CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C2CC2)cc1 ZINC000330156714 1095399463 /nfs/dbraw/zinc/39/94/63/1095399463.db2.gz YXIHMQTUKBVMKV-LJQANCHMSA-N 0 1 352.482 4.489 20 30 FIEDMN Cc1noc(C2CCN(C(=O)N[C@@H]3CCC[C@@H](c4ccccc4)C3)CC2)n1 ZINC000330174364 1095402117 /nfs/dbraw/zinc/40/21/17/1095402117.db2.gz ICTVRIFNEHQCMW-RTBURBONSA-N 0 1 368.481 4.198 20 30 FIEDMN O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)N1CCC(c2cnc[nH]2)CC1 ZINC000330188063 1095409195 /nfs/dbraw/zinc/40/91/95/1095409195.db2.gz UEWIXWZFUONAJX-RBUKOAKNSA-N 0 1 352.482 4.230 20 30 FIEDMN COC(=O)c1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)c(C)s1 ZINC000502504572 1095521815 /nfs/dbraw/zinc/52/18/15/1095521815.db2.gz ABKCEPVKIXCMKX-UHFFFAOYSA-N 0 1 352.459 4.004 20 30 FIEDMN N#CCSCCCN1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502744896 1095780188 /nfs/dbraw/zinc/78/01/88/1095780188.db2.gz MWPVQZMNLRYYLX-GOSISDBHSA-N 0 1 358.486 4.390 20 30 FIEDMN N#Cc1ccc2ncc(CNC(c3cccs3)c3cccs3)n2c1 ZINC000367048515 1095873621 /nfs/dbraw/zinc/87/36/21/1095873621.db2.gz VWOOTZXRJROEJD-UHFFFAOYSA-N 0 1 350.472 4.208 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)CCCCC(=O)c3ccccc3)[nH]c21 ZINC000783386437 1096338666 /nfs/dbraw/zinc/33/86/66/1096338666.db2.gz QZQYLHLXVTTZKL-QGZVFWFLSA-N 0 1 359.429 4.491 20 30 FIEDMN Clc1ccc(C#CCN2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503402398 1096385346 /nfs/dbraw/zinc/38/53/46/1096385346.db2.gz ABFODGHMEXRLHH-GOSISDBHSA-N 0 1 353.897 4.104 20 30 FIEDMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000504009706 1096626875 /nfs/dbraw/zinc/62/68/75/1096626875.db2.gz ZLLZQFOBMXUNEF-INIZCTEOSA-N 0 1 373.422 4.456 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)c(Cl)c1 ZINC000504051706 1096647908 /nfs/dbraw/zinc/64/79/08/1096647908.db2.gz LHCNWEJEFKKMJZ-UHFFFAOYSA-N 0 1 357.822 4.008 20 30 FIEDMN N#Cc1ccc2nc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)[nH]c2c1 ZINC000504495400 1096786210 /nfs/dbraw/zinc/78/62/10/1096786210.db2.gz FLNPVXHOUDPGCL-UHFFFAOYSA-N 0 1 353.307 4.306 20 30 FIEDMN C[C@@H]1CCN(CC(=O)Nc2ccccc2SCC#N)[C@@H]2CCCC[C@@H]12 ZINC000532917964 1098608147 /nfs/dbraw/zinc/60/81/47/1098608147.db2.gz MCBPKXUZGBKGPY-SOLBZPMBSA-N 0 1 357.523 4.141 20 30 FIEDMN C=CCN(Cc1cc(OC)c(OCc2ccccc2)c(OC)c1)C1CC1 ZINC000515529626 1098668945 /nfs/dbraw/zinc/66/89/45/1098668945.db2.gz APKVMDHVOIGYAM-UHFFFAOYSA-N 0 1 353.462 4.433 20 30 FIEDMN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000515934664 1099048768 /nfs/dbraw/zinc/04/87/68/1099048768.db2.gz HOXLELHPLZWANO-CYBMUJFWSA-N 0 1 372.384 4.101 20 30 FIEDMN N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)cc3O)s2)cc1 ZINC000436857047 1099357116 /nfs/dbraw/zinc/35/71/16/1099357116.db2.gz BYSFQQALPVHLQG-UHFFFAOYSA-N 0 1 369.833 4.217 20 30 FIEDMN COc1ccc([C@@H](Cc2ccc(F)cc2)NCc2ccc(C#N)cn2)cc1 ZINC000615092148 1099694674 /nfs/dbraw/zinc/69/46/74/1099694674.db2.gz CEBJXRHOGJLKTL-JOCHJYFZSA-N 0 1 361.420 4.175 20 30 FIEDMN N#Cc1ccc(Cl)c(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000508720217 1099908415 /nfs/dbraw/zinc/90/84/15/1099908415.db2.gz QHHSASAGGZPOTE-QGZVFWFLSA-N 0 1 366.808 4.192 20 30 FIEDMN CN(Cc1csc2ccccc12)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000549990346 1099920393 /nfs/dbraw/zinc/92/03/93/1099920393.db2.gz LJRIVVRTELHGOS-LJQANCHMSA-N 0 1 361.470 4.010 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)c1ccco1 ZINC000455697726 1099949349 /nfs/dbraw/zinc/94/93/49/1099949349.db2.gz FCJNVXVNLQUMAC-QGZVFWFLSA-N 0 1 374.872 4.204 20 30 FIEDMN CCCN1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000437497372 1099957119 /nfs/dbraw/zinc/95/71/19/1099957119.db2.gz RSBIHGJXCKGSTF-SFHVURJKSA-N 0 1 367.424 4.303 20 30 FIEDMN C=CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccco1 ZINC000476013854 1100018021 /nfs/dbraw/zinc/01/80/21/1100018021.db2.gz UKVJXCHJUHEGHO-NQIIRXRSSA-N 0 1 354.494 4.297 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Br)c(C)c3)[nH]c21 ZINC000533869294 1100049559 /nfs/dbraw/zinc/04/95/59/1100049559.db2.gz SKZFDHOLUGOMCP-CYBMUJFWSA-N 0 1 368.234 4.432 20 30 FIEDMN Cc1cc(-c2ncccc2NS(=O)(=O)c2ccc(C#N)cc2C)cs1 ZINC000437671121 1100084217 /nfs/dbraw/zinc/08/42/17/1100084217.db2.gz FJTPJSCZAUFJAZ-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN Cc1ccccc1C[C@@H](C)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000517229443 1100206541 /nfs/dbraw/zinc/20/65/41/1100206541.db2.gz VINXRODSKSWIIK-QGZVFWFLSA-N 0 1 367.518 4.112 20 30 FIEDMN N#CCCSc1ccccc1NS(=O)(=O)c1ccccc1Cl ZINC000517433851 1100371819 /nfs/dbraw/zinc/37/18/19/1100371819.db2.gz GGQQPVXXCZTQGX-UHFFFAOYSA-N 0 1 352.868 4.147 20 30 FIEDMN C=C(C)CCSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000506396696 1100960345 /nfs/dbraw/zinc/96/03/45/1100960345.db2.gz LTSYRXMKABZUSI-UHFFFAOYSA-N 0 1 354.273 4.301 20 30 FIEDMN CCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000509572645 1100967914 /nfs/dbraw/zinc/96/79/14/1100967914.db2.gz CGFCKDAWEMLIPS-INIZCTEOSA-N 0 1 358.445 4.480 20 30 FIEDMN C[C@@H]1C[C@@H](c2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000439316532 1101327589 /nfs/dbraw/zinc/32/75/89/1101327589.db2.gz LGFUGFGCXXIUBY-CTNGQTDRSA-N 0 1 361.489 4.201 20 30 FIEDMN N#Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000506552299 1101356807 /nfs/dbraw/zinc/35/68/07/1101356807.db2.gz FKZWWKDCDXCGKV-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c(Cl)c1 ZINC000439440410 1101440396 /nfs/dbraw/zinc/44/03/96/1101440396.db2.gz PYHANIYPRQLRGF-KRWDZBQOSA-N 0 1 353.853 4.062 20 30 FIEDMN CC[C@H]1Oc2cc([C@H](C)NCC#Cc3cccc(Cl)c3)ccc2NC1=O ZINC000537154366 1101500554 /nfs/dbraw/zinc/50/05/54/1101500554.db2.gz IWLSBBKCCFLBQS-IFXJQAMLSA-N 0 1 368.864 4.152 20 30 FIEDMN C=CCOc1ccc(CN2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000506647722 1101673005 /nfs/dbraw/zinc/67/30/05/1101673005.db2.gz HLRUOLHAJFXXMX-UHFFFAOYSA-N 0 1 365.473 4.355 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@H]3CCC[C@H]32)c1C#N ZINC000426476353 1101714755 /nfs/dbraw/zinc/71/47/55/1101714755.db2.gz RSSHSMIMRBAIEA-FXAWDEMLSA-N 0 1 368.525 4.295 20 30 FIEDMN CC(C)CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000518984548 1101798421 /nfs/dbraw/zinc/79/84/21/1101798421.db2.gz ASDUDTIHJFNGAD-IBGZPJMESA-N 0 1 364.449 4.397 20 30 FIEDMN Cc1ccc(-c2ncc(CN3CCC4(CC3)CC(=O)C=CO4)s2)cc1C ZINC000897599698 1101935274 /nfs/dbraw/zinc/93/52/74/1101935274.db2.gz RQXSLNPURAPAMY-UHFFFAOYSA-N 0 1 368.502 4.265 20 30 FIEDMN O=C([O-])c1ccc(N=NC2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c(F)c1 ZINC000841641748 1101998240 /nfs/dbraw/zinc/99/82/40/1101998240.db2.gz UQNBXUBORMMSCL-FQEVSTJZSA-N 0 1 367.424 4.291 20 30 FIEDMN CCCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000026450686 1102008753 /nfs/dbraw/zinc/00/87/53/1102008753.db2.gz HIGYYTIXAPTTMJ-UHFFFAOYSA-N 0 1 356.514 4.295 20 30 FIEDMN Cc1cccc(C)c1OCCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000533911994 1102147577 /nfs/dbraw/zinc/14/75/77/1102147577.db2.gz OOIFWZPCHFAVRI-UHFFFAOYSA-N 0 1 355.482 4.428 20 30 FIEDMN CC(C)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1 ZINC000610664908 1102179136 /nfs/dbraw/zinc/17/91/36/1102179136.db2.gz UITFXXXGPUFCLU-UHFFFAOYSA-N 0 1 369.896 4.497 20 30 FIEDMN CCc1cc(N=NCc2cnc(C3CCC3)s2)nc(-c2ccccn2)n1 ZINC000760254013 1102218502 /nfs/dbraw/zinc/21/85/02/1102218502.db2.gz ZEHMTJGRRSHZJP-UHFFFAOYSA-N 0 1 364.478 4.271 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1C(C)(C)C ZINC000532581777 1102503211 /nfs/dbraw/zinc/50/32/11/1102503211.db2.gz VGRMVJKPNLWNJP-MAUKXSAKSA-N 0 1 359.539 4.387 20 30 FIEDMN CC[C@H](C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000550142167 1102587002 /nfs/dbraw/zinc/58/70/02/1102587002.db2.gz ABTQWKJIDMEIJU-PGRDOPGGSA-N 0 1 363.505 4.378 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cnc(-c2ccccc2)s1 ZINC000123022233 1102746218 /nfs/dbraw/zinc/74/62/18/1102746218.db2.gz UMNIRCRMNZIMOY-CQSZACIVSA-N 0 1 358.426 4.187 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnc(-c2ccccc2)s1 ZINC000123022233 1102746232 /nfs/dbraw/zinc/74/62/32/1102746232.db2.gz UMNIRCRMNZIMOY-CQSZACIVSA-N 0 1 358.426 4.187 20 30 FIEDMN COc1cc2nccc(N3CCC(C)(C#N)CC3)c2cc1Br ZINC000425243382 1102925075 /nfs/dbraw/zinc/92/50/75/1102925075.db2.gz FKHLBLZSOUMETJ-UHFFFAOYSA-N 0 1 360.255 4.136 20 30 FIEDMN N#Cc1ccc(Oc2cccc(C(=O)Nc3ncc(C(F)(F)F)[nH]3)c2)cc1 ZINC000506922104 1102957904 /nfs/dbraw/zinc/95/79/04/1102957904.db2.gz FUDKDAUXQLBFQH-UHFFFAOYSA-N 0 1 372.306 4.345 20 30 FIEDMN C=CCOc1ccc(CNCc2ccnc(OC(F)F)c2)cc1Cl ZINC000551268511 1103028811 /nfs/dbraw/zinc/02/88/11/1103028811.db2.gz GNARWLVWXYOTIE-UHFFFAOYSA-N 0 1 354.784 4.191 20 30 FIEDMN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2C#N)CC1 ZINC000503615662 1103102928 /nfs/dbraw/zinc/10/29/28/1103102928.db2.gz MYYOWVCKHHDNII-OAHLLOKOSA-N 0 1 359.395 4.460 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(C)c(F)c2)no1 ZINC001211975566 1103131645 /nfs/dbraw/zinc/13/16/45/1103131645.db2.gz KVIYXVOONGDXHG-AEFFLSMTSA-N 0 1 361.461 4.262 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cc(F)ccc2C)no1 ZINC001211975923 1103138328 /nfs/dbraw/zinc/13/83/28/1103138328.db2.gz UNAFQIVJDRFVJX-AEFFLSMTSA-N 0 1 361.461 4.262 20 30 FIEDMN CN(C)[C@H]1CCOc2c(NC(=O)C[C@@H](CC#N)c3ccccc3)cccc21 ZINC000477159686 1103179363 /nfs/dbraw/zinc/17/93/63/1103179363.db2.gz WMPYRUHBXFHVOY-XLIONFOSSA-N 0 1 363.461 4.098 20 30 FIEDMN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000507204576 1103202884 /nfs/dbraw/zinc/20/28/84/1103202884.db2.gz RKFIPNOOHJPKOK-ZDUSSCGKSA-N 0 1 358.367 4.418 20 30 FIEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1ccccc1-c1ccccc1 ZINC000507276431 1103263269 /nfs/dbraw/zinc/26/32/69/1103263269.db2.gz WWEUJXHVAUJICQ-FDDCHVKYSA-N 0 1 363.505 4.228 20 30 FIEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CCc1cccc2ccccc21 ZINC000507315159 1103287306 /nfs/dbraw/zinc/28/73/06/1103287306.db2.gz FWUQQQSSRLDYEI-KRWDZBQOSA-N 0 1 357.457 4.213 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN(C)CCC2CCCCC2)c1C ZINC000507599084 1103531797 /nfs/dbraw/zinc/53/17/97/1103531797.db2.gz QDTZPYWLOYBUAR-UHFFFAOYSA-N 0 1 355.526 4.452 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H]1CCCN1CCCOc1cccc(C#N)c1 ZINC000477634048 1103758442 /nfs/dbraw/zinc/75/84/42/1103758442.db2.gz AOAHWPWXFSAZQZ-NRFANRHFSA-N 0 1 360.461 4.051 20 30 FIEDMN CC(C)CN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(C#N)cc1 ZINC000519908554 1103936794 /nfs/dbraw/zinc/93/67/94/1103936794.db2.gz DGKREDXWPATDID-UHFFFAOYSA-N 0 1 361.489 4.144 20 30 FIEDMN C[C@H](N=c1ccc2cc(C#N)ccc2[nH]1)c1nc2ccccc2n1C(F)F ZINC000537872193 1103984460 /nfs/dbraw/zinc/98/44/60/1103984460.db2.gz BFNPSZLUTZNAQJ-LBPRGKRZSA-N 0 1 363.371 4.446 20 30 FIEDMN C[C@H](NCc1cccc(C#N)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000151397373 1104149324 /nfs/dbraw/zinc/14/93/24/1104149324.db2.gz OUCIRVVNQFLJIE-INIZCTEOSA-N 0 1 368.502 4.125 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@@H](C)c3ccc(C#N)cc3)[nH]c2c1 ZINC000141291369 1104216273 /nfs/dbraw/zinc/21/62/73/1104216273.db2.gz DBJWVGKKQZADAM-MGPUTAFESA-N 0 1 373.460 4.351 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)C(=O)N(C)CCC#N ZINC000112532712 1104367328 /nfs/dbraw/zinc/36/73/28/1104367328.db2.gz UOQBLRLLZSDGDF-HZPDHXFCSA-N 0 1 369.440 4.029 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc(CC(F)(F)F)s1 ZINC000894964466 1104389760 /nfs/dbraw/zinc/38/97/60/1104389760.db2.gz REDKBGFKVKOEEB-OAHLLOKOSA-N 0 1 351.397 4.287 20 30 FIEDMN N#CCCCCC(=O)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1 ZINC000894987993 1104443956 /nfs/dbraw/zinc/44/39/56/1104443956.db2.gz XBVBCSPPKRFDCC-UHFFFAOYSA-N 0 1 353.388 4.324 20 30 FIEDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2coc(C3CCCC3)n2)CC1 ZINC000328739591 1104546149 /nfs/dbraw/zinc/54/61/49/1104546149.db2.gz HZVAWVQROFHYLZ-HNNXBMFYSA-N 0 1 368.481 4.257 20 30 FIEDMN Cc1cccc(NC(=O)[C@@H]2CCCN([C@H](C)C(=O)NC3CCCCC3)C2)n1 ZINC000328799493 1104570190 /nfs/dbraw/zinc/57/01/90/1104570190.db2.gz HGBSIHKZGHVSSA-IAGOWNOFSA-N 0 1 372.513 4.368 20 30 FIEDMN Cc1ccccc1C1(CNC(=O)[C@@H]2CCc3[nH]nnc3C2)CCCCC1 ZINC000328796521 1104570710 /nfs/dbraw/zinc/57/07/10/1104570710.db2.gz UWCODVNMABONAI-MRXNPFEDSA-N 0 1 352.482 4.077 20 30 FIEDMN Cc1ccccc1C1(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)CCCCC1 ZINC000328796521 1104570714 /nfs/dbraw/zinc/57/07/14/1104570714.db2.gz UWCODVNMABONAI-MRXNPFEDSA-N 0 1 352.482 4.077 20 30 FIEDMN [O-]C(=[NH+]CCc1cnc(C2CC2)nc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000328859364 1104580567 /nfs/dbraw/zinc/58/05/67/1104580567.db2.gz LDFDILOLSUECIU-LJQANCHMSA-N 0 1 364.493 4.080 20 30 FIEDMN CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000328913233 1104600668 /nfs/dbraw/zinc/60/06/68/1104600668.db2.gz PJXNGCXPQGIERR-SWLSCSKDSA-N 0 1 367.902 4.233 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000127742936 1104765699 /nfs/dbraw/zinc/76/56/99/1104765699.db2.gz RZFKEURABFJFEL-ZACQAIPSSA-N 0 1 359.539 4.387 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000127742936 1104765704 /nfs/dbraw/zinc/76/57/04/1104765704.db2.gz RZFKEURABFJFEL-ZACQAIPSSA-N 0 1 359.539 4.387 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](CC2CC2)C1 ZINC000550409738 1104787831 /nfs/dbraw/zinc/78/78/31/1104787831.db2.gz XJEWZFRIGATMOU-WBVHZDCISA-N 0 1 357.523 4.141 20 30 FIEDMN N#CC(C(=O)c1csc(-c2ccoc2)n1)c1ccc(C(F)(F)F)cn1 ZINC000108624309 1105226594 /nfs/dbraw/zinc/22/65/94/1105226594.db2.gz SQINFNDPOXVCSF-LLVKDONJSA-N 0 1 363.320 4.307 20 30 FIEDMN N#C[C@@H](C(=O)c1csc(-c2ccoc2)n1)c1ccc(C(F)(F)F)cn1 ZINC000108624309 1105226597 /nfs/dbraw/zinc/22/65/97/1105226597.db2.gz SQINFNDPOXVCSF-LLVKDONJSA-N 0 1 363.320 4.307 20 30 FIEDMN N#Cc1cc(NS(=O)(=O)c2ccsc2)ccc1Oc1ccccc1 ZINC000507918717 1105266233 /nfs/dbraw/zinc/26/62/33/1105266233.db2.gz GJSUFOUQWMGZMP-UHFFFAOYSA-N 0 1 356.428 4.213 20 30 FIEDMN N#CCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000507933058 1105276428 /nfs/dbraw/zinc/27/64/28/1105276428.db2.gz AWBJYTDICCUGNM-UHFFFAOYSA-N 0 1 374.771 4.226 20 30 FIEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000508072094 1105320292 /nfs/dbraw/zinc/32/02/92/1105320292.db2.gz DJBJZEZHTJAPQX-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000508092922 1105321892 /nfs/dbraw/zinc/32/18/92/1105321892.db2.gz BQVKPWPRZBEHCO-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN N#Cc1ccc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)cc1F ZINC000451144129 1106944081 /nfs/dbraw/zinc/94/40/81/1106944081.db2.gz HCVCZYALGJDCKB-UHFFFAOYSA-N 0 1 350.315 4.375 20 30 FIEDMN Cc1ccccc1[C@H](CO)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000530619047 1107200169 /nfs/dbraw/zinc/20/01/69/1107200169.db2.gz BSUFNYQQLLEBNV-DEOSSOPVSA-N 0 1 372.468 4.269 20 30 FIEDMN CCCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCC[C@H]1OC ZINC000451655238 1107243038 /nfs/dbraw/zinc/24/30/38/1107243038.db2.gz XNHFYARDWWCKMV-RTBURBONSA-N 0 1 368.481 4.168 20 30 FIEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCc1nc(-c2ccccc2)no1 ZINC000530971106 1107436375 /nfs/dbraw/zinc/43/63/75/1107436375.db2.gz QCBQUJFNWVJELW-UXHICEINSA-N 0 1 358.445 4.051 20 30 FIEDMN N#Cc1ccccc1COc1cccc(CNCc2cccc3c2OCO3)c1 ZINC000109015424 1107438912 /nfs/dbraw/zinc/43/89/12/1107438912.db2.gz DXNDFPBIZATWQF-UHFFFAOYSA-N 0 1 372.424 4.156 20 30 FIEDMN COc1cccc(CN(Cc2ccc(C#N)cc2F)C2CCC(O)CC2)c1 ZINC000102176291 1107586524 /nfs/dbraw/zinc/58/65/24/1107586524.db2.gz USSFUOVHBZVKNG-UHFFFAOYSA-N 0 1 368.452 4.012 20 30 FIEDMN COc1ccc(CN(CCc2ccccn2)Cc2cc(C#N)cs2)cc1 ZINC000475570195 1107773414 /nfs/dbraw/zinc/77/34/14/1107773414.db2.gz KMHIEAQVQQJJMO-UHFFFAOYSA-N 0 1 363.486 4.268 20 30 FIEDMN COc1cc(CN[C@@H](C)c2ccc(OCC3CC3)c(F)c2)ccc1C#N ZINC000440640180 1108391836 /nfs/dbraw/zinc/39/18/36/1108391836.db2.gz RHWYPALJAVATHU-AWEZNQCLSA-N 0 1 354.425 4.346 20 30 FIEDMN N#CC(C(=O)c1ccnn1C1CCCC1)c1nc(-c2ccncc2)cs1 ZINC000531976522 1108490051 /nfs/dbraw/zinc/49/00/51/1108490051.db2.gz VYAFNCZOVNHQSR-OAHLLOKOSA-N 0 1 363.446 4.007 20 30 FIEDMN CC(F)(F)c1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000453563472 1108601528 /nfs/dbraw/zinc/60/15/28/1108601528.db2.gz DLUVMQBMZAVKQK-LLVKDONJSA-N 0 1 355.266 4.097 20 30 FIEDMN CC(F)(F)c1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000453563472 1108601544 /nfs/dbraw/zinc/60/15/44/1108601544.db2.gz DLUVMQBMZAVKQK-LLVKDONJSA-N 0 1 355.266 4.097 20 30 FIEDMN Cc1c(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cnn1-c1ccc(C)cc1 ZINC000524031446 1108762638 /nfs/dbraw/zinc/76/26/38/1108762638.db2.gz DQWSRTDRPLBNRV-KRWDZBQOSA-N 0 1 369.428 4.164 20 30 FIEDMN Cc1cccc(S(=O)(=O)Nc2cccc(COC(C)(C)C)c2C)c1C#N ZINC000440813272 1108890551 /nfs/dbraw/zinc/89/05/51/1108890551.db2.gz MKKJCBOVXHJAKX-UHFFFAOYSA-N 0 1 372.490 4.291 20 30 FIEDMN CN(C)[C@@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000527262148 1109727177 /nfs/dbraw/zinc/72/71/77/1109727177.db2.gz SKAHVUVHDDMXCO-QUCCMNQESA-N 0 1 369.896 4.146 20 30 FIEDMN N#Cc1cccc(-c2cc(C(=O)Nc3c(F)cc(Cl)cc3F)on2)c1 ZINC000448346898 1109778702 /nfs/dbraw/zinc/77/87/02/1109778702.db2.gz SNGWSJYCGYJYLN-UHFFFAOYSA-N 0 1 359.719 4.397 20 30 FIEDMN N#Cc1csc(CN[C@H]2CCc3c2ccc(F)c3Br)c1 ZINC000449547583 1110105918 /nfs/dbraw/zinc/10/59/18/1110105918.db2.gz IWPMGKJOATUVNE-AWEZNQCLSA-N 0 1 351.244 4.298 20 30 FIEDMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCc1ccc(C#N)c(F)c1 ZINC000449736577 1110159406 /nfs/dbraw/zinc/15/94/06/1110159406.db2.gz VYUTWJOJRPPEQU-UHFFFAOYSA-N 0 1 362.452 4.157 20 30 FIEDMN CCn1nc(C)cc1C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000102121263 1110251686 /nfs/dbraw/zinc/25/16/86/1110251686.db2.gz HTCRLEAOLLUELM-CQSZACIVSA-N 0 1 370.865 4.478 20 30 FIEDMN N#CC1(CN2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)CCC1 ZINC000450570333 1110315407 /nfs/dbraw/zinc/31/54/07/1110315407.db2.gz QAEUFIJJBLRCGN-UHFFFAOYSA-N 0 1 366.292 4.338 20 30 FIEDMN N#Cc1ccc(CNCCOc2ccc3cc(Br)ccc3c2)o1 ZINC000538395787 1111123051 /nfs/dbraw/zinc/12/30/51/1111123051.db2.gz FTQRSJHNQOWPQV-UHFFFAOYSA-N 0 1 371.234 4.236 20 30 FIEDMN CCOCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538507197 1111172977 /nfs/dbraw/zinc/17/29/77/1111172977.db2.gz NCBKWKAJECEHIK-INIZCTEOSA-N 0 1 356.441 4.272 20 30 FIEDMN C[C@@H](C(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1)c1cccc(C#N)c1 ZINC000461899279 1111402532 /nfs/dbraw/zinc/40/25/32/1111402532.db2.gz IPUVXWMQOWGSIU-CQSZACIVSA-N 0 1 367.412 4.239 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](C)c3cccc(C#N)c3)[nH]c2c1 ZINC000462021818 1111466836 /nfs/dbraw/zinc/46/68/36/1111466836.db2.gz CERNETQUVCXYLN-YWZLYKJASA-N 0 1 358.445 4.210 20 30 FIEDMN CC(C)Sc1ccc([C@@H](C)NCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000539303750 1111512833 /nfs/dbraw/zinc/51/28/33/1111512833.db2.gz KEQVKNYVILAVEU-MRXNPFEDSA-N 0 1 367.518 4.026 20 30 FIEDMN CC(C)C(=O)Nc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000041498602 1111516838 /nfs/dbraw/zinc/51/68/38/1111516838.db2.gz WJNOJIHXOMVHOG-OAHLLOKOSA-N 0 1 363.442 4.381 20 30 FIEDMN CC(C)C(=O)Nc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000041498606 1111517087 /nfs/dbraw/zinc/51/70/87/1111517087.db2.gz WJNOJIHXOMVHOG-HNNXBMFYSA-N 0 1 363.442 4.381 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)n1 ZINC000041516760 1111580505 /nfs/dbraw/zinc/58/05/05/1111580505.db2.gz HKOQUFHPCOWLFT-AWEZNQCLSA-N 0 1 356.838 4.089 20 30 FIEDMN COc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1Br ZINC000041544004 1111627316 /nfs/dbraw/zinc/62/73/16/1111627316.db2.gz GVNFYMLZELRKQG-LLVKDONJSA-N 0 1 371.190 4.089 20 30 FIEDMN COCc1ccccc1/C=C(\C)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000552235500 1111631447 /nfs/dbraw/zinc/63/14/47/1111631447.db2.gz JRUDGFINOSMWNV-XDJHFCHBSA-N 0 1 361.489 4.189 20 30 FIEDMN CC[C@@H]1Oc2cc([C@H](C)NCC#Cc3ccc(Cl)cc3)ccc2NC1=O ZINC000553010256 1111881661 /nfs/dbraw/zinc/88/16/61/1111881661.db2.gz AQTLLMOSKQGFMV-LIRRHRJNSA-N 0 1 368.864 4.152 20 30 FIEDMN Cc1cc(NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc(C#N)n1 ZINC000553145408 1111917752 /nfs/dbraw/zinc/91/77/52/1111917752.db2.gz VVEDPXMJIDBQRV-AUUYWEPGSA-N 0 1 358.848 4.159 20 30 FIEDMN CSc1ccc(C)c(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479505796 1112049839 /nfs/dbraw/zinc/04/98/39/1112049839.db2.gz WEJFZQDDOKXSFN-UHFFFAOYSA-N 0 1 352.868 4.043 20 30 FIEDMN CC[C@@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(C#N)cc1 ZINC000479523860 1112052194 /nfs/dbraw/zinc/05/21/94/1112052194.db2.gz AINZBNNDEKTKOW-SJORKVTESA-N 0 1 364.367 4.231 20 30 FIEDMN C[C@H](NCc1ccc(Br)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000554114913 1112207865 /nfs/dbraw/zinc/20/78/65/1112207865.db2.gz WIVLVGKAAWDLRP-JTQLQIEISA-N 0 1 351.194 4.450 20 30 FIEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000554253117 1112263400 /nfs/dbraw/zinc/26/34/00/1112263400.db2.gz GQVXFOFCHKROKP-FQEVSTJZSA-N 0 1 361.917 4.099 20 30 FIEDMN C[C@@H]1C[C@@H](c2cccnc2)N(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000554262648 1112271112 /nfs/dbraw/zinc/27/11/12/1112271112.db2.gz CFZCZEXGQRWVTG-BEFAXECRSA-N 0 1 360.379 4.415 20 30 FIEDMN N#CCC[C@H](C#N)CNCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000554552296 1112393096 /nfs/dbraw/zinc/39/30/96/1112393096.db2.gz RMAAODKBCTXALP-HXUWFJFHSA-N 0 1 369.472 4.132 20 30 FIEDMN CC(C)N(C)c1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000480384532 1112412821 /nfs/dbraw/zinc/41/28/21/1112412821.db2.gz MYZWERQYJQQOCX-UHFFFAOYSA-N 0 1 361.411 4.086 20 30 FIEDMN N#Cc1ccc(NC(=O)CCN2CCc3c(Cl)cccc3C2)cc1Cl ZINC000554954130 1112589419 /nfs/dbraw/zinc/58/94/19/1112589419.db2.gz NSKKQCVLBMOGMF-UHFFFAOYSA-N 0 1 374.271 4.252 20 30 FIEDMN CC[C@@H](C)n1nc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1C ZINC000480940045 1112688322 /nfs/dbraw/zinc/68/83/22/1112688322.db2.gz JJIPVOXLELARMJ-DGCLKSJQSA-N 0 1 371.391 4.397 20 30 FIEDMN COc1ccc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1OCCCC#N ZINC000600182497 1112918149 /nfs/dbraw/zinc/91/81/49/1112918149.db2.gz DKXZOYDZHHJBEN-GASCZTMLSA-N 0 1 352.425 4.101 20 30 FIEDMN CCOc1ccc(C[C@@H](C)C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1 ZINC000842306662 1112934177 /nfs/dbraw/zinc/93/41/77/1112934177.db2.gz KMONXIXYWUTFFL-CRAIPNDOSA-N 0 1 361.445 4.325 20 30 FIEDMN CCOc1ccc(C[C@H](C)C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1 ZINC000842306663 1112934254 /nfs/dbraw/zinc/93/42/54/1112934254.db2.gz KMONXIXYWUTFFL-MAUKXSAKSA-N 0 1 361.445 4.325 20 30 FIEDMN C=C(C)[C@H](NCCC(=O)Nc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000481600794 1112992693 /nfs/dbraw/zinc/99/26/93/1112992693.db2.gz ZTUKWZXTTPSKOI-FQEVSTJZSA-N 0 1 360.404 4.209 20 30 FIEDMN C=CCC1(O)CCN(c2ccnc3cc(OC(F)(F)F)ccc32)CC1 ZINC000899876773 1113040475 /nfs/dbraw/zinc/04/04/75/1113040475.db2.gz NYGLUEJEQMUSCN-UHFFFAOYSA-N 0 1 352.356 4.041 20 30 FIEDMN CN(C)C[C@H](NC(=O)CCCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000600472708 1113045821 /nfs/dbraw/zinc/04/58/21/1113045821.db2.gz ONZBAGPAINJTOM-INIZCTEOSA-N 0 1 356.297 4.186 20 30 FIEDMN CC(C)(C#N)c1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1 ZINC000159807192 1113236218 /nfs/dbraw/zinc/23/62/18/1113236218.db2.gz CSHIJLGAABCQLI-UHFFFAOYSA-N 0 1 359.223 4.208 20 30 FIEDMN CC[C@@H](C)n1ncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000482571551 1113300566 /nfs/dbraw/zinc/30/05/66/1113300566.db2.gz CCFFBZRTUHPISK-DGCLKSJQSA-N 0 1 371.391 4.397 20 30 FIEDMN Cc1nnc(-c2ccc(C(=O)C(C#N)c3nccc4ccccc43)cc2)o1 ZINC000483210975 1113466169 /nfs/dbraw/zinc/46/61/69/1113466169.db2.gz FPKAUDQHVIIQJH-SFHVURJKSA-N 0 1 354.369 4.083 20 30 FIEDMN C=C(C)COc1cc(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)ccc1OC ZINC000486723590 1113630162 /nfs/dbraw/zinc/63/01/62/1113630162.db2.gz RRLJKKIZRPVWSD-LSDHHAIUSA-N 0 1 358.486 4.133 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000486947071 1113682825 /nfs/dbraw/zinc/68/28/25/1113682825.db2.gz RDGXUHFBZHBOPX-KBPBESRZSA-N 0 1 357.458 4.156 20 30 FIEDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000489233457 1114074104 /nfs/dbraw/zinc/07/41/04/1114074104.db2.gz PRUIPBQMJSCRAN-INIZCTEOSA-N 0 1 365.433 4.379 20 30 FIEDMN CCOc1cccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000571366298 1114464547 /nfs/dbraw/zinc/46/45/47/1114464547.db2.gz XIWQXNBDRPCADY-UHFFFAOYSA-N 0 1 354.425 4.139 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cnn(-c3ccccc3F)c2)n1 ZINC000080450294 1114603160 /nfs/dbraw/zinc/60/31/60/1114603160.db2.gz QNWKCQKMZNYMHN-CYBMUJFWSA-N 0 1 354.410 4.081 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000589740538 1114831324 /nfs/dbraw/zinc/83/13/24/1114831324.db2.gz XQOSKZIACHSREF-IBGZPJMESA-N 0 1 369.465 4.193 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NC[C@H](c2ccco2)N(CC)CC)c1 ZINC000589739161 1114837017 /nfs/dbraw/zinc/83/70/17/1114837017.db2.gz JTHFARLGJYBHMQ-LJQANCHMSA-N 0 1 371.481 4.439 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000589740279 1114837763 /nfs/dbraw/zinc/83/77/63/1114837763.db2.gz OZEZJVSZKUYVOV-FQEVSTJZSA-N 0 1 371.456 4.205 20 30 FIEDMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000590156333 1114901798 /nfs/dbraw/zinc/90/17/98/1114901798.db2.gz FBTJMGVHSWONFP-UHFFFAOYSA-N 0 1 361.405 4.018 20 30 FIEDMN N#CC1(CC(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)CC1 ZINC000590161668 1114901881 /nfs/dbraw/zinc/90/18/81/1114901881.db2.gz DQPVPPHVXYZWES-UHFFFAOYSA-N 0 1 352.344 4.140 20 30 FIEDMN Cc1nc(CC(C)C)sc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000590208517 1114906959 /nfs/dbraw/zinc/90/69/59/1114906959.db2.gz SDHQZVBVISLUQG-ZDUSSCGKSA-N 0 1 352.463 4.027 20 30 FIEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000590954071 1114996251 /nfs/dbraw/zinc/99/62/51/1114996251.db2.gz GTKQJUIBKOHLQC-KRWDZBQOSA-N 0 1 360.417 4.327 20 30 FIEDMN C[C@@H](c1nc2ccccc2s1)N(C)CCC(=O)Nc1sccc1C#N ZINC000057800351 1115007066 /nfs/dbraw/zinc/00/70/66/1115007066.db2.gz LKBORHDEAWKJKV-LBPRGKRZSA-N 0 1 370.503 4.251 20 30 FIEDMN N#CCn1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc2ccccc21 ZINC000591861688 1115166139 /nfs/dbraw/zinc/16/61/39/1115166139.db2.gz BEKDTNSPYSJXOK-KRWDZBQOSA-N 0 1 350.381 4.203 20 30 FIEDMN N#CC(C(=O)c1ccc(C(F)(F)F)nc1)c1nc2cc(F)ccc2s1 ZINC000592974099 1115272868 /nfs/dbraw/zinc/27/28/68/1115272868.db2.gz NSTNEVYYBDMBCW-SNVBAGLBSA-N 0 1 365.311 4.339 20 30 FIEDMN CC[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1F ZINC000593065391 1115280134 /nfs/dbraw/zinc/28/01/34/1115280134.db2.gz WBSQLEXDZPWXDE-UZLBHIALSA-N 0 1 353.441 4.202 20 30 FIEDMN N#Cc1cnn2cc(C[N@H+]3CCCCC[C@H]3/C=C\c3cccs3)cnc12 ZINC000592507719 1115334546 /nfs/dbraw/zinc/33/45/46/1115334546.db2.gz YSHNUAORTRBPTJ-ZEVQVBBLSA-N 0 1 363.490 4.120 20 30 FIEDMN N#Cc1cnn2cc(CN3CCCCC[C@H]3/C=C\c3cccs3)cnc12 ZINC000592507719 1115334547 /nfs/dbraw/zinc/33/45/47/1115334547.db2.gz YSHNUAORTRBPTJ-ZEVQVBBLSA-N 0 1 363.490 4.120 20 30 FIEDMN COc1cc(CNC2(c3cccc(OC(F)(F)F)c3)CC2)ccc1C#N ZINC000594517269 1115458857 /nfs/dbraw/zinc/45/88/57/1115458857.db2.gz ACOIQGABIJDZCJ-UHFFFAOYSA-N 0 1 362.351 4.244 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3cccc(C(F)F)c3C#N)CC2)c1 ZINC000594586994 1115468052 /nfs/dbraw/zinc/46/80/52/1115468052.db2.gz PVZFXPYVXBBFHQ-UHFFFAOYSA-N 0 1 366.415 4.444 20 30 FIEDMN N#CC1(c2ccc(CNCc3cc(Br)ccc3F)cc2)CC1 ZINC000594914010 1115489129 /nfs/dbraw/zinc/48/91/29/1115489129.db2.gz BAHKZVOBYHHJJV-UHFFFAOYSA-N 0 1 359.242 4.433 20 30 FIEDMN N#CC1(c2ccc(CNC3(c4ccc(F)cc4F)CCOCC3)cc2)CC1 ZINC000594940020 1115500847 /nfs/dbraw/zinc/50/08/47/1115500847.db2.gz XNQITLUQACWYDK-UHFFFAOYSA-N 0 1 368.427 4.315 20 30 FIEDMN COc1ccc(Cl)c(CNC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595767490 1115559154 /nfs/dbraw/zinc/55/91/54/1115559154.db2.gz CAPSNZGGOLNRBQ-UHFFFAOYSA-N 0 1 356.853 4.016 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c(Br)c1 ZINC000595789319 1115563194 /nfs/dbraw/zinc/56/31/94/1115563194.db2.gz QUMIQXFSWYZSLM-SJLPKXTDSA-N 0 1 363.299 4.102 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000595845652 1115563746 /nfs/dbraw/zinc/56/37/46/1115563746.db2.gz SAVXSDPZFJLWHG-CALCHBBNSA-N 0 1 352.434 4.201 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](C2CCC2)C1 ZINC000595837703 1115563837 /nfs/dbraw/zinc/56/38/37/1115563837.db2.gz RQSXXLLQUULAMD-SJLPKXTDSA-N 0 1 371.550 4.389 20 30 FIEDMN C[C@H]1C[C@@H](N(C)c2nc(C#N)c(Cl)s2)CC[N@H+]1Cc1ccccc1 ZINC000596135118 1115575198 /nfs/dbraw/zinc/57/51/98/1115575198.db2.gz RTZBIWCNIOGZOS-ZFWWWQNUSA-N 0 1 360.914 4.157 20 30 FIEDMN Cc1c(Br)cncc1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000596979036 1115630772 /nfs/dbraw/zinc/63/07/72/1115630772.db2.gz FTVAIEPVABOZRK-UHFFFAOYSA-N 0 1 356.267 4.189 20 30 FIEDMN CC(C)OC(=O)C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000597133976 1115642853 /nfs/dbraw/zinc/64/28/53/1115642853.db2.gz YWNFWMGSVGLVRL-NRFANRHFSA-N 0 1 362.473 4.414 20 30 FIEDMN N#CC[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000597174581 1115646957 /nfs/dbraw/zinc/64/69/57/1115646957.db2.gz RIJIRPBVQQUGFP-GOSISDBHSA-N 0 1 357.461 4.060 20 30 FIEDMN COc1ccc2c(c1)CCN(Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000597211966 1115648352 /nfs/dbraw/zinc/64/83/52/1115648352.db2.gz PPCXYHJSAJMWPT-UHFFFAOYSA-N 0 1 372.472 4.031 20 30 FIEDMN CCCCCc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n[nH]1 ZINC000597323484 1115659124 /nfs/dbraw/zinc/65/91/24/1115659124.db2.gz ZPTNBZWRYXOEKT-AZUAARDMSA-N 0 1 350.466 4.054 20 30 FIEDMN CC[C@H](C)CCCCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593351715 1115664627 /nfs/dbraw/zinc/66/46/27/1115664627.db2.gz RNAZXXOMNFZHHU-SFHVURJKSA-N 0 1 355.526 4.245 20 30 FIEDMN N#Cc1cccc(CN2CCC(NC(=O)c3ccc(C4CCC4)cc3)CC2)c1 ZINC000593351174 1115664658 /nfs/dbraw/zinc/66/46/58/1115664658.db2.gz JOFIFEBLSROANS-UHFFFAOYSA-N 0 1 373.500 4.220 20 30 FIEDMN CC(C)c1cccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 ZINC000597477308 1115667817 /nfs/dbraw/zinc/66/78/17/1115667817.db2.gz RGLYHYWDDASEJG-UHFFFAOYSA-N 0 1 361.489 4.098 20 30 FIEDMN COc1ccc(-c2nc(C)c([C@@H](C)NCc3cccc(C#N)n3)s2)cc1 ZINC000602545571 1115709982 /nfs/dbraw/zinc/70/99/82/1115709982.db2.gz FYSKFPJLBMDUKV-CYBMUJFWSA-N 0 1 364.474 4.245 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3cc(C(F)(F)F)ccn3)CC2)c1 ZINC000593515957 1115710714 /nfs/dbraw/zinc/71/07/14/1115710714.db2.gz UMRATDHEUYDAAJ-UHFFFAOYSA-N 0 1 360.383 4.049 20 30 FIEDMN COCC[C@@H](NCc1cccc(C#N)n1)c1ccc(Cl)c(Cl)c1 ZINC000602656820 1115717706 /nfs/dbraw/zinc/71/77/06/1115717706.db2.gz YNKWIYUNBYIMDR-QGZVFWFLSA-N 0 1 350.249 4.127 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@H]2NCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000602698063 1115718960 /nfs/dbraw/zinc/71/89/60/1115718960.db2.gz XGBSRLSACUFARQ-MRXNPFEDSA-N 0 1 374.410 4.277 20 30 FIEDMN CC(C)(C)OC(=O)[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)c2ccccc21 ZINC000593684957 1115792493 /nfs/dbraw/zinc/79/24/93/1115792493.db2.gz ANYOSTOFYBMKDL-QUCCMNQESA-N 0 1 366.436 4.357 20 30 FIEDMN C[C@H](c1ccc(Cl)cc1Cl)N(C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599259908 1115803497 /nfs/dbraw/zinc/80/34/97/1115803497.db2.gz RKBABVJICCZAOO-UKRRQHHQSA-N 0 1 371.308 4.058 20 30 FIEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603890247 1115826615 /nfs/dbraw/zinc/82/66/15/1115826615.db2.gz VZVBYDKBULWQEE-APWZRJJASA-N 0 1 372.472 4.246 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CNCc2ccc(Oc3ccccc3)nc2)cc1 ZINC000171563572 1115871466 /nfs/dbraw/zinc/87/14/66/1115871466.db2.gz NAAQBNGBPARMBN-QGZVFWFLSA-N 0 1 359.429 4.455 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3csc(-c4ccccc4)n3)[nH]c21 ZINC000605363244 1115891202 /nfs/dbraw/zinc/89/12/02/1115891202.db2.gz QKBUUZHLOXKDHK-CQSZACIVSA-N 0 1 358.426 4.485 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(C(F)(F)F)nc3C)[nH]c21 ZINC000605363310 1115891285 /nfs/dbraw/zinc/89/12/85/1115891285.db2.gz UBILGWCAFWRSMQ-LBPRGKRZSA-N 0 1 358.323 4.084 20 30 FIEDMN N#Cc1ccc(C2(NCc3cccc(C(=O)N4CCCCC4)c3)CCC2)cc1 ZINC000594032524 1115967479 /nfs/dbraw/zinc/96/74/79/1115967479.db2.gz VZODNPSWXOXMSZ-UHFFFAOYSA-N 0 1 373.500 4.353 20 30 FIEDMN N#Cc1ccc(C2(NCc3cc4c(cc3Cl)OCCO4)CCC2)cc1 ZINC000594034482 1115970315 /nfs/dbraw/zinc/97/03/15/1115970315.db2.gz BLWJDRTTZBIQBW-UHFFFAOYSA-N 0 1 354.837 4.152 20 30 FIEDMN CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000615224888 1115970709 /nfs/dbraw/zinc/97/07/09/1115970709.db2.gz NDEBZQQUNFXRLT-OAQYLSRUSA-N 0 1 373.928 4.215 20 30 FIEDMN COc1ccc(CNCc2ccc(Oc3ccc(F)cc3)nc2)cc1C#N ZINC000174277476 1116128807 /nfs/dbraw/zinc/12/88/07/1116128807.db2.gz DIXOPKYINBZWAL-UHFFFAOYSA-N 0 1 363.392 4.183 20 30 FIEDMN N#CCCCCN1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000608832229 1116130790 /nfs/dbraw/zinc/13/07/90/1116130790.db2.gz DHLKDRSEAOAZKU-UHFFFAOYSA-N 0 1 357.498 4.366 20 30 FIEDMN C=CCC[C@@H](NC(=O)NCc1ccc(CN(C)C)c(F)c1)c1ccccc1 ZINC000534942835 1116254829 /nfs/dbraw/zinc/25/48/29/1116254829.db2.gz PCSSEIYNDRRHDA-OAQYLSRUSA-N 0 1 369.484 4.394 20 30 FIEDMN CC(C)(C#N)CCN1CCC[C@H]1c1ccccc1I ZINC000539587414 1116349467 /nfs/dbraw/zinc/34/94/67/1116349467.db2.gz CZVKVKBBYPHDPT-HNNXBMFYSA-N 0 1 368.262 4.368 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(Br)c3ccccc23)cc1O ZINC000443115427 1116354198 /nfs/dbraw/zinc/35/41/98/1116354198.db2.gz ZSLYIJOQLXOKFE-UHFFFAOYSA-N 0 1 367.202 4.432 20 30 FIEDMN C[C@@H](c1ccsc1)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000462467149 1116357382 /nfs/dbraw/zinc/35/73/82/1116357382.db2.gz RXXZGXCHLOVRQU-KRWDZBQOSA-N 0 1 353.535 4.428 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccc4c(c3)ncn4C)n2)cc1 ZINC000539680504 1116365522 /nfs/dbraw/zinc/36/55/22/1116365522.db2.gz TVGMSBKBXIKBFN-MRXNPFEDSA-N 0 1 372.453 4.495 20 30 FIEDMN N#Cc1cccc(COc2cccc(CN3CCOC4(CCCC4)C3)c2)c1 ZINC000539820713 1116385159 /nfs/dbraw/zinc/38/51/59/1116385159.db2.gz HOXSWUKDQAPQOT-UHFFFAOYSA-N 0 1 362.473 4.282 20 30 FIEDMN C=CCOc1ccc(CN(C)[C@H](CO)c2ccc(OC)cc2)cc1Cl ZINC000539827461 1116387092 /nfs/dbraw/zinc/38/70/92/1116387092.db2.gz BTLKSRIOZAOVNW-LJQANCHMSA-N 0 1 361.869 4.079 20 30 FIEDMN C=CCOc1ccc(CN(C)[C@@H](CO)c2ccc(OC)cc2)cc1Cl ZINC000539827460 1116387316 /nfs/dbraw/zinc/38/73/16/1116387316.db2.gz BTLKSRIOZAOVNW-IBGZPJMESA-N 0 1 361.869 4.079 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)CCCc2ccc(Br)s2)n1 ZINC000122327056 1117782247 /nfs/dbraw/zinc/78/22/47/1117782247.db2.gz BIOHEYOGVHFEHX-NSHDSACASA-N 0 1 369.309 4.475 20 30 FIEDMN COc1ccc([C@@H](CNc2c(Cl)cccc2C#N)N2CCCC2)cc1 ZINC000462925335 1117862597 /nfs/dbraw/zinc/86/25/97/1117862597.db2.gz MFXDFIQGJNEMBE-LJQANCHMSA-N 0 1 355.869 4.469 20 30 FIEDMN Cc1c2ccccc2oc1[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(C)C ZINC000540359830 1118013364 /nfs/dbraw/zinc/01/33/64/1118013364.db2.gz VPWLHRUTDCZGQW-CTNGQTDRSA-N 0 1 355.482 4.082 20 30 FIEDMN C[C@@H](NCC#Cc1ccccc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000540408419 1118038002 /nfs/dbraw/zinc/03/80/02/1118038002.db2.gz BHCBTUPFXNKNFC-MRXNPFEDSA-N 0 1 352.865 4.169 20 30 FIEDMN C#CCC1(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)CCCCC1 ZINC001127244631 1118059037 /nfs/dbraw/zinc/05/90/37/1118059037.db2.gz FWFNFTGOHUDMEJ-UXHICEINSA-N 0 1 352.522 4.082 20 30 FIEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000443460869 1118377492 /nfs/dbraw/zinc/37/74/92/1118377492.db2.gz MBHKNTVBXMURDV-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN Cc1ccnc2ccc(C(=O)C(C#N)c3cc(C(F)(F)F)ccn3)cc12 ZINC000464425794 1118560641 /nfs/dbraw/zinc/56/06/41/1118560641.db2.gz KQPZAFCSLUVSIL-HNNXBMFYSA-N 0 1 355.319 4.447 20 30 FIEDMN CCC(CC)n1nc(C)cc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464463791 1118570832 /nfs/dbraw/zinc/57/08/32/1118570832.db2.gz GESGCUYKESVLJP-CQSZACIVSA-N 0 1 364.371 4.457 20 30 FIEDMN C=CCOc1ccc(CNCc2cnc(-c3ccccc3OC)nc2)cc1 ZINC000491402745 1118945241 /nfs/dbraw/zinc/94/52/41/1118945241.db2.gz VJCMVUVPZJIJCN-UHFFFAOYSA-N 0 1 361.445 4.007 20 30 FIEDMN CCN(CCNc1cc(C#N)ccc1C(F)(F)F)CCC(F)(F)F ZINC000491600476 1118967496 /nfs/dbraw/zinc/96/74/96/1118967496.db2.gz CKQRWVMJZFAFFT-UHFFFAOYSA-N 0 1 353.310 4.263 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)CCCCc2nc3ccccc3s2)c1 ZINC000176391998 1118990652 /nfs/dbraw/zinc/99/06/52/1118990652.db2.gz SIPYONQQWBBWJH-UHFFFAOYSA-N 0 1 351.431 4.225 20 30 FIEDMN CCOc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000492651151 1119156413 /nfs/dbraw/zinc/15/64/13/1119156413.db2.gz JXACMKRVTCVGRM-UHFFFAOYSA-N 0 1 353.422 4.276 20 30 FIEDMN COc1ccc(Oc2cc(CNCc3ccc(C#N)c(C)c3)ccn2)cc1 ZINC000443980341 1119159125 /nfs/dbraw/zinc/15/91/25/1119159125.db2.gz QRZATBIMZZDMFI-UHFFFAOYSA-N 0 1 359.429 4.352 20 30 FIEDMN C=CCN(Cc1ccccc1F)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175745084 1119227330 /nfs/dbraw/zinc/22/73/30/1119227330.db2.gz JJHCJLZBBVJJQB-UHFFFAOYSA-N 0 1 351.425 4.158 20 30 FIEDMN C=C(C)C[C@H](C)C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000185031751 1119636801 /nfs/dbraw/zinc/63/68/01/1119636801.db2.gz SJSJYQIJMNBIFM-INIZCTEOSA-N 0 1 368.443 4.342 20 30 FIEDMN C=C(C)C[C@@H](C)C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000185591339 1119674766 /nfs/dbraw/zinc/67/47/66/1119674766.db2.gz VUJXVBDVKUUBNW-QGZVFWFLSA-N 0 1 357.498 4.042 20 30 FIEDMN C[C@@H](CN(C)Cc1cc(C#N)ccc1Br)c1nccs1 ZINC000191824293 1119997211 /nfs/dbraw/zinc/99/72/11/1119997211.db2.gz QOPOQRABHGATBA-NSHDSACASA-N 0 1 350.285 4.013 20 30 FIEDMN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(Br)n2)c1 ZINC000925416951 1120448170 /nfs/dbraw/zinc/44/81/70/1120448170.db2.gz YKLTZMYYTNTAMO-DZGCQCFKSA-N 0 1 374.282 4.376 20 30 FIEDMN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(Br)n2)c1 ZINC000925416954 1120448281 /nfs/dbraw/zinc/44/82/81/1120448281.db2.gz YKLTZMYYTNTAMO-HIFRSBDPSA-N 0 1 374.282 4.376 20 30 FIEDMN FC(F)(F)c1nc2ccccc2c(NN=Cc2cnc(C3CC3)s2)n1 ZINC000761803607 1120449995 /nfs/dbraw/zinc/44/99/95/1120449995.db2.gz CWDZIUYFVBZIOH-UHFFFAOYSA-N 0 1 363.368 4.429 20 30 FIEDMN CN(C)C(=O)c1cccc(C/N=C\c2cc(Cl)cc(Cl)c2O)c1 ZINC000914703493 1120479780 /nfs/dbraw/zinc/47/97/80/1120479780.db2.gz SBKMZLVAAGSTCU-JMIUGGIZSA-N 0 1 351.233 4.020 20 30 FIEDMN Fc1ccc(C2OCCO2)c(Cl)c1CN=Nc1c(F)cccc1F ZINC000761815093 1120492298 /nfs/dbraw/zinc/49/22/98/1120492298.db2.gz FVOISWXLODLLGD-UHFFFAOYSA-N 0 1 356.731 4.249 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@]3(CC=CCC3)C2)c1C ZINC000303635523 1120780000 /nfs/dbraw/zinc/78/00/00/1120780000.db2.gz ZOZXXMRENWYIBN-QHCPKHFHSA-N 0 1 365.521 4.372 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccc4[nH]cnc4c3)n2)cc1 ZINC000915102106 1120811743 /nfs/dbraw/zinc/81/17/43/1120811743.db2.gz RQASGSUNSPBQEF-OAHLLOKOSA-N 0 1 358.426 4.485 20 30 FIEDMN COc1cccc(O)c1/C=N\C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000915113313 1120820669 /nfs/dbraw/zinc/82/06/69/1120820669.db2.gz UNJSONBUIDJWOJ-FPJJECCMSA-N 0 1 358.869 4.310 20 30 FIEDMN Cc1cc(O)c(CN2CCN(c3cccc(F)c3C#N)CC2)cc1C(C)C ZINC000915203911 1120868271 /nfs/dbraw/zinc/86/82/71/1120868271.db2.gz DDKDTTZAEFAPFK-UHFFFAOYSA-N 0 1 367.468 4.157 20 30 FIEDMN CC(=Cc1ccc(-c2ccccc2Cl)o1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193612103 1120982313 /nfs/dbraw/zinc/98/23/13/1120982313.db2.gz HHSOSRZDPMEUSG-PKNBQFBNSA-N 0 1 351.793 4.424 20 30 FIEDMN C[C@H](NC[C@@H](O)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000326370981 1121307045 /nfs/dbraw/zinc/30/70/45/1121307045.db2.gz JPPSFFKCCDOWJA-QUBYGPBYSA-N 0 1 369.227 4.298 20 30 FIEDMN O=[N+]([O-])c1cc(Cl)ccc1N=NCc1csc(-c2ccccn2)n1 ZINC000915976140 1121359280 /nfs/dbraw/zinc/35/92/80/1121359280.db2.gz PRGIRTJXGHWHGZ-UHFFFAOYSA-N 0 1 359.798 4.213 20 30 FIEDMN O=[N+]([O-])c1cc(Cl)ccc1NN=Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000915975073 1121359828 /nfs/dbraw/zinc/35/98/28/1121359828.db2.gz CVEIQUVBYMGEIX-UHFFFAOYSA-N 0 1 359.748 4.223 20 30 FIEDMN CC(C)c1ccc(/C=C\C(=O)c2ccc(O)c(CN3CCOCC3)c2)cc1 ZINC000916129949 1121419008 /nfs/dbraw/zinc/41/90/08/1121419008.db2.gz CTABRMJXPZZXPS-UITAMQMPSA-N 0 1 365.473 4.244 20 30 FIEDMN COc1ccc(Br)cc1CN=Nc1ccc2ccccc2n1 ZINC000916286679 1121464277 /nfs/dbraw/zinc/46/42/77/1121464277.db2.gz NZCIEPFOGWDTOG-UHFFFAOYSA-N 0 1 356.223 4.452 20 30 FIEDMN Cc1nc2sc3c(c2c(N=NCc2ccccc2[N+](=O)[O-])n1)CCCC3 ZINC000916312346 1121471222 /nfs/dbraw/zinc/47/12/22/1121471222.db2.gz UDTUBJSXCLOOHX-UHFFFAOYSA-N 0 1 367.434 4.233 20 30 FIEDMN CC(C)C[C@H]1CCCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000108362280 1121533745 /nfs/dbraw/zinc/53/37/45/1121533745.db2.gz YBGXHNMIIXQTEH-DLBZAZTESA-N 0 1 359.539 4.387 20 30 FIEDMN CCCCCCNC(=O)C(C#N)C(=O)CSc1ccc2ccccc2c1 ZINC000916875997 1121906691 /nfs/dbraw/zinc/90/66/91/1121906691.db2.gz NEERVOGVGIUGOA-LJQANCHMSA-N 0 1 368.502 4.337 20 30 FIEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000916884099 1121908929 /nfs/dbraw/zinc/90/89/29/1121908929.db2.gz SBKWEMQCLQVKHY-GYSYKLTISA-N 0 1 372.774 4.356 20 30 FIEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000916913613 1121933020 /nfs/dbraw/zinc/93/30/20/1121933020.db2.gz XWIKVWWFBOZZDU-UTUOFQBUSA-N 0 1 372.774 4.356 20 30 FIEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000916913611 1121933542 /nfs/dbraw/zinc/93/35/42/1121933542.db2.gz XWIKVWWFBOZZDU-SRVKXCTJSA-N 0 1 372.774 4.356 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(C)=O)s2)cc1 ZINC000916956373 1121968553 /nfs/dbraw/zinc/96/85/53/1121968553.db2.gz ZUZKTFONRZXNIT-LRDDRELGSA-N 0 1 368.458 4.425 20 30 FIEDMN N#CC(C(=O)C1=Cc2ccccc2OC1)c1nc2ccccc2n1C(F)F ZINC000917039859 1122011882 /nfs/dbraw/zinc/01/18/82/1122011882.db2.gz FXBGGIVKHHRVGT-CQSZACIVSA-N 0 1 365.339 4.084 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cccc(C#N)c3)n2)cc1 ZINC000066543842 1122072063 /nfs/dbraw/zinc/07/20/63/1122072063.db2.gz SFOKWSDMUJVZDL-KRWDZBQOSA-N 0 1 359.410 4.180 20 30 FIEDMN COCc1cccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544729 1122072584 /nfs/dbraw/zinc/07/25/84/1122072584.db2.gz RTOJSIAJMHPIOW-GOSISDBHSA-N 0 1 373.437 4.318 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc3c[nH]nc32)cc1 ZINC000131569275 1122083148 /nfs/dbraw/zinc/08/31/48/1122083148.db2.gz USQKGQPFXHIBIV-ACJLOTCBSA-N 0 1 360.417 4.038 20 30 FIEDMN Fc1ccc(C=NNc2nc(C(F)(F)F)nc3ccccc32)c(F)c1 ZINC000917215207 1122234183 /nfs/dbraw/zinc/23/41/83/1122234183.db2.gz KYRFQMKOXXLMFF-UHFFFAOYSA-N 0 1 352.266 4.373 20 30 FIEDMN CC(C)Oc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000056170577 1122297457 /nfs/dbraw/zinc/29/74/57/1122297457.db2.gz LXGBJILNJHYWEV-JKSUJKDBSA-N 0 1 351.450 4.023 20 30 FIEDMN C=C(C)COc1cc(CNCc2cccc3c2OCCCO3)ccc1OC ZINC000128482864 1122313283 /nfs/dbraw/zinc/31/32/83/1122313283.db2.gz SZHHLKOINHQJMW-UHFFFAOYSA-N 0 1 369.461 4.101 20 30 FIEDMN CCN(CC(=O)N[C@@H](c1ccccc1)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000497617758 1122318451 /nfs/dbraw/zinc/31/84/51/1122318451.db2.gz AVLDLUSMYVSBDS-HXOBKFHXSA-N 0 1 361.489 4.209 20 30 FIEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1ccccc1-c1ccccc1 ZINC000917540911 1122347335 /nfs/dbraw/zinc/34/73/35/1122347335.db2.gz GUDYVFCKBYZCBN-UHFFFAOYSA-N 0 1 357.438 4.234 20 30 FIEDMN O=c1[nH]c2ccccc2cc1C=NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000917557068 1122360920 /nfs/dbraw/zinc/36/09/20/1122360920.db2.gz VWOMHMITQRWDDG-ZVHZXABRSA-N 0 1 363.436 4.163 20 30 FIEDMN N#CC(C(=O)c1cccc(OC(F)F)c1)c1nc(-c2ccncc2)cs1 ZINC000128817207 1122421101 /nfs/dbraw/zinc/42/11/01/1122421101.db2.gz UUAFOKAJPIDCII-AWEZNQCLSA-N 0 1 371.368 4.297 20 30 FIEDMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1 ZINC000498020902 1122529252 /nfs/dbraw/zinc/52/92/52/1122529252.db2.gz WEXBKUJPGJUJHQ-UHFFFAOYSA-N 0 1 364.854 4.108 20 30 FIEDMN N#Cc1ccc(N2CCN(Cc3ccc4oc5ccccc5c4c3)CC2)nc1 ZINC000918738629 1122768223 /nfs/dbraw/zinc/76/82/23/1122768223.db2.gz FBULCISMCWXUCX-UHFFFAOYSA-N 0 1 368.440 4.175 20 30 FIEDMN N#Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1F ZINC000556443193 1122897102 /nfs/dbraw/zinc/89/71/02/1122897102.db2.gz FXGLHTCGVMSHJK-QGZVFWFLSA-N 0 1 368.799 4.204 20 30 FIEDMN COc1ccc(C[C@H](NC[C@@H](C#N)CCC#N)c2ccc(OC)cc2)cc1 ZINC000556706409 1123048284 /nfs/dbraw/zinc/04/82/84/1123048284.db2.gz UYHYCOXEQIXDQM-GCJKJVERSA-N 0 1 363.461 4.021 20 30 FIEDMN CC(C)C[C@H]1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000072492088 1123069444 /nfs/dbraw/zinc/06/94/44/1123069444.db2.gz PNEKBQGSAHTSAZ-DLBZAZTESA-N 0 1 359.539 4.245 20 30 FIEDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000920174974 1123403971 /nfs/dbraw/zinc/40/39/71/1123403971.db2.gz RUHVBSXOUBWTMX-MBHQQJFWSA-N 0 1 373.840 4.208 20 30 FIEDMN CC(C)(C)c1ncc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000920323181 1123443804 /nfs/dbraw/zinc/44/38/04/1123443804.db2.gz FSHHDLOTPDRKSY-SNVBAGLBSA-N 0 1 361.854 4.055 20 30 FIEDMN CC(C)(C)c1ncc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000920323181 1123443807 /nfs/dbraw/zinc/44/38/07/1123443807.db2.gz FSHHDLOTPDRKSY-SNVBAGLBSA-N 0 1 361.854 4.055 20 30 FIEDMN CC(=NN[C@@H](C)c1ccccc1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000920383770 1123449855 /nfs/dbraw/zinc/44/98/55/1123449855.db2.gz YHMMRJSCKBQOSW-KRWDZBQOSA-N 0 1 351.494 4.453 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCC[C@H]2C)cc1Cl ZINC000920792384 1123520194 /nfs/dbraw/zinc/52/01/94/1123520194.db2.gz PQTINXOYCWPJML-UMVBOHGHSA-N 0 1 362.857 4.212 20 30 FIEDMN CCS[C@H]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000076068596 1123560785 /nfs/dbraw/zinc/56/07/85/1123560785.db2.gz SOPWKFBBLLAIHX-MOPGFXCFSA-N 0 1 373.566 4.156 20 30 FIEDMN Cc1ccc(-c2n[nH]c(NC(=O)CSCc3ccc(C#N)cc3)n2)cc1 ZINC000076383423 1123592241 /nfs/dbraw/zinc/59/22/41/1123592241.db2.gz WCQFKSWMOCVECU-UHFFFAOYSA-N 0 1 363.446 4.173 20 30 FIEDMN Cc1csc(C(C#N)=C([O-])c2ccc(NC(=O)CC(C)C)c(F)c2)n1 ZINC000076763406 1123628214 /nfs/dbraw/zinc/62/82/14/1123628214.db2.gz WZUGQOSOVPKMAW-CYBMUJFWSA-N 0 1 359.426 4.065 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)n1 ZINC000076763406 1123628218 /nfs/dbraw/zinc/62/82/18/1123628218.db2.gz WZUGQOSOVPKMAW-CYBMUJFWSA-N 0 1 359.426 4.065 20 30 FIEDMN CSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000064374858 1123721525 /nfs/dbraw/zinc/72/15/25/1123721525.db2.gz RUCKWQOFFSPPET-UHFFFAOYSA-N 0 1 373.286 4.388 20 30 FIEDMN N#CC(C(=O)Nc1nc2ccccc2s1)c1nc2cc(F)ccc2s1 ZINC000609627419 1123773401 /nfs/dbraw/zinc/77/34/01/1123773401.db2.gz PBUTZDJZTIRDIE-SNVBAGLBSA-N 0 1 368.418 4.291 20 30 FIEDMN COc1cccc(Cl)c1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000609826106 1123850361 /nfs/dbraw/zinc/85/03/61/1123850361.db2.gz RXDNOGPJLRDYEK-HNNXBMFYSA-N 0 1 373.859 4.118 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CNCc2ccccc2OC(F)(F)F)cc1 ZINC000237579215 1123989128 /nfs/dbraw/zinc/98/91/28/1123989128.db2.gz PPIXZNBKCIYMQK-CYBMUJFWSA-N 0 1 350.340 4.166 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccccc2OCC(F)(F)F)cc1 ZINC000237703095 1124023408 /nfs/dbraw/zinc/02/34/08/1124023408.db2.gz FYEANYZPFVYPNT-AWEZNQCLSA-N 0 1 364.367 4.208 20 30 FIEDMN CC(C)C[C@@H]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000245495467 1124055965 /nfs/dbraw/zinc/05/59/65/1124055965.db2.gz PNEKBQGSAHTSAZ-SJORKVTESA-N 0 1 359.539 4.245 20 30 FIEDMN C[C@@H]1CN(Cc2ccc(CNc3c(F)cc(C#N)cc3F)cc2)C[C@H](C)O1 ZINC000301107149 1124193019 /nfs/dbraw/zinc/19/30/19/1124193019.db2.gz QAMXRKNGYFJPSY-GASCZTMLSA-N 0 1 371.431 4.058 20 30 FIEDMN CN(Cc1cccc(C#N)c1)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000542769888 1124245532 /nfs/dbraw/zinc/24/55/32/1124245532.db2.gz ZSFHGPZOOBYLFU-UHFFFAOYSA-N 0 1 372.453 4.435 20 30 FIEDMN C[C@H](N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(C#N)c1 ZINC000542776543 1124254453 /nfs/dbraw/zinc/25/44/53/1124254453.db2.gz LZSIABFZWIODDH-SGTLLEGYSA-N 0 1 374.271 4.321 20 30 FIEDMN N#Cc1cc2c(nc1NC1CCN(Cc3ccc(F)cc3)CC1)CCCC2 ZINC000301887684 1124267837 /nfs/dbraw/zinc/26/78/37/1124267837.db2.gz MWBKMMTXTFBPBD-UHFFFAOYSA-N 0 1 364.468 4.048 20 30 FIEDMN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(Br)cc2C#N)C1 ZINC000554238996 1124310353 /nfs/dbraw/zinc/31/03/53/1124310353.db2.gz ZCZSYUFRXZYIFP-HZPDHXFCSA-N 0 1 353.329 4.427 20 30 FIEDMN Cc1ccc(NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)nc1C#N ZINC000302676384 1124336872 /nfs/dbraw/zinc/33/68/72/1124336872.db2.gz UPOZHIFCDJTXFI-IFXJQAMLSA-N 0 1 358.848 4.159 20 30 FIEDMN CCN(CC(=O)N[C@@H]1CCCc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000108718678 1124381322 /nfs/dbraw/zinc/38/13/22/1124381322.db2.gz OUNWEGLKCFIICL-HTAPYJJXSA-N 0 1 361.489 4.135 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H]1c1cccs1 ZINC000249345123 1124854838 /nfs/dbraw/zinc/85/48/38/1124854838.db2.gz UAWPZZHKWDGFQB-YJBOKZPZSA-N 0 1 371.481 4.359 20 30 FIEDMN N#Cc1ccc(-c2nnc(CN(Cc3ccccc3)CC3CCC3)o2)cc1 ZINC000075647719 1124912402 /nfs/dbraw/zinc/91/24/02/1124912402.db2.gz TZMHFZUGZLQWQO-UHFFFAOYSA-N 0 1 358.445 4.411 20 30 FIEDMN CC(C)N(C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000076222351 1124971170 /nfs/dbraw/zinc/97/11/70/1124971170.db2.gz ZPRWJOCPMMGMGH-UHFFFAOYSA-N 0 1 371.868 4.069 20 30 FIEDMN N#CC(C(=O)c1ccc2c(c1)OCO2)c1nc2cc(Cl)ccc2s1 ZINC000076606525 1125006433 /nfs/dbraw/zinc/00/64/33/1125006433.db2.gz BILUCYXHQISOOH-LLVKDONJSA-N 0 1 356.790 4.168 20 30 FIEDMN COc1ccc(Br)cc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618741161 1125258473 /nfs/dbraw/zinc/25/84/73/1125258473.db2.gz CVTDWIPTPXRNLC-KRWDZBQOSA-N 0 1 357.251 4.106 20 30 FIEDMN CC(=O)N(c1nc(CNCC2CCC(C#N)CC2)cs1)c1ccccc1 ZINC000602658306 568006711 /nfs/dbraw/zinc/00/67/11/568006711.db2.gz UFWAQJXHGJYOKZ-UHFFFAOYSA-N 0 1 368.506 4.247 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cnn1C(C)(C)C ZINC000051656162 568139828 /nfs/dbraw/zinc/13/98/28/568139828.db2.gz XGQGJMYBJBGIFY-LBPRGKRZSA-N 0 1 371.391 4.181 20 30 FIEDMN N#CCCCN1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000603846097 568157397 /nfs/dbraw/zinc/15/73/97/568157397.db2.gz OGXRISGRYKKHDB-UHFFFAOYSA-N 0 1 359.926 4.490 20 30 FIEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000603853524 568167232 /nfs/dbraw/zinc/16/72/32/568167232.db2.gz BGQJMMYRTJPLAF-SIKLNZKXSA-N 0 1 355.526 4.175 20 30 FIEDMN N#CCCN(C(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000604561003 568311499 /nfs/dbraw/zinc/31/14/99/568311499.db2.gz LNWLEADBNCRPPU-QFIPXVFZSA-N 0 1 361.489 4.030 20 30 FIEDMN N#CCCN(C(=O)CN1CCCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000604561003 568311500 /nfs/dbraw/zinc/31/15/00/568311500.db2.gz LNWLEADBNCRPPU-QFIPXVFZSA-N 0 1 361.489 4.030 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(C#N)c(F)c3)[nH]c2c1 ZINC000569513688 568404303 /nfs/dbraw/zinc/40/43/03/568404303.db2.gz NMNLDRWTTDCEKF-GOSISDBHSA-N 0 1 363.396 4.251 20 30 FIEDMN N#Cc1ccc(CN2CC[C@@H](n3ncc4ccccc43)C2)c(C(F)(F)F)c1 ZINC000569895779 568434639 /nfs/dbraw/zinc/43/46/39/568434639.db2.gz SPUHRFLJGRLUNY-QGZVFWFLSA-N 0 1 370.378 4.374 20 30 FIEDMN Cc1c([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cnn1C ZINC000078448875 1125530898 /nfs/dbraw/zinc/53/08/98/1125530898.db2.gz FXHUHRDKHPLQFY-INIZCTEOSA-N 0 1 360.461 4.030 20 30 FIEDMN N#C[C@H](NC(=O)c1cc(F)cc2nc[nH]c21)c1cccc(Cl)c1Cl ZINC000066394619 1125563380 /nfs/dbraw/zinc/56/33/80/1125563380.db2.gz LXXCSKAMFVJYEF-ZDUSSCGKSA-N 0 1 363.179 4.003 20 30 FIEDMN N#CCc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000619569637 1125618106 /nfs/dbraw/zinc/61/81/06/1125618106.db2.gz HGQWEPAUFCTZCS-UHFFFAOYSA-N 0 1 374.771 4.226 20 30 FIEDMN N#CC1(c2ccc(C(=O)Nc3ccccc3Nc3ccncc3)cc2)CC1 ZINC000619581428 1125623887 /nfs/dbraw/zinc/62/38/87/1125623887.db2.gz DOIKBJPTPOOTBF-UHFFFAOYSA-N 0 1 354.413 4.055 20 30 FIEDMN N#Cc1cc(CN2CCC(c3cccc(Br)c3)CC2)ccn1 ZINC000619624264 1125636718 /nfs/dbraw/zinc/63/67/18/1125636718.db2.gz IPLRWRZAFVLULU-UHFFFAOYSA-N 0 1 356.267 4.095 20 30 FIEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc1NC(C)=O ZINC000619755741 1125681824 /nfs/dbraw/zinc/68/18/24/1125681824.db2.gz QZWIYKQBLPBCHL-GFCCVEGCSA-N 0 1 357.841 4.029 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748720 1125690376 /nfs/dbraw/zinc/69/03/76/1125690376.db2.gz MIYAOKAQQPVXRI-UHFFFAOYSA-N 0 1 350.853 4.304 20 30 FIEDMN C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000183130347 1125754733 /nfs/dbraw/zinc/75/47/33/1125754733.db2.gz NTPJODBGUYLRJQ-CQSZACIVSA-N 0 1 358.463 4.076 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c(Cl)cc1F ZINC000471106587 1079572643 /nfs/dbraw/zinc/57/26/43/1079572643.db2.gz ATCPKOZWQQTKCO-UHFFFAOYSA-N 0 1 359.209 4.113 20 30 FIEDMN C[C@H]1CN(c2cccc(F)c2)CCN1Cc1cccc(OCCCC#N)c1 ZINC000430145927 1079619572 /nfs/dbraw/zinc/61/95/72/1079619572.db2.gz KJTSQLHVJFIIJL-SFHVURJKSA-N 0 1 367.468 4.219 20 30 FIEDMN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(-c4ccccc4F)o3)C2)nc1 ZINC000430188539 1079776883 /nfs/dbraw/zinc/77/68/83/1079776883.db2.gz UKBYBZXGIHYXHK-KRWDZBQOSA-N 0 1 363.392 4.006 20 30 FIEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)c1 ZINC000186999055 1079851047 /nfs/dbraw/zinc/85/10/47/1079851047.db2.gz OPLCNMHXDSHKLL-UHFFFAOYSA-N 0 1 374.771 4.117 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CNC1(c2cccc(OC)c2)CC1 ZINC000510122841 1080150253 /nfs/dbraw/zinc/15/02/53/1080150253.db2.gz CQDYYNYAAALTAG-UHFFFAOYSA-N 0 1 368.502 4.191 20 30 FIEDMN N#CC(C(=O)Nc1nccs1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000179472866 1080182548 /nfs/dbraw/zinc/18/25/48/1080182548.db2.gz YROORALBBDOTCS-NSHDSACASA-N 0 1 360.851 4.166 20 30 FIEDMN COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc1Cl ZINC000120057922 1080366159 /nfs/dbraw/zinc/36/61/59/1080366159.db2.gz CAJFBFSHSOHONS-ZDUSSCGKSA-N 0 1 369.833 4.357 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)ccc1Cl ZINC000120057922 1080366162 /nfs/dbraw/zinc/36/61/62/1080366162.db2.gz CAJFBFSHSOHONS-ZDUSSCGKSA-N 0 1 369.833 4.357 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000247108002 1080807425 /nfs/dbraw/zinc/80/74/25/1080807425.db2.gz YEWAAPZNJUZTKR-BBWFWOEESA-N 0 1 359.539 4.387 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H](C)CCC[C@@H]1C ZINC000247108002 1080807428 /nfs/dbraw/zinc/80/74/28/1080807428.db2.gz YEWAAPZNJUZTKR-BBWFWOEESA-N 0 1 359.539 4.387 20 30 FIEDMN CCCN(Cc1ccccc1Br)C[C@@H](O)c1cccc(C#N)c1 ZINC001167240472 1080897833 /nfs/dbraw/zinc/89/78/33/1080897833.db2.gz GMVYDKJRDRCSKM-LJQANCHMSA-N 0 1 373.294 4.266 20 30 FIEDMN C#CC[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001167273930 1080938223 /nfs/dbraw/zinc/93/82/23/1080938223.db2.gz VINPKLUKVBLHSV-UHFFFAOYSA-N 0 1 374.500 4.298 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000120950341 1081076017 /nfs/dbraw/zinc/07/60/17/1081076017.db2.gz VULSINLWGFIEMY-OAHLLOKOSA-N 0 1 362.820 4.058 20 30 FIEDMN CCc1[nH]ncc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000610313463 1081406424 /nfs/dbraw/zinc/40/64/24/1081406424.db2.gz NRXWDYOCBICLPJ-UHFFFAOYSA-N 0 1 350.353 4.027 20 30 FIEDMN N#Cc1csc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC000177687717 1081529445 /nfs/dbraw/zinc/52/94/45/1081529445.db2.gz LRTUGBPGGARFQZ-UHFFFAOYSA-N 0 1 365.433 4.301 20 30 FIEDMN N#Cc1ccncc1C(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000580177464 1081730938 /nfs/dbraw/zinc/73/09/38/1081730938.db2.gz SUPNOFROQWAUIS-UHFFFAOYSA-N 0 1 373.803 4.402 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@H](C)c3cccc(C#N)c3)[nH]c2c1 ZINC000610408323 1081787095 /nfs/dbraw/zinc/78/70/95/1081787095.db2.gz STOXEXDMRWLGMB-FOIQADDNSA-N 0 1 373.460 4.351 20 30 FIEDMN CCC[C@H](NCc1cnc2c(C#N)cnn2c1)c1cccc(C(F)(F)F)c1 ZINC000580349700 1081883969 /nfs/dbraw/zinc/88/39/69/1081883969.db2.gz PFZORQAKIKTTIL-KRWDZBQOSA-N 0 1 373.382 4.251 20 30 FIEDMN CCCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H](C)c1cc2ccccc2o1 ZINC000064941040 1081950745 /nfs/dbraw/zinc/95/07/45/1081950745.db2.gz PAVICOFVKLIYDD-QVKFZJNVSA-N 0 1 353.466 4.014 20 30 FIEDMN COc1cc(C#N)ccc1OC1CCN(Cc2cc(C)c(F)c(C)c2)CC1 ZINC001143382267 1082208129 /nfs/dbraw/zinc/20/81/29/1082208129.db2.gz YCBJHBBEETZUAX-UHFFFAOYSA-N 0 1 368.452 4.366 20 30 FIEDMN CCCN(C(=O)c1cc(C#N)cs1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000084091478 1082248884 /nfs/dbraw/zinc/24/88/84/1082248884.db2.gz VSWLFCRJZLTIJE-LJQANCHMSA-N 0 1 367.518 4.137 20 30 FIEDMN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000255338670 1082757076 /nfs/dbraw/zinc/75/70/76/1082757076.db2.gz WHHVQIKWSVOGOH-BOPNBLERSA-N 0 1 366.833 4.143 20 30 FIEDMN N#CC(C(=O)c1ccc(OC(F)F)c(F)c1)c1nc(C2CC2)cs1 ZINC000647379989 1083376447 /nfs/dbraw/zinc/37/64/47/1083376447.db2.gz AYLXUGYMJSHDQU-SNVBAGLBSA-N 0 1 352.337 4.251 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000510949656 1083526101 /nfs/dbraw/zinc/52/61/01/1083526101.db2.gz LCZUEMBWYVUJDO-UHFFFAOYSA-N 0 1 355.441 4.443 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(OC(C)C)cc2)c(C#N)c1C ZINC000179533055 1083554067 /nfs/dbraw/zinc/55/40/67/1083554067.db2.gz YRXZREJCXPUZGP-LSDHHAIUSA-N 0 1 369.465 4.233 20 30 FIEDMN Cc1ccc(NC(=O)C[C@H](C)NCc2ccc(C#N)cc2F)c(Cl)c1 ZINC000610812759 1083724443 /nfs/dbraw/zinc/72/44/43/1083724443.db2.gz PACFPJJNBLGYMK-ZDUSSCGKSA-N 0 1 359.832 4.166 20 30 FIEDMN C[C@@H](NCC(=O)N[C@@H](c1ccccc1)C1CCCC1)c1ccc(C#N)cc1 ZINC000548936652 1083860086 /nfs/dbraw/zinc/86/00/86/1083860086.db2.gz WRJZYHLLLOQPNX-HXOBKFHXSA-N 0 1 361.489 4.257 20 30 FIEDMN C[C@H](N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000136687106 1083877666 /nfs/dbraw/zinc/87/76/66/1083877666.db2.gz SGGTZFQGAFUCOE-YVEFUNNKSA-N 0 1 371.366 4.135 20 30 FIEDMN C[C@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000136687021 1083878314 /nfs/dbraw/zinc/87/83/14/1083878314.db2.gz SGGTZFQGAFUCOE-SJCJKPOMSA-N 0 1 371.366 4.135 20 30 FIEDMN C[C@H](c1cccc(C#N)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187700767 1084039336 /nfs/dbraw/zinc/03/93/36/1084039336.db2.gz ONNUMRQJEXSXFW-OAHLLOKOSA-N 0 1 351.406 4.071 20 30 FIEDMN Fc1cc(Br)ccc1N=NCc1ccc(-n2cccn2)cc1 ZINC000728432140 1084066494 /nfs/dbraw/zinc/06/64/94/1084066494.db2.gz JPLFUHQYWOZXPW-UHFFFAOYSA-N 0 1 359.202 4.220 20 30 FIEDMN Fc1cc(Br)ccc1N=NCc1ccc(-n2ccnc2)cc1 ZINC000728432840 1084085933 /nfs/dbraw/zinc/08/59/33/1084085933.db2.gz DRIYRBMJYAQMIZ-UHFFFAOYSA-N 0 1 359.202 4.220 20 30 FIEDMN C#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2c2nc3ccccc3o2)cc1 ZINC001167691406 1084129188 /nfs/dbraw/zinc/12/91/88/1084129188.db2.gz WVPIGVYOHWNOQS-HXUWFJFHSA-N 0 1 373.456 4.365 20 30 FIEDMN COC(=O)c1ccccc1-c1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)o1 ZINC000728439310 1084168848 /nfs/dbraw/zinc/16/88/48/1084168848.db2.gz ZKTBEESPTYSSKL-JXMROGBWSA-N 0 1 366.344 4.474 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000177715895 1084251270 /nfs/dbraw/zinc/25/12/70/1084251270.db2.gz UAMBTPANLLMNLF-HNNXBMFYSA-N 0 1 358.363 4.138 20 30 FIEDMN N#CC(C(=O)c1ccn(-c2ccccc2F)n1)c1ccc2ccccc2n1 ZINC000613292811 1084554702 /nfs/dbraw/zinc/55/47/02/1084554702.db2.gz XSRHPTGTQXCAFA-HNNXBMFYSA-N 0 1 356.360 4.050 20 30 FIEDMN N#CC(C(=O)c1ccc(F)c(Br)c1)c1nc2ccccc2o1 ZINC000174013767 1084720763 /nfs/dbraw/zinc/72/07/63/1084720763.db2.gz NRGZVUINVPGDQW-SNVBAGLBSA-N 0 1 359.154 4.219 20 30 FIEDMN COc1cccc(OCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000051534969 1084787146 /nfs/dbraw/zinc/78/71/46/1084787146.db2.gz LCXWIWNCYWDULW-QGZVFWFLSA-N 0 1 364.426 4.074 20 30 FIEDMN CCCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](CC)c1ccccc1 ZINC000478420444 1084946671 /nfs/dbraw/zinc/94/66/71/1084946671.db2.gz XIQQTVCSHLUSML-OAQYLSRUSA-N 0 1 370.518 4.195 20 30 FIEDMN Cc1nnc(-c2cccc(C(=O)C(C#N)c3nccc4ccccc43)c2)o1 ZINC000582521836 1085092492 /nfs/dbraw/zinc/09/24/92/1085092492.db2.gz UCGLXDPTYIPNCR-GOSISDBHSA-N 0 1 354.369 4.083 20 30 FIEDMN Cc1sc(C2(NCCOCCC#N)CCC2)nc1-c1ccccc1F ZINC000582534775 1085101224 /nfs/dbraw/zinc/10/12/24/1085101224.db2.gz ACMOOSMTTWPICM-UHFFFAOYSA-N 0 1 359.470 4.157 20 30 FIEDMN C=C(C)[C@@H](NCCCS(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187763756 1085103298 /nfs/dbraw/zinc/10/32/98/1085103298.db2.gz LIDYTRIKJGBQCA-LJQANCHMSA-N 0 1 365.445 4.036 20 30 FIEDMN COC(=O)c1cccc(CN2CCC[C@]3(CCCc4ccccc43)C2)c1C#N ZINC001167582277 1085103714 /nfs/dbraw/zinc/10/37/14/1085103714.db2.gz NGIOZHVNFOQUFS-XMMPIXPASA-N 0 1 374.484 4.215 20 30 FIEDMN Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccn1C ZINC000684948577 1085285866 /nfs/dbraw/zinc/28/58/66/1085285866.db2.gz XXAYBPITMCVTIM-LBPRGKRZSA-N 0 1 363.364 4.452 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccn1C ZINC000684948577 1085285873 /nfs/dbraw/zinc/28/58/73/1085285873.db2.gz XXAYBPITMCVTIM-LBPRGKRZSA-N 0 1 363.364 4.452 20 30 FIEDMN N#CC(C(=O)CCSc1ccccn1)c1nc2ccccc2n1C(F)F ZINC000176726586 1085370483 /nfs/dbraw/zinc/37/04/83/1085370483.db2.gz IGGMCVBBPVSZOM-GFCCVEGCSA-N 0 1 372.400 4.185 20 30 FIEDMN C=CCOc1ccc(CNCc2cnc(C(F)(F)F)nc2)cc1Cl ZINC000657551027 1085518811 /nfs/dbraw/zinc/51/88/11/1085518811.db2.gz VIBOATYPZVYNOI-UHFFFAOYSA-N 0 1 357.763 4.003 20 30 FIEDMN Cc1ccccc1C1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075717824 1085528279 /nfs/dbraw/zinc/52/82/79/1085528279.db2.gz AIZHFFIQTRMRQU-UHFFFAOYSA-N 0 1 358.445 4.296 20 30 FIEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CC1CCC(OC)CC1 ZINC000136603652 1085575782 /nfs/dbraw/zinc/57/57/82/1085575782.db2.gz AZBYRMDMUDYGKR-XUJQIHCRSA-N 0 1 370.493 4.054 20 30 FIEDMN N#CC(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1nc2ccccc2s1 ZINC000048823423 1085705376 /nfs/dbraw/zinc/70/53/76/1085705376.db2.gz BRKRJBJMNRYTGN-GFCCVEGCSA-N 0 1 362.370 4.176 20 30 FIEDMN N#C[C@H](C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1nc2ccccc2s1 ZINC000048823423 1085705386 /nfs/dbraw/zinc/70/53/86/1085705386.db2.gz BRKRJBJMNRYTGN-GFCCVEGCSA-N 0 1 362.370 4.176 20 30 FIEDMN CN(Cc1ccco1)Cc1ccccc1CNc1ccc(Cl)c(C#N)n1 ZINC000078335877 1085711838 /nfs/dbraw/zinc/71/18/38/1085711838.db2.gz GEPOLCAPMGDJNE-UHFFFAOYSA-N 0 1 366.852 4.444 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnn(-c3ccc(F)cc3)c2)s1 ZINC000647264671 1085856984 /nfs/dbraw/zinc/85/69/84/1085856984.db2.gz LPYOEHCCHWIFSE-OAHLLOKOSA-N 0 1 368.437 4.255 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000487365593 1085858205 /nfs/dbraw/zinc/85/82/05/1085858205.db2.gz WLNIXOAMDFXBLF-UHFFFAOYSA-N 0 1 367.537 4.102 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000218872381 1086358302 /nfs/dbraw/zinc/35/83/02/1086358302.db2.gz QEYRARDXEKDVEJ-JKSUJKDBSA-N 0 1 358.482 4.295 20 30 FIEDMN CC(C)(C)c1ncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000685143327 1086724146 /nfs/dbraw/zinc/72/41/46/1086724146.db2.gz YNHORTZUDCOMNC-LBPRGKRZSA-N 0 1 369.375 4.009 20 30 FIEDMN CC(C)(C)OC(=O)N1CCC(N(Cc2ccc(F)cc2C#N)C2CC2)CC1 ZINC000728570029 1086775002 /nfs/dbraw/zinc/77/50/02/1086775002.db2.gz UHUDAMXEBSCZRR-UHFFFAOYSA-N 0 1 373.472 4.061 20 30 FIEDMN C=CCOc1cccc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000536163864 1087039181 /nfs/dbraw/zinc/03/91/81/1087039181.db2.gz RROKPYGEKHEXMT-SFHVURJKSA-N 0 1 351.368 4.093 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 ZINC000176827967 1087283050 /nfs/dbraw/zinc/28/30/50/1087283050.db2.gz KMTRBUBKFYZBKX-UHFFFAOYSA-N 0 1 367.792 4.144 20 30 FIEDMN N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc4ccoc4c3)CC2)cc1 ZINC000584449014 1087429443 /nfs/dbraw/zinc/42/94/43/1087429443.db2.gz YUJGMIJNVRMJSB-UHFFFAOYSA-N 0 1 374.444 4.044 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(c2cccnc2)CC2(CCC2)C1 ZINC000892419295 1087689411 /nfs/dbraw/zinc/68/94/11/1087689411.db2.gz BPHCRDXPSAVGKK-QGZVFWFLSA-N 0 1 370.456 4.047 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c(C)n1CC(F)(F)F ZINC000647376687 1087797943 /nfs/dbraw/zinc/79/79/43/1087797943.db2.gz XGDUYOIVBNDWTD-ZDUSSCGKSA-N 0 1 367.396 4.491 20 30 FIEDMN N#Cc1ccccc1OCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180579198 1087967020 /nfs/dbraw/zinc/96/70/20/1087967020.db2.gz IGJKKNIYDKXLIR-MRXNPFEDSA-N 0 1 352.331 4.359 20 30 FIEDMN C=CCCc1ccccc1NC(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000505039989 1088080645 /nfs/dbraw/zinc/08/06/45/1088080645.db2.gz RWXBXEUQQBOLHO-OAQYLSRUSA-N 0 1 367.493 4.238 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c(C)n1C1CCOCC1 ZINC000659115654 1088122156 /nfs/dbraw/zinc/12/21/56/1088122156.db2.gz FHGPIAFJAFWQKA-QGZVFWFLSA-N 0 1 369.490 4.280 20 30 FIEDMN O=C(Nc1ccc(F)cc1)C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177100426 1088213562 /nfs/dbraw/zinc/21/35/62/1088213562.db2.gz NTIFURPZKFXTQR-UHFFFAOYSA-N 0 1 370.855 4.181 20 30 FIEDMN CCCO[C@H]1CCCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181105253 1088252817 /nfs/dbraw/zinc/25/28/17/1088252817.db2.gz LEAVFYQZBOYCLJ-INIZCTEOSA-N 0 1 351.288 4.102 20 30 FIEDMN C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1SCC#N ZINC000177527129 1088349400 /nfs/dbraw/zinc/34/94/00/1088349400.db2.gz BHGFKKQXILPJRL-AEFFLSMTSA-N 0 1 365.502 4.119 20 30 FIEDMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000115553587 1088369264 /nfs/dbraw/zinc/36/92/64/1088369264.db2.gz ZSOIYHDAJFZOFS-SJLPKXTDSA-N 0 1 365.502 4.119 20 30 FIEDMN C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)Nc1ccccc1SCC#N ZINC000115553587 1088369276 /nfs/dbraw/zinc/36/92/76/1088369276.db2.gz ZSOIYHDAJFZOFS-SJLPKXTDSA-N 0 1 365.502 4.119 20 30 FIEDMN C=CCCOCCCCC(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC000425038478 1088390465 /nfs/dbraw/zinc/39/04/65/1088390465.db2.gz LWWXFPYNIONGSN-UHFFFAOYSA-N 0 1 365.543 4.001 20 30 FIEDMN CC(C)(C#N)c1ccccc1CSc1nc(-c2ccccc2O)n[nH]1 ZINC000178377990 1088561352 /nfs/dbraw/zinc/56/13/52/1088561352.db2.gz BFBWXEWMHFKIFO-UHFFFAOYSA-N 0 1 350.447 4.271 20 30 FIEDMN C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000434902726 1089123777 /nfs/dbraw/zinc/12/37/77/1089123777.db2.gz JGUBJFYEDHQNEE-KBXCAEBGSA-N 0 1 353.853 4.028 20 30 FIEDMN N#Cc1ccc(CN2CCC(c3ccc(O)cc3)CC2)c(Br)c1 ZINC000480749305 1089273048 /nfs/dbraw/zinc/27/30/48/1089273048.db2.gz NENFWBJYBLIPOT-UHFFFAOYSA-N 0 1 371.278 4.406 20 30 FIEDMN C=CCCCCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472772320 1089411188 /nfs/dbraw/zinc/41/11/88/1089411188.db2.gz UOAUXKGZLMWNEY-YJBOKZPZSA-N 0 1 367.896 4.127 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC(=O)N1CCC[C@H]1c1ccsc1)CC2 ZINC000330112355 1089415340 /nfs/dbraw/zinc/41/53/40/1089415340.db2.gz RSOGPKFIKPTRMK-SJORKVTESA-N 0 1 358.511 4.134 20 30 FIEDMN Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435727446 1089900734 /nfs/dbraw/zinc/90/07/34/1089900734.db2.gz XWBFFKPMVITFOS-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN Cc1c([C@@H](C)NCc2ccc(OCC#N)cc2)cnn1-c1ccc(F)cc1 ZINC000180551138 1090213973 /nfs/dbraw/zinc/21/39/73/1090213973.db2.gz YWOXXAGIGGRKHL-OAHLLOKOSA-N 0 1 364.424 4.073 20 30 FIEDMN CC(C)CN(Cc1cnc2c(C#N)cnn2c1)[C@H](C)c1ccccc1Cl ZINC000566241833 1090354930 /nfs/dbraw/zinc/35/49/30/1090354930.db2.gz AYWUNFUSOKYHMK-OAHLLOKOSA-N 0 1 367.884 4.474 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000584581307 1090518327 /nfs/dbraw/zinc/51/83/27/1090518327.db2.gz LLKCAEIUCUFPRG-IBGZPJMESA-N 0 1 372.472 4.049 20 30 FIEDMN N#C[C@]1(C(=O)Nc2cc(Br)cc(Cl)c2O)CC12CCCC2 ZINC000590687370 1091633786 /nfs/dbraw/zinc/63/37/86/1091633786.db2.gz HKJPENNIAXIMBA-HNNXBMFYSA-N 0 1 369.646 4.221 20 30 FIEDMN CCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc(C)cc1 ZINC000521221662 1092584506 /nfs/dbraw/zinc/58/45/06/1092584506.db2.gz QSHVTCTXCMCJDM-UHFFFAOYSA-N 0 1 369.896 4.417 20 30 FIEDMN C=CCOc1ccc(CNCc2cc(OC)c(OC)cc2SC)cc1 ZINC000512516951 1092619633 /nfs/dbraw/zinc/61/96/33/1092619633.db2.gz OBEIANZMLIEKFS-UHFFFAOYSA-N 0 1 359.491 4.280 20 30 FIEDMN CCn1ncc2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)c(C)nc21 ZINC000442536964 1092665425 /nfs/dbraw/zinc/66/54/25/1092665425.db2.gz BPHJZXSFWZOSKQ-AWEZNQCLSA-N 0 1 367.478 4.004 20 30 FIEDMN COc1cc(CN(C)Cc2ccc(OC(F)(F)F)cc2)ccc1C#N ZINC000442804567 1092764527 /nfs/dbraw/zinc/76/45/27/1092764527.db2.gz VSQALIOMUYBRHR-UHFFFAOYSA-N 0 1 350.340 4.097 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc3ccoc3c2)c(C(F)(F)F)c1 ZINC000442850808 1092793806 /nfs/dbraw/zinc/79/38/06/1092793806.db2.gz PRPNCKRQKFOMDT-UHFFFAOYSA-N 0 1 366.320 4.124 20 30 FIEDMN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc2ccccc2o1 ZINC000442882988 1092837102 /nfs/dbraw/zinc/83/71/02/1092837102.db2.gz UANAHDVMXRCIAQ-DNVCBOLYSA-N 0 1 359.429 4.151 20 30 FIEDMN CCOc1c(Cl)cc(NC(=O)c2ccc(C#N)c(O)c2)cc1Cl ZINC000443124376 1092954421 /nfs/dbraw/zinc/95/44/21/1092954421.db2.gz RYUXEZUKFVRLFO-UHFFFAOYSA-N 0 1 351.189 4.222 20 30 FIEDMN CCCCc1nc2ccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)cc2[nH]1 ZINC000521884611 1092959446 /nfs/dbraw/zinc/95/94/46/1092959446.db2.gz LBFWNBKLRZFQOH-AWEZNQCLSA-N 0 1 362.433 4.183 20 30 FIEDMN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2F)cc1OC(F)F ZINC000512643106 1093056949 /nfs/dbraw/zinc/05/69/49/1093056949.db2.gz VQTBIQWMWWRJLH-NSHDSACASA-N 0 1 350.340 4.158 20 30 FIEDMN CCN(CC)C(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512653559 1093080040 /nfs/dbraw/zinc/08/00/40/1093080040.db2.gz FXXOPCUYJXZLFT-OAHLLOKOSA-N 0 1 353.441 4.030 20 30 FIEDMN C[C@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(C#N)cc1F ZINC000512666313 1093105553 /nfs/dbraw/zinc/10/55/53/1093105553.db2.gz JVIURVUJRVICDH-INIZCTEOSA-N 0 1 352.457 4.179 20 30 FIEDMN C[C@@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(C#N)cc1F ZINC000512671516 1093116529 /nfs/dbraw/zinc/11/65/29/1093116529.db2.gz FOENYBWVCMYTBU-OAHLLOKOSA-N 0 1 374.419 4.195 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1C#N ZINC000327078163 1093349263 /nfs/dbraw/zinc/34/92/63/1093349263.db2.gz FQMNJZORTBGRQK-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512812254 1093383494 /nfs/dbraw/zinc/38/34/94/1093383494.db2.gz RJTHGGGKSQSFMI-AWEZNQCLSA-N 0 1 369.396 4.210 20 30 FIEDMN C=CCc1cc(CNCc2ccc(OC(F)F)c(F)c2)cc(OC)c1O ZINC000549887438 1093442537 /nfs/dbraw/zinc/44/25/37/1093442537.db2.gz KSTNGBJIDVXLFJ-UHFFFAOYSA-N 0 1 367.367 4.160 20 30 FIEDMN N#CC[C@H](CC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000474195258 1093568751 /nfs/dbraw/zinc/56/87/51/1093568751.db2.gz GUBUMMBTWYPUCJ-WOJBJXKFSA-N 0 1 365.477 4.010 20 30 FIEDMN CC(C)(C#N)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000474196927 1093570270 /nfs/dbraw/zinc/57/02/70/1093570270.db2.gz KBTCLCJBGSYBCJ-LJQANCHMSA-N 0 1 365.477 4.038 20 30 FIEDMN CCS[C@H](C(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC)C(C)C ZINC000727626931 1093661940 /nfs/dbraw/zinc/66/19/40/1093661940.db2.gz JDQIFCOAAZYHML-APWZRJJASA-N 0 1 360.523 4.236 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cccc4c3OCO4)n2)cc1 ZINC000614385877 1093802106 /nfs/dbraw/zinc/80/21/06/1093802106.db2.gz NWDXDLVJGAXCLE-OAHLLOKOSA-N 0 1 362.410 4.337 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C(C)(C)C)C1 ZINC000544190380 1093950282 /nfs/dbraw/zinc/95/02/82/1093950282.db2.gz MLKYLMDTAHONJN-HOTGVXAUSA-N 0 1 359.539 4.245 20 30 FIEDMN N#Cc1ccc(CN(CCOCC(F)(F)F)Cc2cccc(F)c2)cc1 ZINC000513412161 1094111384 /nfs/dbraw/zinc/11/13/84/1094111384.db2.gz VWDPRXOZRSTWPL-UHFFFAOYSA-N 0 1 366.358 4.278 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2ccccn2)c2ccc(Br)cc2n1 ZINC000054452514 1094458467 /nfs/dbraw/zinc/45/84/67/1094458467.db2.gz HNWWSAXTTZODCC-OAHLLOKOSA-N 0 1 366.218 4.191 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1 ZINC000041516228 1094639470 /nfs/dbraw/zinc/63/94/70/1094639470.db2.gz SKSVDUIJUAWSKR-KRWDZBQOSA-N 0 1 364.401 4.312 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1 ZINC000041516228 1094639483 /nfs/dbraw/zinc/63/94/83/1094639483.db2.gz SKSVDUIJUAWSKR-KRWDZBQOSA-N 0 1 364.401 4.312 20 30 FIEDMN CSc1ccccc1[C@@H](C)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000501560418 1094778895 /nfs/dbraw/zinc/77/88/95/1094778895.db2.gz IBTWHGRKXJPIJP-GFCCVEGCSA-N 0 1 359.520 4.248 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NC[C@H]3CCCSC3)[nH]c2c1 ZINC000329297725 1094826708 /nfs/dbraw/zinc/82/67/08/1094826708.db2.gz LABTWJRBRHIFPS-PBHICJAKSA-N 0 1 358.511 4.065 20 30 FIEDMN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000329337645 1094847753 /nfs/dbraw/zinc/84/77/53/1094847753.db2.gz MNZYQHOGSGMFQZ-JFRXWTBNSA-N 0 1 354.498 4.207 20 30 FIEDMN C[C@H](C(=O)NCC1CCCCC1)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000329342902 1094852855 /nfs/dbraw/zinc/85/28/55/1094852855.db2.gz PTQJIXYVQOMWBJ-VQIMIIECSA-N 0 1 354.498 4.208 20 30 FIEDMN C=CCCC1(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)CC1 ZINC000474917363 1094908129 /nfs/dbraw/zinc/90/81/29/1094908129.db2.gz XTGMXIIFTKLNQL-UHFFFAOYSA-N 0 1 369.509 4.186 20 30 FIEDMN C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000329466429 1094921186 /nfs/dbraw/zinc/92/11/86/1094921186.db2.gz VOZBRHXYPNRWNP-ZIAGYGMSSA-N 0 1 359.495 4.164 20 30 FIEDMN C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCC2(CCOCC2)[C@H]1C ZINC000329466429 1094921189 /nfs/dbraw/zinc/92/11/89/1094921189.db2.gz VOZBRHXYPNRWNP-ZIAGYGMSSA-N 0 1 359.495 4.164 20 30 FIEDMN C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000329466428 1094921586 /nfs/dbraw/zinc/92/15/86/1094921586.db2.gz VOZBRHXYPNRWNP-UONOGXRCSA-N 0 1 359.495 4.164 20 30 FIEDMN C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCC2(CCOCC2)[C@H]1C ZINC000329466428 1094921588 /nfs/dbraw/zinc/92/15/88/1094921588.db2.gz VOZBRHXYPNRWNP-UONOGXRCSA-N 0 1 359.495 4.164 20 30 FIEDMN [O-]C(=[NH+]CCc1cccc(O)c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000329469864 1094922321 /nfs/dbraw/zinc/92/23/21/1094922321.db2.gz YJRGCGILTRXIOF-PWRODBHTSA-N 0 1 350.462 4.117 20 30 FIEDMN [O-]C(=[NH+]CCc1cccc(O)c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000329469863 1094922471 /nfs/dbraw/zinc/92/24/71/1094922471.db2.gz YJRGCGILTRXIOF-HBMCJLEFSA-N 0 1 350.462 4.117 20 30 FIEDMN O=C(N[C@H]1CCc2nc[nH]c2C1)N1CCC(c2cccc3ccccc32)CC1 ZINC000329618574 1095007055 /nfs/dbraw/zinc/00/70/55/1095007055.db2.gz QNHFCZMULNZCCD-SFHVURJKSA-N 0 1 374.488 4.214 20 30 FIEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC(c2cccc3ccccc32)CC1 ZINC000329618573 1095007321 /nfs/dbraw/zinc/00/73/21/1095007321.db2.gz QNHFCZMULNZCCD-GOSISDBHSA-N 0 1 374.488 4.214 20 30 FIEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000329628622 1095020347 /nfs/dbraw/zinc/02/03/47/1095020347.db2.gz UTLZFUUOVKEGKD-IERDGZPVSA-N 0 1 360.461 4.171 20 30 FIEDMN O=C(NC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCCCC12CCCC2 ZINC000329638411 1095035959 /nfs/dbraw/zinc/03/59/59/1095035959.db2.gz WDGCPWTVXPTHAZ-HXUWFJFHSA-N 0 1 370.541 4.053 20 30 FIEDMN CCc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)s1 ZINC000329638719 1095036983 /nfs/dbraw/zinc/03/69/83/1095036983.db2.gz AUCLIGGCTLPPPG-OTWHNJEPSA-N 0 1 364.555 4.173 20 30 FIEDMN Cc1cnn([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4ccc(C(C)C)cc43)C2)c1 ZINC000329672440 1095092113 /nfs/dbraw/zinc/09/21/13/1095092113.db2.gz SLRXDSLYRALLME-UYAOXDASSA-N 0 1 352.482 4.163 20 30 FIEDMN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCC(OCC3CC3)CC2)c(C)c1 ZINC000329691042 1095146419 /nfs/dbraw/zinc/14/64/19/1095146419.db2.gz DITAXENMZRKSNN-MRXNPFEDSA-N 0 1 373.497 4.085 20 30 FIEDMN C=C(C)[C@@H](NCc1ccc(CN2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000420924130 1095166226 /nfs/dbraw/zinc/16/62/26/1095166226.db2.gz RXILZWWTZFIDSX-JOCHJYFZSA-N 0 1 372.459 4.204 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)NC[C@H]3CCCC[C@H]3C(F)(F)F)C2)n[nH]1 ZINC000329700681 1095173575 /nfs/dbraw/zinc/17/35/75/1095173575.db2.gz GWMWYBCHZUZZHQ-QLFBSQMISA-N 0 1 372.435 4.180 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NC[C@H]3CCCC[C@H]3C(F)(F)F)C2)n[nH]1 ZINC000329700682 1095173750 /nfs/dbraw/zinc/17/37/50/1095173750.db2.gz GWMWYBCHZUZZHQ-RBSFLKMASA-N 0 1 372.435 4.180 20 30 FIEDMN Cc1nc2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc2[nH]1 ZINC000443906652 1095179401 /nfs/dbraw/zinc/17/94/01/1095179401.db2.gz JLUFWFVBTZSTNM-UHFFFAOYSA-N 0 1 357.417 4.382 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C2CCCC2)C1 ZINC000420963464 1095204577 /nfs/dbraw/zinc/20/45/77/1095204577.db2.gz NOJZWNUMHUFSOJ-SJLPKXTDSA-N 0 1 371.550 4.389 20 30 FIEDMN CC(C)c1nc([C@H]2CCCCN2CC(=O)Nc2cc(F)cc(F)c2)n[nH]1 ZINC000329818601 1095276426 /nfs/dbraw/zinc/27/64/26/1095276426.db2.gz GGGARMRJMTXQCW-OAHLLOKOSA-N 0 1 363.412 4.022 20 30 FIEDMN C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000330015643 1095352474 /nfs/dbraw/zinc/35/24/74/1095352474.db2.gz OHMWFZQWCQBACW-JGVFFNPUSA-N 0 1 360.635 4.401 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N(CC1CCCCC1)C1CC1)CC2 ZINC000330058705 1095365109 /nfs/dbraw/zinc/36/51/09/1095365109.db2.gz ZJSBIOQVMXOUTH-GOSISDBHSA-N 0 1 358.530 4.280 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H]([NH+]=C([O-])N(CC1CC1)C1CCCCC1)CC2 ZINC000330058531 1095365605 /nfs/dbraw/zinc/36/56/05/1095365605.db2.gz ZCRVUIVGHALDGB-SFHVURJKSA-N 0 1 358.530 4.280 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC([O-])=[NH+]C1(c3ccccc3)CCCC1)CC2 ZINC000330072190 1095372081 /nfs/dbraw/zinc/37/20/81/1095372081.db2.gz YVDMWIOZYPJPQU-LJQANCHMSA-N 0 1 366.509 4.294 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])NC1(c3ccccc3)CCCC1)CC2 ZINC000330072190 1095372102 /nfs/dbraw/zinc/37/21/02/1095372102.db2.gz YVDMWIOZYPJPQU-LJQANCHMSA-N 0 1 366.509 4.294 20 30 FIEDMN Cc1nc(NC(=O)[C@@H]2CCCN2C2CCCC2)sc1SCC#N ZINC000330147751 1095394180 /nfs/dbraw/zinc/39/41/80/1095394180.db2.gz UHZFBOPAHXADMK-ZDUSSCGKSA-N 0 1 350.513 4.062 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000330158381 1095398184 /nfs/dbraw/zinc/39/81/84/1095398184.db2.gz QAOHZXJXCNSSHD-QGZVFWFLSA-N 0 1 350.397 4.357 20 30 FIEDMN CC[C@@H]1C[C@@]1(NCC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(C)c1 ZINC000502478385 1095508418 /nfs/dbraw/zinc/50/84/18/1095508418.db2.gz BQBVJSJMUZSRDH-IERDGZPVSA-N 0 1 367.880 4.374 20 30 FIEDMN CC(C)(C)c1nn(-c2ccccc2)cc1CNCc1ccc(C#N)s1 ZINC000421345316 1095539392 /nfs/dbraw/zinc/53/93/92/1095539392.db2.gz AMJFUHBWVOUZBZ-UHFFFAOYSA-N 0 1 350.491 4.393 20 30 FIEDMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCc1ccc(C#N)s1 ZINC000421352181 1095545983 /nfs/dbraw/zinc/54/59/83/1095545983.db2.gz NJLRDRUPNZKELM-UHFFFAOYSA-N 0 1 350.491 4.080 20 30 FIEDMN COc1cc(CNCc2ccc(C#N)c(F)c2)ccc1OC1CCCC1 ZINC000421334323 1095550639 /nfs/dbraw/zinc/55/06/39/1095550639.db2.gz PZQQCKXNYYTUMW-UHFFFAOYSA-N 0 1 354.425 4.317 20 30 FIEDMN C=C(C)COc1cc(CNCc2ccc3c(n2)CCCC3)ccc1OC ZINC000444012835 1095613428 /nfs/dbraw/zinc/61/34/28/1095613428.db2.gz MHLYSPOCIUUQNP-UHFFFAOYSA-N 0 1 352.478 4.214 20 30 FIEDMN N#Cc1cnc2ccccc2c1N1CCN(CCSc2ccccc2)CC1 ZINC000522775409 1095656490 /nfs/dbraw/zinc/65/64/90/1095656490.db2.gz TVFRYHIZZJAJDT-UHFFFAOYSA-N 0 1 374.513 4.021 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H]3CCC[C@@H]32)c1C#N ZINC000444182315 1095818866 /nfs/dbraw/zinc/81/88/66/1095818866.db2.gz KXXMZWHWZPSMOE-XLIONFOSSA-N 0 1 368.525 4.295 20 30 FIEDMN CC1(C#N)CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000272575264 1096192006 /nfs/dbraw/zinc/19/20/06/1096192006.db2.gz WZXRVNQEFOFTJL-UHFFFAOYSA-N 0 1 357.461 4.060 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)c2cccc3[nH]c(-c4cccs4)nc32)c1 ZINC000760018834 1096413942 /nfs/dbraw/zinc/41/39/42/1096413942.db2.gz JIHRBFGCRDABFH-UHFFFAOYSA-N 0 1 360.398 4.121 20 30 FIEDMN N#Cc1ccsc1NC(=O)CN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000503549910 1096467992 /nfs/dbraw/zinc/46/79/92/1096467992.db2.gz CHTGDXRJQICUMD-GOSISDBHSA-N 0 1 351.475 4.100 20 30 FIEDMN CC[C@@H](N[C@H](Cn1ccccc1=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000503953829 1096610994 /nfs/dbraw/zinc/61/09/94/1096610994.db2.gz RHIFVFYMJSMBFJ-FGZHOGPDSA-N 0 1 357.457 4.202 20 30 FIEDMN Cc1cc(N2CCCCCC2)ccc1N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000504414612 1096771594 /nfs/dbraw/zinc/77/15/94/1096771594.db2.gz CTTZDXIBIVQPDU-PGRDOPGGSA-N 0 1 370.541 4.230 20 30 FIEDMN CC[C@H]1CN(CC)CCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000454762720 1098749083 /nfs/dbraw/zinc/74/90/83/1098749083.db2.gz OLBHMSVLBCPGAJ-HOTGVXAUSA-N 0 1 360.527 4.029 20 30 FIEDMN C=CCC1(C(=O)Nc2cccc3c2CN(CCC(C)C)C3)CCOCC1 ZINC000425477787 1098770004 /nfs/dbraw/zinc/77/00/04/1098770004.db2.gz OYCHJASWTSDEQJ-UHFFFAOYSA-N 0 1 356.510 4.360 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cnn4c3CCCC4)n2)cc1 ZINC000533545902 1099156762 /nfs/dbraw/zinc/15/67/62/1099156762.db2.gz FZWKZCDCFPRFKQ-HNNXBMFYSA-N 0 1 362.458 4.141 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@H](c1cccnc1)C1CC1 ZINC000516116235 1099197515 /nfs/dbraw/zinc/19/75/15/1099197515.db2.gz PKNIWKKAIQUTGZ-FQEVSTJZSA-N 0 1 353.491 4.039 20 30 FIEDMN C#CCN1CCC[C@@H]1COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000729810081 1099694978 /nfs/dbraw/zinc/69/49/78/1099694978.db2.gz SRJPFQIGVCTIRG-GXYBQNOFSA-N 0 1 369.461 4.069 20 30 FIEDMN C#CCN1CCC[C@@H]1COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000729810084 1099695448 /nfs/dbraw/zinc/69/54/48/1099695448.db2.gz SRJPFQIGVCTIRG-XWALVKJWSA-N 0 1 369.461 4.069 20 30 FIEDMN COCCN(Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)c1ccccc1 ZINC000437442042 1099914908 /nfs/dbraw/zinc/91/49/08/1099914908.db2.gz ZNGIFGVRJFWGHD-HNNXBMFYSA-N 0 1 360.404 4.369 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)s1 ZINC000437505707 1099969205 /nfs/dbraw/zinc/96/92/05/1099969205.db2.gz FRVGKJHQOLTGEF-UHFFFAOYSA-N 0 1 371.425 4.324 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)s1 ZINC000437505707 1099969206 /nfs/dbraw/zinc/96/92/06/1099969206.db2.gz FRVGKJHQOLTGEF-UHFFFAOYSA-N 0 1 371.425 4.324 20 30 FIEDMN Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccc(C#N)cc2C)s1 ZINC000437657722 1100073576 /nfs/dbraw/zinc/07/35/76/1100073576.db2.gz ROAZZUSJPGSOHM-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN COc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437868850 1100249206 /nfs/dbraw/zinc/24/92/06/1100249206.db2.gz DGDUAMKBKNQGLK-OAHLLOKOSA-N 0 1 358.388 4.158 20 30 FIEDMN COc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437868849 1100249312 /nfs/dbraw/zinc/24/93/12/1100249312.db2.gz DGDUAMKBKNQGLK-HNNXBMFYSA-N 0 1 358.388 4.158 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459524345 1100272882 /nfs/dbraw/zinc/27/28/82/1100272882.db2.gz JVFJSIFCDQAWGG-UHFFFAOYSA-N 0 1 355.486 4.276 20 30 FIEDMN FC(F)(F)[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)CC12CCOCC2 ZINC000459660856 1100407125 /nfs/dbraw/zinc/40/71/25/1100407125.db2.gz LPKKQIYBKGGBJP-QGZVFWFLSA-N 0 1 371.830 4.373 20 30 FIEDMN N#CC(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000517570896 1100506291 /nfs/dbraw/zinc/50/62/91/1100506291.db2.gz YNYMPLVXFZPCFR-HNNXBMFYSA-N 0 1 367.361 4.347 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)c1ccco1 ZINC000426153790 1100922948 /nfs/dbraw/zinc/92/29/48/1100922948.db2.gz OPEMHCGXJAXMFO-INIZCTEOSA-N 0 1 360.845 4.009 20 30 FIEDMN N#CCCn1cc(CNCc2cc3ccccc3o2)c(-c2ccccc2)n1 ZINC000172114056 1101312090 /nfs/dbraw/zinc/31/20/90/1101312090.db2.gz VDYNMBVJUGNLQD-UHFFFAOYSA-N 0 1 356.429 4.500 20 30 FIEDMN C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000439326621 1101348347 /nfs/dbraw/zinc/34/83/47/1101348347.db2.gz JUWMPCVPHIXVGX-UZLBHIALSA-N 0 1 358.445 4.376 20 30 FIEDMN CC(C)Oc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000537022736 1101400062 /nfs/dbraw/zinc/40/00/62/1101400062.db2.gz WWVOFQIYIOMPAG-CQSZACIVSA-N 0 1 371.868 4.288 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CC)c1ccccc1OC(F)F ZINC000537053256 1101429238 /nfs/dbraw/zinc/42/92/38/1101429238.db2.gz IPOHNVIRIQBMFN-GOEBONIOSA-N 0 1 354.441 4.142 20 30 FIEDMN C=CCc1cc(CN(Cc2ccccc2OC)C2CC2)cc(OC)c1O ZINC000506577256 1101436548 /nfs/dbraw/zinc/43/65/48/1101436548.db2.gz IAFAVPRVOUMJSN-UHFFFAOYSA-N 0 1 353.462 4.303 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CNC1(c2cccc(F)c2)CC1 ZINC000537113899 1101479472 /nfs/dbraw/zinc/47/94/72/1101479472.db2.gz PQUNDHNXLOZJFY-UHFFFAOYSA-N 0 1 356.466 4.321 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000475744634 1101568896 /nfs/dbraw/zinc/56/88/96/1101568896.db2.gz AFIYXQIMXAZICJ-TWMKSMIVSA-N 0 1 359.539 4.386 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000475747208 1101576292 /nfs/dbraw/zinc/57/62/92/1101576292.db2.gz IFJUIEFXPCVOFE-NCOADZHNSA-N 0 1 359.539 4.243 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1cccc(C#N)c1 ZINC000140348541 1101604567 /nfs/dbraw/zinc/60/45/67/1101604567.db2.gz IMGFOZWEDNBURF-STQMWFEESA-N 0 1 361.367 4.255 20 30 FIEDMN N#Cc1ccnc(N2CCN(Cc3cc(-c4ccccc4)cs3)CC2)c1 ZINC000506659310 1101721375 /nfs/dbraw/zinc/72/13/75/1101721375.db2.gz CFOUYTGIGONEKF-UHFFFAOYSA-N 0 1 360.486 4.004 20 30 FIEDMN C=CCCOCCNCc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000756991837 1101782600 /nfs/dbraw/zinc/78/26/00/1101782600.db2.gz YTBYUDNRLHZKII-UHFFFAOYSA-N 0 1 354.281 4.170 20 30 FIEDMN C[C@H](/N=C/c1cc(Br)cc(Br)c1O)c1ccc[nH]1 ZINC000760229068 1101888295 /nfs/dbraw/zinc/88/82/95/1101888295.db2.gz OERHEONYNRRQEK-TXQWPAICSA-N 0 1 372.060 4.425 20 30 FIEDMN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccncn1 ZINC000760342952 1101927240 /nfs/dbraw/zinc/92/72/40/1101927240.db2.gz AQBDIZXVRZFFBZ-HBMCJLEFSA-N 0 1 369.424 4.036 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000508647917 1101951131 /nfs/dbraw/zinc/95/11/31/1101951131.db2.gz AQIFNKKNFDXZLB-UHFFFAOYSA-N 0 1 350.378 4.349 20 30 FIEDMN CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1CC#N ZINC000475820032 1101957905 /nfs/dbraw/zinc/95/79/05/1101957905.db2.gz TWEAWUOGCLYAHR-UHFFFAOYSA-N 0 1 366.895 4.319 20 30 FIEDMN C=CCCC[C@H](C)NCc1ncc(Br)cc1Br ZINC000398179185 1101975080 /nfs/dbraw/zinc/97/50/80/1101975080.db2.gz NINXPOAALLHEPH-JTQLQIEISA-N 0 1 362.109 4.441 20 30 FIEDMN C=CCOCc1ncn2c1CN([C@@H](C)Cc1ccc(Cl)cc1)CCC2 ZINC001168183258 1102087705 /nfs/dbraw/zinc/08/77/05/1102087705.db2.gz PFIUHJGNPRBUMZ-INIZCTEOSA-N 0 1 359.901 4.076 20 30 FIEDMN N#CC(C(=O)c1cc2c(s1)CCCCCC2)c1nnc2n1CCCCC2 ZINC000060851464 1102160142 /nfs/dbraw/zinc/16/01/42/1102160142.db2.gz BIGUJYDDXJITNL-HNNXBMFYSA-N 0 1 368.506 4.215 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(F)c1 ZINC000532639280 1102634824 /nfs/dbraw/zinc/63/48/24/1102634824.db2.gz GIFGEKNNRUCFME-MRXNPFEDSA-N 0 1 355.482 4.412 20 30 FIEDMN N#Cc1ccc(NC(=O)CCN2CC=C(c3ccccc3Cl)CC2)cc1 ZINC001168251780 1102649647 /nfs/dbraw/zinc/64/96/47/1102649647.db2.gz CUXSASJSTDPAFT-UHFFFAOYSA-N 0 1 365.864 4.330 20 30 FIEDMN COC(=O)c1cc(C)cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000459343588 1102867614 /nfs/dbraw/zinc/86/76/14/1102867614.db2.gz GHRWFHWGKMYWMH-CQSZACIVSA-N 0 1 356.447 4.026 20 30 FIEDMN N#Cc1cnc(N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c(F)c1 ZINC000578845012 1102957968 /nfs/dbraw/zinc/95/79/68/1102957968.db2.gz QDPNKVKMVMLHEU-INIZCTEOSA-N 0 1 355.804 4.354 20 30 FIEDMN N#Cc1ccc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000565514207 1102991080 /nfs/dbraw/zinc/99/10/80/1102991080.db2.gz VVJHEGOYBJNTHU-UHFFFAOYSA-N 0 1 357.782 4.056 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2csc(-c3ccccc3Cl)n2)nc(C)n1 ZINC000067601371 1102995995 /nfs/dbraw/zinc/99/59/95/1102995995.db2.gz ZGLOPLHRFHWFEX-CYBMUJFWSA-N 0 1 368.849 4.360 20 30 FIEDMN C=C(Br)CNCc1ccc(OCc2ccccc2F)cc1 ZINC000729681712 1103037301 /nfs/dbraw/zinc/03/73/01/1103037301.db2.gz IEQZCYROLAELDD-UHFFFAOYSA-N 0 1 350.231 4.403 20 30 FIEDMN C=C(C)[C@H](NC(=O)NCc1nc2ccc(C)cc2[nH]1)c1ccc(F)c(F)c1 ZINC000477069102 1103075265 /nfs/dbraw/zinc/07/52/65/1103075265.db2.gz ASRGTKMGYSFIFH-IBGZPJMESA-N 0 1 370.403 4.266 20 30 FIEDMN C=C(C)[C@@H](NC(=O)NCc1nc2ccc(C)cc2[nH]1)c1ccc(F)c(F)c1 ZINC000477069105 1103075641 /nfs/dbraw/zinc/07/56/41/1103075641.db2.gz ASRGTKMGYSFIFH-LJQANCHMSA-N 0 1 370.403 4.266 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cc(C)ccc2F)no1 ZINC001211975770 1103134564 /nfs/dbraw/zinc/13/45/64/1103134564.db2.gz PNOBHZQUDYNOBA-YJBOKZPZSA-N 0 1 361.461 4.262 20 30 FIEDMN C=CC[C@H](C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1 ZINC000427468449 1103570715 /nfs/dbraw/zinc/57/07/15/1103570715.db2.gz CPTZOGNZAYQFCU-AWEZNQCLSA-N 0 1 352.825 4.424 20 30 FIEDMN N#CC(C(=O)c1csc(C(F)(F)F)n1)c1ccc(C(F)(F)F)cn1 ZINC000551770623 1103609373 /nfs/dbraw/zinc/60/93/73/1103609373.db2.gz DWGYIROPTVGGIV-SSDOTTSWSA-N 0 1 365.258 4.066 20 30 FIEDMN Cc1oc(NC(=O)CN[C@@H](c2ccccc2Cl)C(C)C)c(C#N)c1C ZINC000538187009 1104021330 /nfs/dbraw/zinc/02/13/30/1104021330.db2.gz CVPMQUNENPDIFB-GOSISDBHSA-N 0 1 359.857 4.347 20 30 FIEDMN C[C@H](NCc1ccc(C#N)cc1OC(F)F)c1cccc(-n2cccn2)c1 ZINC000538189533 1104025440 /nfs/dbraw/zinc/02/54/40/1104025440.db2.gz FEOHSPGJSIHJRV-AWEZNQCLSA-N 0 1 368.387 4.196 20 30 FIEDMN C=CCC[C@H](NCC(=O)Nc1nccs1)c1ccc(C(F)(F)F)cc1 ZINC000538232589 1104063649 /nfs/dbraw/zinc/06/36/49/1104063649.db2.gz DYCRJAHQQZKESS-AWEZNQCLSA-N 0 1 369.412 4.398 20 30 FIEDMN Cc1cscc1NC(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000328624961 1104523238 /nfs/dbraw/zinc/52/32/38/1104523238.db2.gz ZXXFJASCAVAAEH-SNVBAGLBSA-N 0 1 358.389 4.224 20 30 FIEDMN O=C(NC1CCN(Cc2ccncc2)CC1)c1coc(C2CCCCC2)n1 ZINC000328688887 1104537569 /nfs/dbraw/zinc/53/75/69/1104537569.db2.gz QEQLMRCDSKZCEG-UHFFFAOYSA-N 0 1 368.481 4.087 20 30 FIEDMN CC[C@@H]1c2ccsc2CCN1C([O-])=[NH+]C[C@H]1CCCn2cc(C)nc21 ZINC000328712361 1104543313 /nfs/dbraw/zinc/54/33/13/1104543313.db2.gz NJUVVLSUEIYPCU-GDBMZVCRSA-N 0 1 358.511 4.054 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)NCC(C)(C)Cc3ccccc3)C2)n[nH]1 ZINC000328735597 1104546095 /nfs/dbraw/zinc/54/60/95/1104546095.db2.gz KSCTVQAPJJCUIX-SFHVURJKSA-N 0 1 354.498 4.080 20 30 FIEDMN O=C(NC1CCN(Cc2cccnc2)CC1)c1coc(C2CCCCC2)n1 ZINC000328748132 1104548874 /nfs/dbraw/zinc/54/88/74/1104548874.db2.gz PLYOICCIZMINGC-UHFFFAOYSA-N 0 1 368.481 4.087 20 30 FIEDMN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@@H]3CCc4[nH]nnc4C3)c2)C1 ZINC000328773645 1104555227 /nfs/dbraw/zinc/55/52/27/1104555227.db2.gz KALQMBQUKOPNCF-KYJSFNMBSA-N 0 1 368.481 4.293 20 30 FIEDMN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@@H]3CCc4nn[nH]c4C3)c2)C1 ZINC000328773645 1104555240 /nfs/dbraw/zinc/55/52/40/1104555240.db2.gz KALQMBQUKOPNCF-KYJSFNMBSA-N 0 1 368.481 4.293 20 30 FIEDMN C[C@H]([NH+]=C([O-])N[C@H]1CCc2ccccc2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000328817069 1104562020 /nfs/dbraw/zinc/56/20/20/1104562020.db2.gz OVYOSPTUQJHRSY-LIRRHRJNSA-N 0 1 363.461 4.343 20 30 FIEDMN C[C@H](NC([O-])=[NH+][C@H]1CCc2ccccc2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000328817069 1104562028 /nfs/dbraw/zinc/56/20/28/1104562028.db2.gz OVYOSPTUQJHRSY-LIRRHRJNSA-N 0 1 363.461 4.343 20 30 FIEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000328931980 1104603515 /nfs/dbraw/zinc/60/35/15/1104603515.db2.gz IDTLMGHLLBYZMM-XVROFUPMSA-N 0 1 367.415 4.372 20 30 FIEDMN N#CC(C(=O)c1ccc(Br)c(F)c1)c1nc2ccccc2o1 ZINC000065652469 1104889895 /nfs/dbraw/zinc/88/98/95/1104889895.db2.gz GRGDPGUGJLSNBB-SNVBAGLBSA-N 0 1 359.154 4.219 20 30 FIEDMN CCN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000056222331 1105031909 /nfs/dbraw/zinc/03/19/09/1105031909.db2.gz KSYBVAVAAYZKAO-CQSZACIVSA-N 0 1 362.408 4.311 20 30 FIEDMN CC[C@H](c1ccc(Br)cc1)N1CCN(CCCCC#N)CC1 ZINC000507849211 1105243725 /nfs/dbraw/zinc/24/37/25/1105243725.db2.gz YGMOLPQIRALULU-GOSISDBHSA-N 0 1 364.331 4.212 20 30 FIEDMN COc1cc(Br)ccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000427844607 1105292778 /nfs/dbraw/zinc/29/27/78/1105292778.db2.gz OGVYJNITWIFIEN-NSHDSACASA-N 0 1 363.230 4.319 20 30 FIEDMN Cc1cc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)ccc1F ZINC000451160458 1106951290 /nfs/dbraw/zinc/95/12/90/1106951290.db2.gz HCEBHBMAWFTJPM-HZPDHXFCSA-N 0 1 371.431 4.259 20 30 FIEDMN CC[C@@H]1CC[C@H](C)N(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000451955024 1107407670 /nfs/dbraw/zinc/40/76/70/1107407670.db2.gz ONKKBLXKNNUHPI-YESZJQIVSA-N 0 1 359.539 4.387 20 30 FIEDMN COc1cccc(CN(Cc2cc(C#N)ccc2F)C2CCC(O)CC2)c1 ZINC000102176288 1107586714 /nfs/dbraw/zinc/58/67/14/1107586714.db2.gz UBOXEFHZWQELJJ-UHFFFAOYSA-N 0 1 368.452 4.012 20 30 FIEDMN N#Cc1ccc2nc(-c3cnn(Cc4ccc(C(F)(F)F)cc4)c3)[nH]c2c1 ZINC000487499600 1107779340 /nfs/dbraw/zinc/77/93/40/1107779340.db2.gz ICACIJUIUBJQFE-UHFFFAOYSA-N 0 1 367.334 4.365 20 30 FIEDMN CC[C@@H](C(=O)Nc1ccc(CC#N)cc1Cl)N(C)Cc1ccccc1 ZINC000452658945 1107877173 /nfs/dbraw/zinc/87/71/73/1107877173.db2.gz YAUSHGZMZJJRNF-IBGZPJMESA-N 0 1 355.869 4.255 20 30 FIEDMN N#Cc1ccnc(N2CCN(Cc3ccc(-c4ccsc4)cc3)CC2)c1 ZINC000444593460 1108004815 /nfs/dbraw/zinc/00/48/15/1108004815.db2.gz FOZQZVAPEUFBPB-UHFFFAOYSA-N 0 1 360.486 4.004 20 30 FIEDMN N#Cc1ccnc(N2CCN(Cc3ccc(-c4cccs4)cc3)CC2)c1 ZINC000444599400 1108026148 /nfs/dbraw/zinc/02/61/48/1108026148.db2.gz TYCIPGOXTQIFHZ-UHFFFAOYSA-N 0 1 360.486 4.004 20 30 FIEDMN N#Cc1ccccc1COc1cccc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000531698603 1108077685 /nfs/dbraw/zinc/07/76/85/1108077685.db2.gz LENDRKJKOZUGJM-NRFANRHFSA-N 0 1 358.445 4.028 20 30 FIEDMN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1CCCCC(C)(C)C#N ZINC000444703914 1108106197 /nfs/dbraw/zinc/10/61/97/1108106197.db2.gz KKTSXPHLFZCPFF-QFIPXVFZSA-N 0 1 356.510 4.347 20 30 FIEDMN COc1ccc(C2(NCc3ccc(C#N)cc3Cl)CCOCC2)cc1F ZINC000444819362 1108210703 /nfs/dbraw/zinc/21/07/03/1108210703.db2.gz SBYNAQHBCCUVNJ-UHFFFAOYSA-N 0 1 374.843 4.155 20 30 FIEDMN C=CCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000428387568 1108378808 /nfs/dbraw/zinc/37/88/08/1108378808.db2.gz GTVOXKLXXAUXPE-UHFFFAOYSA-N 0 1 351.200 4.235 20 30 FIEDMN C[C@H](N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000453274183 1108380865 /nfs/dbraw/zinc/38/08/65/1108380865.db2.gz CUDKFMXQLDUXCA-KPZWWZAWSA-N 0 1 366.358 4.490 20 30 FIEDMN N#CCCN(C(=O)CN1CC[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000523634780 1108400023 /nfs/dbraw/zinc/40/00/23/1108400023.db2.gz SUFKNTJBWJRPGT-SFHVURJKSA-N 0 1 367.880 4.076 20 30 FIEDMN Cc1c(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cnn1-c1ccc(C)cc1 ZINC000524031447 1108762352 /nfs/dbraw/zinc/76/23/52/1108762352.db2.gz DQWSRTDRPLBNRV-QGZVFWFLSA-N 0 1 369.428 4.164 20 30 FIEDMN C=C(C)CCc1noc(-c2[nH]nc(-c3ccccc3)c2Br)n1 ZINC000508616716 1108812433 /nfs/dbraw/zinc/81/24/33/1108812433.db2.gz WBTACFRXPPLEIE-UHFFFAOYSA-N 0 1 359.227 4.398 20 30 FIEDMN COc1cc(CNCc2ccc(OC3CCCC3)c(OC)c2)ccc1C#N ZINC000440810032 1108889102 /nfs/dbraw/zinc/88/91/02/1108889102.db2.gz BYHBTXDTIORSPJ-UHFFFAOYSA-N 0 1 366.461 4.187 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCC2(CCCC2)C1 ZINC000445858262 1109012262 /nfs/dbraw/zinc/01/22/62/1109012262.db2.gz CSHSLPLHBQFLSD-KRWDZBQOSA-N 0 1 357.473 4.117 20 30 FIEDMN CN(Cc1ccc(CC#N)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445897657 1109036260 /nfs/dbraw/zinc/03/62/60/1109036260.db2.gz DCKSNOQKXBJYOL-GOSISDBHSA-N 0 1 371.278 4.471 20 30 FIEDMN COCCN(Cc1ccc(C#N)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC000508577956 1109392940 /nfs/dbraw/zinc/39/29/40/1109392940.db2.gz JWFLBGAPYTYRCQ-UHFFFAOYSA-N 0 1 364.367 4.105 20 30 FIEDMN N#CC1(NC(=O)CN[C@H](c2ccccc2)c2cccc3ccccc32)CCC1 ZINC000525876626 1109542633 /nfs/dbraw/zinc/54/26/33/1109542633.db2.gz VVFROLXUYPAJFD-HSZRJFAPSA-N 0 1 369.468 4.081 20 30 FIEDMN CC[C@@H](N[C@H](CCO)c1ccccc1Br)c1ccc(C#N)cc1 ZINC000447605800 1109600168 /nfs/dbraw/zinc/60/01/68/1109600168.db2.gz KFESFXVICNEOPI-RTBURBONSA-N 0 1 373.294 4.485 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)C3(c4ccc(C#N)cc4)CC3)[nH]c2c1 ZINC000526082211 1109615455 /nfs/dbraw/zinc/61/54/55/1109615455.db2.gz BMCOCLBDAOJDDK-HXUWFJFHSA-N 0 1 370.456 4.138 20 30 FIEDMN C=CCOc1ccc(/C=C\c2nc(-c3ccn4cncc4c3)no2)cc1OC ZINC000447948927 1109679338 /nfs/dbraw/zinc/67/93/38/1109679338.db2.gz SNGDWVUCFLOESJ-ALCCZGGFSA-N 0 1 374.400 4.128 20 30 FIEDMN N#CC1(NC(=O)CN[C@H](c2ccccc2)c2ccc3ccccc3c2)CCC1 ZINC000527118212 1109700198 /nfs/dbraw/zinc/70/01/98/1109700198.db2.gz VDYXSZSODFNKBY-HSZRJFAPSA-N 0 1 369.468 4.081 20 30 FIEDMN CC1(C)Cc2cccc(CNC3(c4ccc(C#N)cc4)CCOCC3)c2O1 ZINC000527811298 1109828002 /nfs/dbraw/zinc/82/80/02/1109828002.db2.gz LSYMAUSBOIPNME-UHFFFAOYSA-N 0 1 362.473 4.067 20 30 FIEDMN N#Cc1ccc(CNCc2ccnc(C(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000449439678 1110079683 /nfs/dbraw/zinc/07/96/83/1110079683.db2.gz WADAKYSYBODSOE-UHFFFAOYSA-N 0 1 359.273 4.281 20 30 FIEDMN CN(C)C[C@@H](NCc1cccc(C#N)c1F)c1ccc(Cl)c(Cl)c1 ZINC000528761831 1110101173 /nfs/dbraw/zinc/10/11/73/1110101173.db2.gz ATTYNZSKDQTBEC-QGZVFWFLSA-N 0 1 366.267 4.397 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cc(OC(F)F)ccc2F)n1 ZINC000528965500 1110163920 /nfs/dbraw/zinc/16/39/20/1110163920.db2.gz CRQNGIMMJPPVIG-NSHDSACASA-N 0 1 354.353 4.497 20 30 FIEDMN Cn1cc(CNCC#Cc2ccc(C(F)(F)F)cc2)c(-c2ccccc2)n1 ZINC000538604389 1111209639 /nfs/dbraw/zinc/20/96/39/1111209639.db2.gz TZOBOGSTVVOCDJ-UHFFFAOYSA-N 0 1 369.390 4.247 20 30 FIEDMN COc1ccccc1COC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000538786896 1111299867 /nfs/dbraw/zinc/29/98/67/1111299867.db2.gz SABAUZPJGDODJQ-UHFFFAOYSA-N 0 1 369.892 4.381 20 30 FIEDMN C[C@H](NCc1cc(C#N)ccc1F)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000539289634 1111503914 /nfs/dbraw/zinc/50/39/14/1111503914.db2.gz OWUAOPYLKQOYBO-HNNXBMFYSA-N 0 1 374.419 4.195 20 30 FIEDMN C=CCCCN[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000462170116 1111520997 /nfs/dbraw/zinc/52/09/97/1111520997.db2.gz JQGLVNTXRVYIMK-LJQANCHMSA-N 0 1 365.445 4.014 20 30 FIEDMN C=C(C)CN(C/C(C)=C\c1ccccc1COC)Cc1ccc(CO)o1 ZINC000552243949 1111634926 /nfs/dbraw/zinc/63/49/26/1111634926.db2.gz POVJUXQVOUHNMU-WQRHYEAKSA-N 0 1 355.478 4.400 20 30 FIEDMN C=CCC1(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)CCC1 ZINC000478691128 1111851880 /nfs/dbraw/zinc/85/18/80/1111851880.db2.gz ZISQLNXZZQXHIQ-UHFFFAOYSA-N 0 1 369.509 4.186 20 30 FIEDMN Cc1sc(NC(=O)CN(C2CC2)[C@H]2CCc3ccccc32)c(C#N)c1C ZINC000478973262 1111924469 /nfs/dbraw/zinc/92/44/69/1111924469.db2.gz SSDBIBLUZYQALP-IBGZPJMESA-N 0 1 365.502 4.327 20 30 FIEDMN C[C@H](CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000479240505 1111972114 /nfs/dbraw/zinc/97/21/14/1111972114.db2.gz GXSIOLDWUTXTBQ-LJQANCHMSA-N 0 1 367.537 4.267 20 30 FIEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000481311594 1112884802 /nfs/dbraw/zinc/88/48/02/1112884802.db2.gz HAERGCAXVABDNC-UHFFFAOYSA-N 0 1 369.384 4.183 20 30 FIEDMN N#Cc1ccc(CN2CCC(COc3ccccc3C(F)(F)F)CC2)o1 ZINC000482299262 1113220216 /nfs/dbraw/zinc/22/02/16/1113220216.db2.gz RGLUFBMTERMNAL-UHFFFAOYSA-N 0 1 364.367 4.461 20 30 FIEDMN Cc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1CCC(C)C ZINC000160068868 1113288162 /nfs/dbraw/zinc/28/81/62/1113288162.db2.gz XKVBQTZHEGQCJT-CQSZACIVSA-N 0 1 364.371 4.142 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1CCC(C)C ZINC000160068868 1113288164 /nfs/dbraw/zinc/28/81/64/1113288164.db2.gz XKVBQTZHEGQCJT-CQSZACIVSA-N 0 1 364.371 4.142 20 30 FIEDMN CCCOc1nc(C)ccc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000482587715 1113303658 /nfs/dbraw/zinc/30/36/58/1113303658.db2.gz XBYVOQNKGDMWIZ-CQSZACIVSA-N 0 1 363.339 4.083 20 30 FIEDMN CCCOc1nc(C)ccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000482587715 1113303662 /nfs/dbraw/zinc/30/36/62/1113303662.db2.gz XBYVOQNKGDMWIZ-CQSZACIVSA-N 0 1 363.339 4.083 20 30 FIEDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000482857061 1113382407 /nfs/dbraw/zinc/38/24/07/1113382407.db2.gz LNFVASYFZUANHI-OAHLLOKOSA-N 0 1 351.406 4.071 20 30 FIEDMN COc1cc(OC2CC2)ccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000482858079 1113382925 /nfs/dbraw/zinc/38/29/25/1113382925.db2.gz NUBOBHHWXBBFMC-OAHLLOKOSA-N 0 1 356.447 4.306 20 30 FIEDMN Cc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc1C ZINC000128761181 1113401044 /nfs/dbraw/zinc/40/10/44/1113401044.db2.gz YETGNJGOOOMZGY-ZDUSSCGKSA-N 0 1 351.189 4.164 20 30 FIEDMN Cc1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc1C ZINC000128761181 1113401045 /nfs/dbraw/zinc/40/10/45/1113401045.db2.gz YETGNJGOOOMZGY-ZDUSSCGKSA-N 0 1 351.189 4.164 20 30 FIEDMN COc1ccc(CN(CC#Cc2ccc(F)cc2)CCc2ccccn2)cc1 ZINC000483073317 1113435048 /nfs/dbraw/zinc/43/50/48/1113435048.db2.gz XRUOYDHZRICFIQ-UHFFFAOYSA-N 0 1 374.459 4.326 20 30 FIEDMN CN(C)c1cc(C(=O)C(C#N)c2nccc3ccccc32)c2ccccc2n1 ZINC000483210999 1113466084 /nfs/dbraw/zinc/46/60/84/1113466084.db2.gz FRMSJFZZSBEYOU-LJQANCHMSA-N 0 1 366.424 4.339 20 30 FIEDMN N#C[C@@H](C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nccc2ccccc21 ZINC000483243801 1113470634 /nfs/dbraw/zinc/47/06/34/1113470634.db2.gz YNHPNZDBZVXIPL-OAHLLOKOSA-N 0 1 374.350 4.189 20 30 FIEDMN N#CC(C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nccc2ccccc21 ZINC000483243801 1113470638 /nfs/dbraw/zinc/47/06/38/1113470638.db2.gz YNHPNZDBZVXIPL-OAHLLOKOSA-N 0 1 374.350 4.189 20 30 FIEDMN O=C(Nc1ccccc1C#Cc1ccccc1)N[C@H]1CCCc2cn[nH]c21 ZINC000483313811 1113485122 /nfs/dbraw/zinc/48/51/22/1113485122.db2.gz CBDIGIKWDPJUDO-FQEVSTJZSA-N 0 1 356.429 4.009 20 30 FIEDMN N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)s1 ZINC000486621713 1113606850 /nfs/dbraw/zinc/60/68/50/1113606850.db2.gz VNGZLYXGUIMTMQ-IBGZPJMESA-N 0 1 358.426 4.015 20 30 FIEDMN N#Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)s1 ZINC000486621714 1113606874 /nfs/dbraw/zinc/60/68/74/1113606874.db2.gz VNGZLYXGUIMTMQ-LJQANCHMSA-N 0 1 358.426 4.015 20 30 FIEDMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000613252335 1113617865 /nfs/dbraw/zinc/61/78/65/1113617865.db2.gz VZPQNNWZJKRFNJ-IKGGRYGDSA-N 0 1 372.488 4.133 20 30 FIEDMN Cc1nc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)[nH]c1-c1ccccc1 ZINC000488219157 1113880221 /nfs/dbraw/zinc/88/02/21/1113880221.db2.gz RDMHABSOUYTLAO-AWEZNQCLSA-N 0 1 362.458 4.376 20 30 FIEDMN CCN(Cc1ccc2ccccc2c1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488766653 1113991515 /nfs/dbraw/zinc/99/15/15/1113991515.db2.gz VSYUQNRGBNZRTJ-VGOFRKELSA-N 0 1 351.494 4.105 20 30 FIEDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000489126024 1114053225 /nfs/dbraw/zinc/05/32/25/1114053225.db2.gz BAOWJKAREORDJU-INIZCTEOSA-N 0 1 365.433 4.379 20 30 FIEDMN CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000490205743 1114231947 /nfs/dbraw/zinc/23/19/47/1114231947.db2.gz VDPTVLVERHZQIS-OAQYLSRUSA-N 0 1 360.461 4.144 20 30 FIEDMN CCn1c2ccccc2nc1[C@H]1CCCN1CCOc1cccc(C#N)c1 ZINC000490205743 1114231952 /nfs/dbraw/zinc/23/19/52/1114231952.db2.gz VDPTVLVERHZQIS-OAQYLSRUSA-N 0 1 360.461 4.144 20 30 FIEDMN Clc1nc(Nc2ccccc2Cl)sc1CN=Nc1cnccn1 ZINC000912961320 1114263139 /nfs/dbraw/zinc/26/31/39/1114263139.db2.gz GPONVUONYHIZOV-UHFFFAOYSA-N 0 1 365.249 4.430 20 30 FIEDMN Clc1nc(Nc2ccccc2Cl)sc1C=NNc1cnccn1 ZINC000912961320 1114263144 /nfs/dbraw/zinc/26/31/44/1114263144.db2.gz GPONVUONYHIZOV-UHFFFAOYSA-N 0 1 365.249 4.430 20 30 FIEDMN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000029781167 1114378300 /nfs/dbraw/zinc/37/83/00/1114378300.db2.gz TVGYMKMSKPQLKU-ZDUSSCGKSA-N 0 1 362.433 4.138 20 30 FIEDMN N#Cc1cccc(Cl)c1N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000571268303 1114452258 /nfs/dbraw/zinc/45/22/58/1114452258.db2.gz OMCSMTISWHMTCP-LLVKDONJSA-N 0 1 354.763 4.338 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(-n2cccn2)c(F)c1 ZINC000571574417 1114478293 /nfs/dbraw/zinc/47/82/93/1114478293.db2.gz XPGJDDNSUXWWSJ-KBPBESRZSA-N 0 1 352.388 4.434 20 30 FIEDMN Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)c(OC[C@H]2CCCO2)c1 ZINC000572083246 1114597173 /nfs/dbraw/zinc/59/71/73/1114597173.db2.gz ICKYDUSKVXSQGI-IFMALSPDSA-N 0 1 362.473 4.202 20 30 FIEDMN Cn1c(Cc2cccs2)nc2cc(C(=O)C(C#N)c3ccccn3)ccc21 ZINC000572126054 1114610959 /nfs/dbraw/zinc/61/09/59/1114610959.db2.gz UGZJAEQICDJXIF-MRXNPFEDSA-N 0 1 372.453 4.111 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000588977616 1114684243 /nfs/dbraw/zinc/68/42/43/1114684243.db2.gz DRVFGWDFWLEHPR-NVXWUHKLSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000588977616 1114684245 /nfs/dbraw/zinc/68/42/45/1114684245.db2.gz DRVFGWDFWLEHPR-NVXWUHKLSA-N 0 1 357.523 4.141 20 30 FIEDMN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(Br)s1 ZINC000588980507 1114684761 /nfs/dbraw/zinc/68/47/61/1114684761.db2.gz PNEQBDAQAXYMSJ-UHFFFAOYSA-N 0 1 365.296 4.031 20 30 FIEDMN N#CCCCCCc1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1 ZINC000589739430 1114836995 /nfs/dbraw/zinc/83/69/95/1114836995.db2.gz KDCHEYABDCBCAH-UHFFFAOYSA-N 0 1 364.434 4.363 20 30 FIEDMN N#CCn1c(C(O)=C(C#N)c2nc3ccccc3s2)cc2ccccc21 ZINC000591862598 1115166030 /nfs/dbraw/zinc/16/60/30/1115166030.db2.gz XRDMOQGCTGEPAM-CQSZACIVSA-N 0 1 356.410 4.265 20 30 FIEDMN N#C[C@H](C(=O)c1ccccc1-n1cccn1)c1nc2cc(F)ccc2s1 ZINC000592974383 1115272861 /nfs/dbraw/zinc/27/28/61/1115272861.db2.gz RMUJLROXNXXONW-CQSZACIVSA-N 0 1 362.389 4.111 20 30 FIEDMN N#CC(C(=O)c1ccccc1-n1cccn1)c1nc2cc(F)ccc2s1 ZINC000592974383 1115272862 /nfs/dbraw/zinc/27/28/62/1115272862.db2.gz RMUJLROXNXXONW-CQSZACIVSA-N 0 1 362.389 4.111 20 30 FIEDMN CCCOc1ccccc1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593191717 1115304948 /nfs/dbraw/zinc/30/49/48/1115304948.db2.gz FALGEZYNZYZYDR-UHFFFAOYSA-N 0 1 358.463 4.077 20 30 FIEDMN Cc1cc(C(C#N)C(=O)CCCc2cccc(Br)c2)nc(C)n1 ZINC000761025390 1115331097 /nfs/dbraw/zinc/33/10/97/1115331097.db2.gz GTVIJVSWERFPRB-MRXNPFEDSA-N 0 1 372.266 4.055 20 30 FIEDMN N#CCCCOc1cccc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593656177 1115338033 /nfs/dbraw/zinc/33/80/33/1115338033.db2.gz BOQSJDBOZGBSMD-UHFFFAOYSA-N 0 1 356.363 4.236 20 30 FIEDMN CC(C)(C#N)c1ccc(CN[C@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000594500039 1115451082 /nfs/dbraw/zinc/45/10/82/1115451082.db2.gz GUOUSJUZJDQZGA-SFHVURJKSA-N 0 1 367.880 4.036 20 30 FIEDMN N#Cc1ccc(C2(NCc3cc4c(cc3OC(F)F)OCO4)CCC2)cc1 ZINC000594520429 1115459069 /nfs/dbraw/zinc/45/90/69/1115459069.db2.gz PLLOZPVYFXGASC-UHFFFAOYSA-N 0 1 372.371 4.057 20 30 FIEDMN N#CC1(c2ccc(CN[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2)CC1 ZINC000594918815 1115489723 /nfs/dbraw/zinc/48/97/23/1115489723.db2.gz SRPCDAJCALGHOY-RTWAWAEBSA-N 0 1 350.437 4.391 20 30 FIEDMN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc(Br)cn1 ZINC000594938106 1115501041 /nfs/dbraw/zinc/50/10/41/1115501041.db2.gz SHMAQLPYSHCXNQ-ZDUSSCGKSA-N 0 1 356.267 4.250 20 30 FIEDMN C[C@H](NCC1(C#N)CCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000595090636 1115517594 /nfs/dbraw/zinc/51/75/94/1115517594.db2.gz JVVGAPAOQLXKTM-KRWDZBQOSA-N 0 1 352.482 4.124 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cccc(C3CCCC3)c2)n1 ZINC000595240575 1115521199 /nfs/dbraw/zinc/52/11/99/1115521199.db2.gz IDOYZHHMRRTQDH-INIZCTEOSA-N 0 1 368.458 4.467 20 30 FIEDMN COC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cccc(OC)c1 ZINC000595683314 1115554581 /nfs/dbraw/zinc/55/45/81/1115554581.db2.gz GMGYPCFSLMWWOX-GOSISDBHSA-N 0 1 364.367 4.063 20 30 FIEDMN CN(CCCC1(C#N)CCOCC1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595748700 1115561034 /nfs/dbraw/zinc/56/10/34/1115561034.db2.gz KDBLEFMBWOYRMK-MRXNPFEDSA-N 0 1 371.308 4.059 20 30 FIEDMN N#CC1(c2ccc(CN[C@@H]3CCc4ccccc4-n4ccnc43)cc2)CC1 ZINC000596060101 1115572508 /nfs/dbraw/zinc/57/25/08/1115572508.db2.gz CDACQMCUBBXSEE-HXUWFJFHSA-N 0 1 354.457 4.205 20 30 FIEDMN C[C@@H]1C[C@@H](N(C)c2nc(C#N)c(Cl)s2)CC[N@H+]1Cc1ccccc1 ZINC000596135116 1115575146 /nfs/dbraw/zinc/57/51/46/1115575146.db2.gz RTZBIWCNIOGZOS-HIFRSBDPSA-N 0 1 360.914 4.157 20 30 FIEDMN N#Cc1cccc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000060481936 1115645697 /nfs/dbraw/zinc/64/56/97/1115645697.db2.gz VBKJHDDUOFNOAB-UHFFFAOYSA-N 0 1 368.864 4.185 20 30 FIEDMN COc1ccc(C(=O)Nc2cccc(CN3CCC[C@H](CC#N)C3)c2)cc1 ZINC000597174642 1115646795 /nfs/dbraw/zinc/64/67/95/1115646795.db2.gz SLLOXEHUMVLEJG-QGZVFWFLSA-N 0 1 363.461 4.073 20 30 FIEDMN COc1ccc(CN2CCC(c3ccco3)CC2)cc1OCCCC#N ZINC000597178071 1115646998 /nfs/dbraw/zinc/64/69/98/1115646998.db2.gz ACXWFNUXJLMEDG-UHFFFAOYSA-N 0 1 354.450 4.350 20 30 FIEDMN CC1(C)CCCC[C@H]1CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593352923 1115665590 /nfs/dbraw/zinc/66/55/90/1115665590.db2.gz HSBLCFUNEVLULB-FQEVSTJZSA-N 0 1 367.537 4.245 20 30 FIEDMN CCC[C@@H](NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C(C)(C)C ZINC000593412336 1115683906 /nfs/dbraw/zinc/68/39/06/1115683906.db2.gz NHNJTPRVQLRSQR-HXUWFJFHSA-N 0 1 370.541 4.037 20 30 FIEDMN N#Cc1ccc(C2CCN(Cc3ccc(-c4ncco4)cc3F)CC2)nc1 ZINC000602907767 1115731698 /nfs/dbraw/zinc/73/16/98/1115731698.db2.gz VSKXEBLPHSRHNA-UHFFFAOYSA-N 0 1 362.408 4.127 20 30 FIEDMN CCOc1ncccc1CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000060975303 1115740532 /nfs/dbraw/zinc/74/05/32/1115740532.db2.gz UOATUEHEYQHWLX-UHFFFAOYSA-N 0 1 373.456 4.221 20 30 FIEDMN CCCC[C@@H](C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C(C)C ZINC000598743112 1115749674 /nfs/dbraw/zinc/74/96/74/1115749674.db2.gz XNFAGZALOVCZEE-OAQYLSRUSA-N 0 1 355.526 4.101 20 30 FIEDMN Cc1cc(CN2CCO[C@H](c3cccc(C#N)c3)C2)c(O)c(C(C)(C)C)c1 ZINC000761298830 1115769264 /nfs/dbraw/zinc/76/92/64/1115769264.db2.gz LUUGWQHDHIGNDL-NRFANRHFSA-N 0 1 364.489 4.443 20 30 FIEDMN C[C@@H]1CN(Cc2ccc(CNc3cccc(Cl)c3C#N)cc2)C[C@H](C)O1 ZINC000603852065 1115821446 /nfs/dbraw/zinc/82/14/46/1115821446.db2.gz IISQONIBYHORJB-IYBDPMFKSA-N 0 1 369.896 4.433 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)CC(C)C)cc1Cl ZINC000171037018 1115822919 /nfs/dbraw/zinc/82/29/19/1115822919.db2.gz PYQQHMPMYOTWLD-GXTWGEPZSA-N 0 1 350.846 4.068 20 30 FIEDMN CC(C)(NCCC(=O)Nc1ccccc1C#N)c1nc2ccccc2s1 ZINC000599532918 1115823920 /nfs/dbraw/zinc/82/39/20/1115823920.db2.gz CFDPFGKMKQSIFA-UHFFFAOYSA-N 0 1 364.474 4.021 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC2(CC2)CC1 ZINC000599673107 1115834999 /nfs/dbraw/zinc/83/49/99/1115834999.db2.gz MLCMNMYEYIPJER-MRXNPFEDSA-N 0 1 357.523 4.143 20 30 FIEDMN N#Cc1ccc(NC(=O)CCN(Cc2ccco2)Cc2ccccc2)cc1 ZINC000604434700 1115865228 /nfs/dbraw/zinc/86/52/28/1115865228.db2.gz RBNLBVFDKOWUEE-UHFFFAOYSA-N 0 1 359.429 4.182 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)[nH]c21 ZINC000605363198 1115891127 /nfs/dbraw/zinc/89/11/27/1115891127.db2.gz OIYNYDIPGUWWIZ-CQSZACIVSA-N 0 1 363.465 4.436 20 30 FIEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000593968198 1115940473 /nfs/dbraw/zinc/94/04/73/1115940473.db2.gz JNDBHWVPISQOJB-VBKZILBWSA-N 0 1 374.444 4.103 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H]2CCOc3cc(OC)ccc32)ccc1OC ZINC000608063475 1116080136 /nfs/dbraw/zinc/08/01/36/1116080136.db2.gz OZAGFSWJPVUODI-LJQANCHMSA-N 0 1 369.461 4.272 20 30 FIEDMN CC(C)N(CC(=O)N(C)[C@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000063750807 1116105835 /nfs/dbraw/zinc/10/58/35/1116105835.db2.gz RIWBBJUNRJUWMR-QGZVFWFLSA-N 0 1 367.468 4.127 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(CCCCC2)CC1 ZINC000608833375 1116130807 /nfs/dbraw/zinc/13/08/07/1116130807.db2.gz RXEOWIINVYPRPW-IBGZPJMESA-N 0 1 353.510 4.368 20 30 FIEDMN CC(C)CCN1Cc2cccc(NC(=O)CCc3ccc(C#N)cc3)c2C1 ZINC000609063447 1116177181 /nfs/dbraw/zinc/17/71/81/1116177181.db2.gz JNWGPBCWEAYZNW-UHFFFAOYSA-N 0 1 361.489 4.491 20 30 FIEDMN CN(CCCc1ccccc1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000534600785 1116216426 /nfs/dbraw/zinc/21/64/26/1116216426.db2.gz VFLJZRWEYRRTKY-UHFFFAOYSA-N 0 1 359.473 4.302 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)c1ccc(CC#N)cc1)c1ccccc1Cl ZINC000535334108 1116295525 /nfs/dbraw/zinc/29/55/25/1116295525.db2.gz UTSIYYNCRQCGSX-HXUWFJFHSA-N 0 1 369.896 4.219 20 30 FIEDMN CCCN(C(=O)c1cscc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000460087110 1116362092 /nfs/dbraw/zinc/36/20/92/1116362092.db2.gz ZHZWAZBHORAQDW-LJQANCHMSA-N 0 1 367.518 4.137 20 30 FIEDMN C=CCOc1cccc(CN[C@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000462727247 1116396120 /nfs/dbraw/zinc/39/61/20/1116396120.db2.gz BZMYEHMHNMJDKI-IBGZPJMESA-N 0 1 370.880 4.190 20 30 FIEDMN C=CCN(C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)C1CC1 ZINC000540112184 1117880800 /nfs/dbraw/zinc/88/08/00/1117880800.db2.gz CQAUOFMREVDAQB-UHFFFAOYSA-N 0 1 374.313 4.399 20 30 FIEDMN C#CCC1(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC001127244633 1118058701 /nfs/dbraw/zinc/05/87/01/1118058701.db2.gz FWFNFTGOHUDMEJ-WOJBJXKFSA-N 0 1 352.522 4.082 20 30 FIEDMN Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c(OC[C@@H]2CCCO2)c1 ZINC000540708303 1118195818 /nfs/dbraw/zinc/19/58/18/1118195818.db2.gz RQEKHJXUUTYRBD-UZLBHIALSA-N 0 1 368.452 4.414 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)c(C#N)c3)[nH]c2c1 ZINC000609123331 1118402457 /nfs/dbraw/zinc/40/24/57/1118402457.db2.gz MXYYEKQMUDDGFK-SFHVURJKSA-N 0 1 363.396 4.251 20 30 FIEDMN CCc1[nH+]c2ccc(Cl)cn2c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000464182427 1118474783 /nfs/dbraw/zinc/47/47/83/1118474783.db2.gz IEYFYZKOPBPLNV-LBPRGKRZSA-N 0 1 364.792 4.181 20 30 FIEDMN N#Cc1cc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)ccc1Cl ZINC000541609964 1118579660 /nfs/dbraw/zinc/57/96/60/1118579660.db2.gz BOGULOPINASJPV-QGZVFWFLSA-N 0 1 366.808 4.192 20 30 FIEDMN C=CCc1ccccc1OC[C@H](O)CN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000541653170 1118598058 /nfs/dbraw/zinc/59/80/58/1118598058.db2.gz JKERYSZCEQHAGG-NVXWUHKLSA-N 0 1 374.550 4.260 20 30 FIEDMN CCC[C@]1(C)CCCN(CC(=O)N(CCC#N)c2ccc(OCC)cc2)C1 ZINC000464845437 1118720096 /nfs/dbraw/zinc/72/00/96/1118720096.db2.gz FVRCACWWZHRYBZ-JOCHJYFZSA-N 0 1 371.525 4.234 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](c3ccccc3)C2)c1 ZINC000302952260 1118726729 /nfs/dbraw/zinc/72/67/29/1118726729.db2.gz DNNKXGNADLURKN-OAQYLSRUSA-N 0 1 361.489 4.040 20 30 FIEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000464940153 1118765156 /nfs/dbraw/zinc/76/51/56/1118765156.db2.gz PHHGZBLCYKQQIX-MAUKXSAKSA-N 0 1 362.458 4.050 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccnn3C(C)C)n2)cc1 ZINC000151656758 1118954073 /nfs/dbraw/zinc/95/40/73/1118954073.db2.gz JCAFPEJFNGFPFL-HNNXBMFYSA-N 0 1 366.446 4.086 20 30 FIEDMN CC(=NNc1c(Br)cccc1Br)c1ccc[nH]1 ZINC000800818693 1119031581 /nfs/dbraw/zinc/03/15/81/1119031581.db2.gz KWUFUDUQYLUOOD-UHFFFAOYSA-N 0 1 357.049 4.376 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)n1 ZINC000613286810 1119118628 /nfs/dbraw/zinc/11/86/28/1119118628.db2.gz UZTNJJXKXXBHTJ-WMLDXEAASA-N 0 1 363.442 4.477 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)n1 ZINC000613286810 1119118631 /nfs/dbraw/zinc/11/86/31/1119118631.db2.gz UZTNJJXKXXBHTJ-WMLDXEAASA-N 0 1 363.442 4.477 20 30 FIEDMN CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C#N)ccc2Br)C1 ZINC000492765801 1119182721 /nfs/dbraw/zinc/18/27/21/1119182721.db2.gz FERYVJGKFDTMJS-HUUCEWRRSA-N 0 1 353.329 4.427 20 30 FIEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H]1CCCCC1(C)C ZINC000152340279 1119212521 /nfs/dbraw/zinc/21/25/21/1119212521.db2.gz IQILRVHYVAMIAH-HOTGVXAUSA-N 0 1 356.466 4.339 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000176517242 1119280240 /nfs/dbraw/zinc/28/02/40/1119280240.db2.gz JCDXBBCCFILOGY-OAHLLOKOSA-N 0 1 357.369 4.449 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000176517242 1119280244 /nfs/dbraw/zinc/28/02/44/1119280244.db2.gz JCDXBBCCFILOGY-OAHLLOKOSA-N 0 1 357.369 4.449 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)n1 ZINC000177751110 1119349285 /nfs/dbraw/zinc/34/92/85/1119349285.db2.gz JBOMVXPAFMHVCB-CMPLNLGQSA-N 0 1 371.487 4.189 20 30 FIEDMN CCn1cc(Br)cc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177773807 1119350022 /nfs/dbraw/zinc/35/00/22/1119350022.db2.gz WSHCRMCYRQNILP-LLVKDONJSA-N 0 1 366.284 4.340 20 30 FIEDMN O=[N+]([O-])c1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000761531206 1119411229 /nfs/dbraw/zinc/41/12/29/1119411229.db2.gz FDLFHDPINXLRAR-UHFFFAOYSA-N 0 1 368.742 4.408 20 30 FIEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000152530936 1119436665 /nfs/dbraw/zinc/43/66/65/1119436665.db2.gz AUGVQERQXWJMKK-OAHLLOKOSA-N 0 1 371.506 4.225 20 30 FIEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000152530823 1119436844 /nfs/dbraw/zinc/43/68/44/1119436844.db2.gz AUGVQERQXWJMKK-HNNXBMFYSA-N 0 1 371.506 4.225 20 30 FIEDMN C=CC[C@@H](C)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000494028827 1119527369 /nfs/dbraw/zinc/52/73/69/1119527369.db2.gz NGZXPTFJWXTUIV-YJYMSZOUSA-N 0 1 365.445 4.012 20 30 FIEDMN C=CC[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1C)c1ccccc1 ZINC000186176846 1119711498 /nfs/dbraw/zinc/71/14/98/1119711498.db2.gz NNSVHYRSPIMVHT-NRFANRHFSA-N 0 1 363.505 4.045 20 30 FIEDMN C=CCOc1ccc(CN2CCSC3(CCOCC3)C2)cc1Cl ZINC000186492923 1119733078 /nfs/dbraw/zinc/73/30/78/1119733078.db2.gz QBKISXQIEBUWNE-UHFFFAOYSA-N 0 1 353.915 4.003 20 30 FIEDMN C=CCN1CCC(Nc2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1 ZINC000188814150 1119796703 /nfs/dbraw/zinc/79/67/03/1119796703.db2.gz XWKLVVDJIKQUDW-UHFFFAOYSA-N 0 1 373.913 4.174 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000191467709 1119978799 /nfs/dbraw/zinc/97/87/99/1119978799.db2.gz JGHZWWAFODMCHL-HDICACEKSA-N 0 1 373.541 4.159 20 30 FIEDMN CCCO[C@@H]1CCCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191788473 1119996002 /nfs/dbraw/zinc/99/60/02/1119996002.db2.gz IGCLWBYGGWUAPN-MRXNPFEDSA-N 0 1 351.288 4.102 20 30 FIEDMN C=C(C)COc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000195322355 1120144853 /nfs/dbraw/zinc/14/48/53/1120144853.db2.gz ZKKMRZQLPDPGSU-OAHLLOKOSA-N 0 1 356.422 4.409 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N(CC#N)c2ccccc2)c1 ZINC000195331577 1120146269 /nfs/dbraw/zinc/14/62/69/1120146269.db2.gz QBESCMPAGUSCQE-UHFFFAOYSA-N 0 1 369.468 4.489 20 30 FIEDMN CN(C)[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 ZINC000193728769 1120182173 /nfs/dbraw/zinc/18/21/73/1120182173.db2.gz BEJDLIQKZDPUJN-LJQANCHMSA-N 0 1 368.456 4.051 20 30 FIEDMN CCc1ccc(C#CC(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC001168469741 1120248020 /nfs/dbraw/zinc/24/80/20/1120248020.db2.gz OIBGYVVRIQQHRU-CYBMUJFWSA-N 0 1 351.837 4.008 20 30 FIEDMN CN(C)[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc(F)c1 ZINC000193056263 1120331958 /nfs/dbraw/zinc/33/19/58/1120331958.db2.gz XUSFJDFTBHMRAJ-LJQANCHMSA-N 0 1 368.456 4.051 20 30 FIEDMN C=CCC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)c1ccccc1 ZINC000494902058 1120364181 /nfs/dbraw/zinc/36/41/81/1120364181.db2.gz BZASNLXDLHLIFR-VXKWHMMOSA-N 0 1 366.505 4.164 20 30 FIEDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cnc(C2CC2)s1 ZINC000761792939 1120430627 /nfs/dbraw/zinc/43/06/27/1120430627.db2.gz IYRZKJMSPVCRBP-UHFFFAOYSA-N 0 1 356.329 4.394 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN[C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000495078169 1120462407 /nfs/dbraw/zinc/46/24/07/1120462407.db2.gz IJCGLUJAZKHUKP-KRWDZBQOSA-N 0 1 362.399 4.086 20 30 FIEDMN Cc1c([C@@H](C)NCC#Cc2ccc(F)cc2)cnn1-c1ccc(F)cc1 ZINC000542543759 1120555614 /nfs/dbraw/zinc/55/56/14/1120555614.db2.gz FRMLQBUEQMHOSF-OAHLLOKOSA-N 0 1 351.400 4.161 20 30 FIEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000762033053 1120662592 /nfs/dbraw/zinc/66/25/92/1120662592.db2.gz YJFZRQPREMQSNG-FZMZJTMJSA-N 0 1 350.846 4.068 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@]3(CC=CCC3)C2)c1C ZINC000303635521 1120780663 /nfs/dbraw/zinc/78/06/63/1120780663.db2.gz ZOZXXMRENWYIBN-HSZRJFAPSA-N 0 1 365.521 4.372 20 30 FIEDMN Cc1cc(OCC(=O)C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)no1 ZINC000915102338 1120811709 /nfs/dbraw/zinc/81/17/09/1120811709.db2.gz XIUBZINQHRHTSW-ZDUSSCGKSA-N 0 1 373.821 4.015 20 30 FIEDMN C=CCOc1ccc(CNCc2cc(Br)ccc2OC)cc1 ZINC000237138231 1120973584 /nfs/dbraw/zinc/97/35/84/1120973584.db2.gz GXZUYLNMHCKCTC-UHFFFAOYSA-N 0 1 362.267 4.312 20 30 FIEDMN N#CC(C(=O)[C@@H]1CCCN1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000763041403 1121096884 /nfs/dbraw/zinc/09/68/84/1121096884.db2.gz MUVJQRBVZGRXND-UGKGYDQZSA-N 0 1 355.441 4.076 20 30 FIEDMN N#Cc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1Cl ZINC000194106799 1121212000 /nfs/dbraw/zinc/21/20/00/1121212000.db2.gz ZZRPNARQIQWQRL-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN Cn1c(N=NC=CC2N(C)c3ccccc3C2(C)C)nnc1-c1ccccc1 ZINC000915968774 1121356912 /nfs/dbraw/zinc/35/69/12/1121356912.db2.gz XCVIGJGBPTZZBK-NPMICWIVSA-N 0 1 372.476 4.191 20 30 FIEDMN CCOc1cccc(C=NNc2nc3ccccc3n2C)c1OC(F)F ZINC000915967975 1121357900 /nfs/dbraw/zinc/35/79/00/1121357900.db2.gz QGIXINBIZGXDEE-UHFFFAOYSA-N 0 1 360.364 4.019 20 30 FIEDMN O=[N+]([O-])c1ccc(-c2ccc(C=NNc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000916249890 1121457132 /nfs/dbraw/zinc/45/71/32/1121457132.db2.gz AWSRMCFBBZMMHT-UHFFFAOYSA-N 0 1 352.306 4.209 20 30 FIEDMN Cc1sc2ncnc(N=NCc3cc([N+](=O)[O-])ccc3Cl)c2c1C ZINC000916307574 1121468839 /nfs/dbraw/zinc/46/88/39/1121468839.db2.gz IHXFKGWVCDYRFO-UHFFFAOYSA-N 0 1 361.814 4.316 20 30 FIEDMN O=[N+]([O-])c1cccc(-c2ccc(C=NN=c3nc[nH]c4sccc43)o2)c1 ZINC000916368363 1121482554 /nfs/dbraw/zinc/48/25/54/1121482554.db2.gz NDQPHHNUOGJCTA-UHFFFAOYSA-N 0 1 365.374 4.306 20 30 FIEDMN CC(C)CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000108358187 1121532449 /nfs/dbraw/zinc/53/24/49/1121532449.db2.gz SAXBVFUJMBRMPJ-INIZCTEOSA-N 0 1 359.539 4.387 20 30 FIEDMN CC(C)[C@](C)(C#N)NC(=O)CN([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000063576966 1121700983 /nfs/dbraw/zinc/70/09/83/1121700983.db2.gz JAQFJPUIARPTIJ-SBUREZEXSA-N 0 1 363.505 4.420 20 30 FIEDMN CCCCCNC(=O)C(C#N)C(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000916878362 1121907399 /nfs/dbraw/zinc/90/73/99/1121907399.db2.gz SHGFWXQWFYDJMB-QGZVFWFLSA-N 0 1 360.523 4.091 20 30 FIEDMN Cc1cccc(NC(=O)C(C#N)C(=O)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000916897956 1121913007 /nfs/dbraw/zinc/91/30/07/1121913007.db2.gz SGZCSNDVWWDYOA-QPRVAFDKSA-N 0 1 350.462 4.249 20 30 FIEDMN CCc1nn(C)c(CC)c1CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000091068182 1122120624 /nfs/dbraw/zinc/12/06/24/1122120624.db2.gz ZBVFESMKHBHFSZ-UHFFFAOYSA-N 0 1 358.489 4.373 20 30 FIEDMN C=C[C@@H](CC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000128114224 1122193044 /nfs/dbraw/zinc/19/30/44/1122193044.db2.gz YGJJAARBLZKXCH-FXAWDEMLSA-N 0 1 372.472 4.495 20 30 FIEDMN C=C[C@@H](CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000128114224 1122193046 /nfs/dbraw/zinc/19/30/46/1122193046.db2.gz YGJJAARBLZKXCH-FXAWDEMLSA-N 0 1 372.472 4.495 20 30 FIEDMN CO[C@H](C(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CC1 ZINC000796649888 1122198015 /nfs/dbraw/zinc/19/80/15/1122198015.db2.gz KDJJNZKQFLFORR-UCDPQDAJSA-N 0 1 370.518 4.212 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(F)c3ccccc3c2)n1 ZINC000497415171 1122215479 /nfs/dbraw/zinc/21/54/79/1122215479.db2.gz GUVJLVHYLIVZTQ-AWEZNQCLSA-N 0 1 368.389 4.102 20 30 FIEDMN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(F)c3ccccc3c2)n1 ZINC000497415171 1122215482 /nfs/dbraw/zinc/21/54/82/1122215482.db2.gz GUVJLVHYLIVZTQ-AWEZNQCLSA-N 0 1 368.389 4.102 20 30 FIEDMN C=CCN(Cc1ccc(OC)cc1)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000917407557 1122299074 /nfs/dbraw/zinc/29/90/74/1122299074.db2.gz DBSZWFMMVLVQHV-UHFFFAOYSA-N 0 1 365.429 4.004 20 30 FIEDMN CCN(CC(=O)N(C)[C@H](C)c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594210 1122303059 /nfs/dbraw/zinc/30/30/59/1122303059.db2.gz SEUCWHYXDCRNHN-SJORKVTESA-N 0 1 367.468 4.300 20 30 FIEDMN Cc1c(CN=Nc2ccccn2)c2ccccn2c1C(=O)c1ccccc1 ZINC000917567891 1122356352 /nfs/dbraw/zinc/35/63/52/1122356352.db2.gz RLGUFDRWJXIVPZ-UHFFFAOYSA-N 0 1 354.413 4.320 20 30 FIEDMN C=CCN(C(=O)NC[C@H](c1ccccc1Cl)N(CC)CC)C(C)C ZINC000918057263 1122539821 /nfs/dbraw/zinc/53/98/21/1122539821.db2.gz ICOQIVLMYJIRNO-GOSISDBHSA-N 0 1 351.922 4.329 20 30 FIEDMN N#Cc1cccc(C2(NC(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)c1 ZINC000498443184 1122804210 /nfs/dbraw/zinc/80/42/10/1122804210.db2.gz FMPUCPWUDJZMLR-UHFFFAOYSA-N 0 1 367.359 4.183 20 30 FIEDMN N#CCC[C@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000130612529 1122887296 /nfs/dbraw/zinc/88/72/96/1122887296.db2.gz UYNFMWOKFATEGC-YADHBBJMSA-N 0 1 350.462 4.379 20 30 FIEDMN N#Cc1cccc(C2(NCC(=O)N[C@H](c3ccccc3)C3CCCC3)CC2)c1 ZINC000556507918 1122931521 /nfs/dbraw/zinc/93/15/21/1122931521.db2.gz FWYNPSWPAJMLAK-HSZRJFAPSA-N 0 1 373.500 4.185 20 30 FIEDMN N#CCCN(C(=O)CNC1(c2ccc(Cl)cc2)CCC1)c1ccccc1 ZINC000556544632 1122947672 /nfs/dbraw/zinc/94/76/72/1122947672.db2.gz GCIAWPNYSDJXCX-UHFFFAOYSA-N 0 1 367.880 4.256 20 30 FIEDMN C=CCN(CC(=O)Nc1ccccc1SCC#N)CC1CCCCC1 ZINC000072631850 1123109846 /nfs/dbraw/zinc/10/98/46/1123109846.db2.gz KDXQTYJKWGDSRP-UHFFFAOYSA-N 0 1 357.523 4.309 20 30 FIEDMN Cc1ccc(C[C@@H](C)N(C)CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000072667034 1123117315 /nfs/dbraw/zinc/11/73/15/1123117315.db2.gz UPQYTCYPIAINFK-QGZVFWFLSA-N 0 1 367.518 4.112 20 30 FIEDMN C=CCc1cc(OCC)cc(CN(C)Cc2ccccc2[N+](=O)[O-])c1O ZINC000919938834 1123273377 /nfs/dbraw/zinc/27/33/77/1123273377.db2.gz WBQHGRKXOFPWHO-UHFFFAOYSA-N 0 1 356.422 4.060 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)CCc3ccc(C#N)cc3)[nH]c2c1 ZINC000195373614 1123474385 /nfs/dbraw/zinc/47/43/85/1123474385.db2.gz PUHABDSCCQASDS-HXUWFJFHSA-N 0 1 358.445 4.039 20 30 FIEDMN CCS[C@H]1CC[C@H](N(C)CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000076068588 1123560844 /nfs/dbraw/zinc/56/08/44/1123560844.db2.gz SOPWKFBBLLAIHX-OALUTQOASA-N 0 1 373.566 4.156 20 30 FIEDMN CCN(CC)c1ncc(CNCC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000236942536 1123585157 /nfs/dbraw/zinc/58/51/57/1123585157.db2.gz UWUDRLYCFVFVSR-UHFFFAOYSA-N 0 1 367.440 4.149 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)o1 ZINC000609414890 1123708009 /nfs/dbraw/zinc/70/80/09/1123708009.db2.gz RWZOPTRBTXXBJC-LJQANCHMSA-N 0 1 367.493 4.414 20 30 FIEDMN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000609984726 1123907206 /nfs/dbraw/zinc/90/72/06/1123907206.db2.gz ZNIYIBHARKALBB-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000609984650 1123907357 /nfs/dbraw/zinc/90/73/57/1123907357.db2.gz UOPACJJUFRFKHC-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc4nc[nH]c4c3)c2)cc1 ZINC000609987550 1123908314 /nfs/dbraw/zinc/90/83/14/1123908314.db2.gz MBBIWQRCJMLZKV-UHFFFAOYSA-N 0 1 353.385 4.430 20 30 FIEDMN CC(C)(C)CN(CCC#N)CCC(=O)Nc1ccc(Br)cc1 ZINC000610091364 1123937344 /nfs/dbraw/zinc/93/73/44/1123937344.db2.gz LUNVLLAZYVYRJS-UHFFFAOYSA-N 0 1 366.303 4.039 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1ccccc1Cl ZINC000610132873 1123949483 /nfs/dbraw/zinc/94/94/83/1123949483.db2.gz UWWRVHDCIABNAH-SFHVURJKSA-N 0 1 356.853 4.436 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(Oc3cnccn3)c2)n1 ZINC000080456074 1123966434 /nfs/dbraw/zinc/96/64/34/1123966434.db2.gz PQNNFTROTNSBIL-OAHLLOKOSA-N 0 1 364.430 4.339 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(CSCC)cc2)n1 ZINC000067897323 1123984767 /nfs/dbraw/zinc/98/47/67/1123984767.db2.gz YSSQRYQKJOJVFQ-CQSZACIVSA-N 0 1 374.487 4.063 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc(Br)s2)cc1 ZINC000179696058 1124028029 /nfs/dbraw/zinc/02/80/29/1124028029.db2.gz HJHKXOASNMVMCG-GFCCVEGCSA-N 0 1 365.296 4.433 20 30 FIEDMN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccc(Br)cc1C#N ZINC000553918402 1124213417 /nfs/dbraw/zinc/21/34/17/1124213417.db2.gz HVUYRZMVMPWLAZ-DLBZAZTESA-N 0 1 351.288 4.004 20 30 FIEDMN COc1ccccc1[C@@H](CNc1cc(C#N)ccc1C(C)=O)N1CCCC1 ZINC000302128209 1124286140 /nfs/dbraw/zinc/28/61/40/1124286140.db2.gz XCZXVECRFIQRPP-OAQYLSRUSA-N 0 1 363.461 4.018 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4cc(C#N)ccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000302224173 1124296579 /nfs/dbraw/zinc/29/65/79/1124296579.db2.gz UOHQLFZNQRDTJA-HNNXBMFYSA-N 0 1 361.405 4.035 20 30 FIEDMN CC(C)(C)N1CC[C@@H](Nc2cnc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302335211 1124302658 /nfs/dbraw/zinc/30/26/58/1124302658.db2.gz ATYKZPCJMZSYSE-SJLPKXTDSA-N 0 1 373.863 4.167 20 30 FIEDMN CC(C)(C)N1CC[C@H](Nc2cnc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302335210 1124303261 /nfs/dbraw/zinc/30/32/61/1124303261.db2.gz ATYKZPCJMZSYSE-FUHWJXTLSA-N 0 1 373.863 4.167 20 30 FIEDMN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000765908158 1124413099 /nfs/dbraw/zinc/41/30/99/1124413099.db2.gz JVVBGQOKBDWAJK-WOJBJXKFSA-N 0 1 371.444 4.264 20 30 FIEDMN C[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@@H]1c1ccccc1 ZINC000075768396 1124923123 /nfs/dbraw/zinc/92/31/23/1124923123.db2.gz RFXJGZRTSAKLJZ-JXFKEZNVSA-N 0 1 358.445 4.234 20 30 FIEDMN CCCCO[C@H](C)C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000076205061 1124968890 /nfs/dbraw/zinc/96/88/90/1124968890.db2.gz IWLOIIWWMDPEIJ-SNVBAGLBSA-N 0 1 367.247 4.027 20 30 FIEDMN CC1(C)CN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1ccccc1 ZINC000619068838 1125443003 /nfs/dbraw/zinc/44/30/03/1125443003.db2.gz YTLBLVYILZMZIK-JOCHJYFZSA-N 0 1 371.488 4.442 20 30 FIEDMN CC(=O)N(c1nc(CNCCCCC#N)cs1)c1ccc(C)c(C)c1 ZINC000602539514 567992766 /nfs/dbraw/zinc/99/27/66/567992766.db2.gz HUXKMXIOJXZHSH-UHFFFAOYSA-N 0 1 356.495 4.228 20 30 FIEDMN N#Cc1c(C(F)F)cccc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000568476545 568042515 /nfs/dbraw/zinc/04/25/15/568042515.db2.gz ZHSREVAYMJHOLQ-UHFFFAOYSA-N 0 1 359.395 4.347 20 30 FIEDMN Cc1nc(-c2ccccc2)oc1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000602821838 568045308 /nfs/dbraw/zinc/04/53/08/568045308.db2.gz AXORALRLECETCS-UHFFFAOYSA-N 0 1 358.445 4.102 20 30 FIEDMN N#CCC[C@H](C#N)CNCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000066484192 568067509 /nfs/dbraw/zinc/06/75/09/568067509.db2.gz PWEFTDFDEQLFIA-CQSZACIVSA-N 0 1 366.292 4.075 20 30 FIEDMN CCCOc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1OCC ZINC000569090492 568269692 /nfs/dbraw/zinc/26/96/92/568269692.db2.gz CWBRJZBMWFFJKE-UHFFFAOYSA-N 0 1 354.450 4.044 20 30 FIEDMN N#Cc1ccc(CN2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000007981163 568273808 /nfs/dbraw/zinc/27/38/08/568273808.db2.gz XGAQDBGQQGLTPD-UHFFFAOYSA-N 0 1 362.864 4.082 20 30 FIEDMN CC(C)CCN1Cc2cccc(NC(=O)[C@@]3(C#N)CC34CCCC4)c2C1 ZINC000563145734 568295182 /nfs/dbraw/zinc/29/51/82/568295182.db2.gz VDWAGJJTMUMKFL-QFIPXVFZSA-N 0 1 351.494 4.461 20 30 FIEDMN Cc1cc(F)ccc1C1CCN(C([O-])=[NH+]C[C@@H]2CCCn3ccnc32)CC1 ZINC000330193026 571327941 /nfs/dbraw/zinc/32/79/41/571327941.db2.gz AFDAOAMVBPCDOX-KRWDZBQOSA-N 0 1 370.472 4.002 20 30 FIEDMN Cc1c([C@H](C)NCc2ccc(F)c(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000182878379 1125659358 /nfs/dbraw/zinc/65/93/58/1125659358.db2.gz MWEVSFZNOIIVSH-ZDUSSCGKSA-N 0 1 352.388 4.181 20 30 FIEDMN COc1ccc(Br)cc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748849 1125690337 /nfs/dbraw/zinc/69/03/37/1125690337.db2.gz QMTRTSLVEJJZKL-UHFFFAOYSA-N 0 1 365.658 4.273 20 30 FIEDMN Cc1cc(N(CCC#N)C(=O)CN[C@H](C)c2ccsc2)ccc1Cl ZINC000619782557 1125695437 /nfs/dbraw/zinc/69/54/37/1125695437.db2.gz CTWQYMIPHMXROJ-CQSZACIVSA-N 0 1 361.898 4.307 20 30 FIEDMN COc1cccc([C@H]2[C@@H](Nc3ncc(C#N)cc3Cl)CCN2C2CC2)c1 ZINC000182980937 1125708915 /nfs/dbraw/zinc/70/89/15/1125708915.db2.gz GJDGUJRFFUVJPS-OALUTQOASA-N 0 1 368.868 4.005 20 30 FIEDMN COc1cccc([C@@H]2[C@H](Nc3ncc(C#N)cc3Cl)CCN2C2CC2)c1 ZINC000182980878 1125708974 /nfs/dbraw/zinc/70/89/74/1125708974.db2.gz GJDGUJRFFUVJPS-RTBURBONSA-N 0 1 368.868 4.005 20 30 FIEDMN COc1cc(OC)cc(C2(F)CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000619810323 1125712264 /nfs/dbraw/zinc/71/22/64/1125712264.db2.gz APNXPHXKFCYZQN-UHFFFAOYSA-N 0 1 354.425 4.036 20 30 FIEDMN C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000183130330 1125754740 /nfs/dbraw/zinc/75/47/40/1125754740.db2.gz NTPJODBGUYLRJQ-AWEZNQCLSA-N 0 1 358.463 4.076 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cnc4onc(C(C)C)c4c3)[nH]c21 ZINC000605362947 1079768585 /nfs/dbraw/zinc/76/85/85/1079768585.db2.gz ACMMYKUXJXQSMF-AWEZNQCLSA-N 0 1 359.389 4.021 20 30 FIEDMN C#CCC1(C(=O)Nc2nc3cccc(Br)c3[nH]2)CCCCC1 ZINC001625789515 1079789700 /nfs/dbraw/zinc/78/97/00/1079789700.db2.gz ZYCUYOOSFZGEFT-UHFFFAOYSA-N 0 1 360.255 4.238 20 30 FIEDMN CCCCOc1ccc(F)c(Nc2oncc2C#N)c1Br ZINC001211492171 1079793487 /nfs/dbraw/zinc/79/34/87/1079793487.db2.gz OLLLUGUMZDIAIQ-UHFFFAOYSA-N 0 1 354.179 4.370 20 30 FIEDMN CN(C)c1ncc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1Cl ZINC000654991824 1079822724 /nfs/dbraw/zinc/82/27/24/1079822724.db2.gz JXPCXPAOCBYJMW-LLVKDONJSA-N 0 1 362.886 4.045 20 30 FIEDMN N#Cc1ccc2ncc(CN3CC[C@H](Sc4cccc(Cl)c4)C3)n2c1 ZINC000430195606 1079856880 /nfs/dbraw/zinc/85/68/80/1079856880.db2.gz ONOCLLKTOFERMG-SFHVURJKSA-N 0 1 368.893 4.226 20 30 FIEDMN Cc1ccc([C@@H]2CCCCN2CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000610215226 1079981648 /nfs/dbraw/zinc/98/16/48/1079981648.db2.gz BZUJNRWCEQVFMT-FQEVSTJZSA-N 0 1 353.510 4.207 20 30 FIEDMN Cc1ccc([C@@H]2CCCCN2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000610215267 1079982616 /nfs/dbraw/zinc/98/26/16/1079982616.db2.gz NUXVQPRPOGRLKX-QFIPXVFZSA-N 0 1 361.489 4.469 20 30 FIEDMN N#C[C@@H](C(=O)c1ccc(-c2nc[nH]n2)cc1)c1nc(-c2ccccc2)cs1 ZINC000579862288 1080175129 /nfs/dbraw/zinc/17/51/29/1080175129.db2.gz RTFRJSDZLBHVEK-INIZCTEOSA-N 0 1 371.425 4.085 20 30 FIEDMN N#CC(C(=O)c1ccc(-c2nc[nH]n2)cc1)c1nc(-c2ccccc2)cs1 ZINC000579862288 1080175134 /nfs/dbraw/zinc/17/51/34/1080175134.db2.gz RTFRJSDZLBHVEK-INIZCTEOSA-N 0 1 371.425 4.085 20 30 FIEDMN N#CCSCC(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000063306279 1080286127 /nfs/dbraw/zinc/28/61/27/1080286127.db2.gz SGWDJDBFKFGRHN-UHFFFAOYSA-N 0 1 356.838 4.079 20 30 FIEDMN C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)CC(=O)N2C ZINC000728226082 1080578765 /nfs/dbraw/zinc/57/87/65/1080578765.db2.gz HJFAIRCVSGQSDB-INRAOFHCSA-N 0 1 363.244 4.398 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1Cl ZINC000547960659 1081221000 /nfs/dbraw/zinc/22/10/00/1081221000.db2.gz WZIRSXAETNXVPF-UHFFFAOYSA-N 0 1 364.714 4.359 20 30 FIEDMN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000177645257 1081394766 /nfs/dbraw/zinc/39/47/66/1081394766.db2.gz BOVMVQDLFCMLNK-KRWDZBQOSA-N 0 1 366.509 4.113 20 30 FIEDMN COc1cc(C(=O)N(C)C)ccc1N=Cc1cc(Cl)cc(Cl)c1O ZINC000255205953 1081932694 /nfs/dbraw/zinc/93/26/94/1081932694.db2.gz MDQKQSKCPJDBJE-UHFFFAOYSA-N 0 1 367.232 4.160 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnn(-c3ccccc3)c2)s1 ZINC000430594898 1082544403 /nfs/dbraw/zinc/54/44/03/1082544403.db2.gz SLBADWAQKDWPFQ-HNNXBMFYSA-N 0 1 350.447 4.116 20 30 FIEDMN CCCNC(=O)c1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430616037 1082693827 /nfs/dbraw/zinc/69/38/27/1082693827.db2.gz FEPJNNUUIIKJDO-OAHLLOKOSA-N 0 1 369.490 4.070 20 30 FIEDMN CN(C)C(=O)Nc1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430620656 1082726749 /nfs/dbraw/zinc/72/67/49/1082726749.db2.gz CGTZUXKTBLXHOA-AWEZNQCLSA-N 0 1 370.478 4.024 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnn(Cc3ccccc3)c2)s1 ZINC000430641262 1082816969 /nfs/dbraw/zinc/81/69/69/1082816969.db2.gz LSOGATXFXRJXLQ-MRXNPFEDSA-N 0 1 364.474 4.175 20 30 FIEDMN N#CC(C(=O)c1cccc(OCC(F)(F)F)c1)c1nc(C2CC2)cs1 ZINC000647378267 1083368476 /nfs/dbraw/zinc/36/84/76/1083368476.db2.gz JLYBQHSGKGLOIQ-CYBMUJFWSA-N 0 1 366.364 4.452 20 30 FIEDMN CCCN(CC)c1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000647379055 1083369951 /nfs/dbraw/zinc/36/99/51/1083369951.db2.gz ZFVWRTYQWUDUSG-HNNXBMFYSA-N 0 1 354.479 4.142 20 30 FIEDMN COc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)c(OC)c1OC ZINC000255741109 1083461437 /nfs/dbraw/zinc/46/14/37/1083461437.db2.gz MGHKKSYCVXZEMU-UHFFFAOYSA-N 0 1 356.205 4.475 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)C=Cc4ccccc4C#N)C3)[nH]c2c1 ZINC000179451732 1083468561 /nfs/dbraw/zinc/46/85/61/1083468561.db2.gz NMAVWPYFLDIXFL-SINXNMPMSA-N 0 1 370.456 4.162 20 30 FIEDMN C=CCOc1ccc(CN2CCC[C@H](CNC(=O)CCC)C2)cc1Cl ZINC000092707453 1083473944 /nfs/dbraw/zinc/47/39/44/1083473944.db2.gz FDXRZDDQGZZMJQ-QGZVFWFLSA-N 0 1 364.917 4.033 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2ccc(OC(C)C)cc2)c(C#N)c1C ZINC000179533083 1083554025 /nfs/dbraw/zinc/55/40/25/1083554025.db2.gz YRXZREJCXPUZGP-CABCVRRESA-N 0 1 369.465 4.233 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cc(F)ccc2SCC(F)F)cc1O ZINC000188464506 1083560777 /nfs/dbraw/zinc/56/07/77/1083560777.db2.gz SJDJDMXGGUKCEL-UHFFFAOYSA-N 0 1 352.337 4.012 20 30 FIEDMN Cc1cc(CSc2ccccc2C(=O)Nc2cc(C#N)ccc2O)on1 ZINC000179734141 1083612445 /nfs/dbraw/zinc/61/24/45/1083612445.db2.gz KJIHCNKPAVQOPI-UHFFFAOYSA-N 0 1 365.414 4.105 20 30 FIEDMN CCOc1ccccc1[C@H](CC)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000179748627 1083615552 /nfs/dbraw/zinc/61/55/52/1083615552.db2.gz QBIFQDKOCQBTPA-KRWDZBQOSA-N 0 1 371.506 4.315 20 30 FIEDMN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000892496936 1083804297 /nfs/dbraw/zinc/80/42/97/1083804297.db2.gz SUDPEHYGHVDIPK-DRZSPHRISA-N 0 1 351.233 4.077 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccc(C#N)cc1 ZINC000548936077 1083883143 /nfs/dbraw/zinc/88/31/43/1083883143.db2.gz JNOPGXRSCMVRTO-PMPSAXMXSA-N 0 1 361.445 4.221 20 30 FIEDMN N#Cc1cccc(C2(NCc3cnn(Cc4ccccc4Cl)c3)CC2)c1 ZINC000610972022 1083896214 /nfs/dbraw/zinc/89/62/14/1083896214.db2.gz ORSUKGNNRCZJQE-UHFFFAOYSA-N 0 1 362.864 4.235 20 30 FIEDMN C=CCn1c(S[C@H](C)c2n[nH]c(CC)n2)nnc1-c1ccc(Cl)cc1 ZINC000657232789 1083989374 /nfs/dbraw/zinc/98/93/74/1083989374.db2.gz KUGHEJGQSKMOSD-LLVKDONJSA-N 0 1 374.901 4.318 20 30 FIEDMN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCC(C)(C)C ZINC000121695451 1084031579 /nfs/dbraw/zinc/03/15/79/1084031579.db2.gz YEEVJPYEVJLTJK-LBPRGKRZSA-N 0 1 350.846 4.131 20 30 FIEDMN CC(=NNc1ccc(Br)cc1F)c1ccc2c(c1)OCCO2 ZINC000728433097 1084081175 /nfs/dbraw/zinc/08/11/75/1084081175.db2.gz RLEGDGXBQZNKST-UHFFFAOYSA-N 0 1 365.202 4.196 20 30 FIEDMN C=CCCO[C@@H](C)C(=O)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1 ZINC001625873681 1084245726 /nfs/dbraw/zinc/24/57/26/1084245726.db2.gz LHKIOVQYIWUSAR-AWEZNQCLSA-N 0 1 370.415 4.221 20 30 FIEDMN CC(C)c1noc2ncc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc21 ZINC000613290814 1084552651 /nfs/dbraw/zinc/55/26/51/1084552651.db2.gz MRJCUFGDXIKVEZ-MRXNPFEDSA-N 0 1 356.385 4.384 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)c(Cl)c1 ZINC000463435935 1084606974 /nfs/dbraw/zinc/60/69/74/1084606974.db2.gz LXAJJAZLDDZZRV-NRFANRHFSA-N 0 1 354.881 4.029 20 30 FIEDMN Cc1c2cc(F)ccc2oc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180127797 1084619952 /nfs/dbraw/zinc/61/99/52/1084619952.db2.gz RIQHNNNACNWCCN-UHFFFAOYSA-N 0 1 374.419 4.442 20 30 FIEDMN C[C@@H](Oc1ccccc1)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544940 1084638728 /nfs/dbraw/zinc/63/87/28/1084638728.db2.gz LFZWNLWKCPBFKC-RDTXWAMCSA-N 0 1 373.437 4.326 20 30 FIEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC2CCSCC2)cc1 ZINC000134975930 1084686651 /nfs/dbraw/zinc/68/66/51/1084686651.db2.gz ZNQICIQQNRNKBG-GOSISDBHSA-N 0 1 358.507 4.210 20 30 FIEDMN N#C[C@@]1(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)CC12CCCC2 ZINC000582527225 1085094399 /nfs/dbraw/zinc/09/43/99/1085094399.db2.gz QSOOOXPRGYGYRJ-OAQYLSRUSA-N 0 1 357.417 4.037 20 30 FIEDMN N#Cc1csc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000093104193 1085321157 /nfs/dbraw/zinc/32/11/57/1085321157.db2.gz ZTUNOJIKWVMVJN-UHFFFAOYSA-N 0 1 350.447 4.049 20 30 FIEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000660940800 1085324876 /nfs/dbraw/zinc/32/48/76/1085324876.db2.gz YYQKGSIFMYYMQA-FBBABVLZSA-N 0 1 370.541 4.041 20 30 FIEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CC1CCC(OC)CC1 ZINC000136603616 1085576163 /nfs/dbraw/zinc/57/61/63/1085576163.db2.gz AZBYRMDMUDYGKR-PPSBMQLTSA-N 0 1 370.493 4.054 20 30 FIEDMN O=C(NCC1(c2ccccc2Cl)CCCCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329106281 1085630119 /nfs/dbraw/zinc/63/01/19/1085630119.db2.gz OROULQZRSFRIOO-CQSZACIVSA-N 0 1 372.900 4.422 20 30 FIEDMN O=C(NCC1(c2ccccc2Cl)CCCCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329106281 1085630124 /nfs/dbraw/zinc/63/01/24/1085630124.db2.gz OROULQZRSFRIOO-CQSZACIVSA-N 0 1 372.900 4.422 20 30 FIEDMN Cn1cc(Oc2ccccc2C(=O)[C@H](C#N)c2nccc3ccccc32)cn1 ZINC000549569747 1085826984 /nfs/dbraw/zinc/82/69/84/1085826984.db2.gz ADNMAQDICZQUHQ-LJQANCHMSA-N 0 1 368.396 4.251 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000662082946 1086115641 /nfs/dbraw/zinc/11/56/41/1086115641.db2.gz YPTPFBRESWONKF-LVCYWYKZSA-N 0 1 352.503 4.137 20 30 FIEDMN C=C(CCc1nc(-c2ccccc2N2CCN(C)CC2)no1)c1ccccc1 ZINC001211694573 1086498765 /nfs/dbraw/zinc/49/87/65/1086498765.db2.gz SCNIJXDFEXSYBA-UHFFFAOYSA-N 0 1 374.488 4.134 20 30 FIEDMN C=CCC(CC=C)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000467747212 1086598128 /nfs/dbraw/zinc/59/81/28/1086598128.db2.gz PVGXNGIADYRDDI-OAQYLSRUSA-N 0 1 356.510 4.107 20 30 FIEDMN COc1ccc(C(=O)Nc2cccc(CNCc3cccc(C#N)c3)c2)cc1 ZINC000066972020 1086607684 /nfs/dbraw/zinc/60/76/84/1086607684.db2.gz HEXWFJMADBEYQX-UHFFFAOYSA-N 0 1 371.440 4.109 20 30 FIEDMN COc1ccc([C@@H](NCc2cnc3ccc(C#N)cn23)c2ccccc2)cc1 ZINC000585766714 1086694401 /nfs/dbraw/zinc/69/44/01/1086694401.db2.gz JNWQQVQAJHSWHX-QHCPKHFHSA-N 0 1 368.440 4.094 20 30 FIEDMN C=C(C)COCCNCc1cc(C(F)(F)F)ccc1Br ZINC000583469922 1086710109 /nfs/dbraw/zinc/71/01/09/1086710109.db2.gz LGXGLLPWRHUSSL-UHFFFAOYSA-N 0 1 352.194 4.150 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000245440786 1086781478 /nfs/dbraw/zinc/78/14/78/1086781478.db2.gz GSTBQHQEEUPKSM-RYRKJORJSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000245440786 1086781480 /nfs/dbraw/zinc/78/14/80/1086781480.db2.gz GSTBQHQEEUPKSM-RYRKJORJSA-N 0 1 357.523 4.141 20 30 FIEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc(-n2ccnc2)cs1 ZINC000583839732 1086988686 /nfs/dbraw/zinc/98/86/86/1086988686.db2.gz VHFLAJWUKJEBIF-UHFFFAOYSA-N 0 1 355.511 4.290 20 30 FIEDMN N#CCC[C@@H](C#N)CNC(Cc1ccccc1F)Cc1ccccc1F ZINC000583867014 1087003077 /nfs/dbraw/zinc/00/30/77/1087003077.db2.gz PENZCDGSKTVFPJ-INIZCTEOSA-N 0 1 353.416 4.152 20 30 FIEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1csc2ccccc12 ZINC000052805680 1087178507 /nfs/dbraw/zinc/17/85/07/1087178507.db2.gz MAOVZFHGWUYATB-HNNXBMFYSA-N 0 1 355.507 4.064 20 30 FIEDMN N#CC(C(=O)C=Cc1ccc2ccccc2n1)c1cnc2ccccc2n1 ZINC000588587832 1087180776 /nfs/dbraw/zinc/18/07/76/1087180776.db2.gz SKFHMPUWVYNWQF-WFTPILKQSA-N 0 1 350.381 4.068 20 30 FIEDMN N#C[C@@H](C(=O)C=Cc1ccc2ccccc2n1)c1cnc2ccccc2n1 ZINC000588587832 1087180781 /nfs/dbraw/zinc/18/07/81/1087180781.db2.gz SKFHMPUWVYNWQF-WFTPILKQSA-N 0 1 350.381 4.068 20 30 FIEDMN N#CC(=C(O)C=Cc1ccc2ccccc2n1)c1cnc2ccccc2n1 ZINC000588587832 1087180784 /nfs/dbraw/zinc/18/07/84/1087180784.db2.gz SKFHMPUWVYNWQF-WFTPILKQSA-N 0 1 350.381 4.068 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)[nH]c21 ZINC000780382053 1087276670 /nfs/dbraw/zinc/27/66/70/1087276670.db2.gz SRIMBUWJQSLYIR-OAHLLOKOSA-N 0 1 367.836 4.397 20 30 FIEDMN C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(C)cc(C(F)(F)F)c1)C2 ZINC001143455216 1087383306 /nfs/dbraw/zinc/38/33/06/1087383306.db2.gz SZBVBSXPKKKKRP-RBUKOAKNSA-N 0 1 369.427 4.340 20 30 FIEDMN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)cc(C(F)(F)F)c1)C2 ZINC001143455216 1087383312 /nfs/dbraw/zinc/38/33/12/1087383312.db2.gz SZBVBSXPKKKKRP-RBUKOAKNSA-N 0 1 369.427 4.340 20 30 FIEDMN Cc1ccncc1[C@H](C)NCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000611939355 1087596500 /nfs/dbraw/zinc/59/65/00/1087596500.db2.gz JMXGKDJMVCUADS-CVEARBPZSA-N 0 1 368.506 4.074 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)n1 ZINC000659010097 1087895145 /nfs/dbraw/zinc/89/51/45/1087895145.db2.gz HLRZFHRHFQWWNH-CYBMUJFWSA-N 0 1 353.369 4.026 20 30 FIEDMN C=C[C@@H]1OCC[C@H]1CN[C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000424297132 1087903634 /nfs/dbraw/zinc/90/36/34/1087903634.db2.gz PYLAILYOCDQCTG-QSFXBCCZSA-N 0 1 356.422 4.020 20 30 FIEDMN N#Cc1ccc([C@@H](O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180581014 1087967044 /nfs/dbraw/zinc/96/70/44/1087967044.db2.gz QBLSZODWADIJTN-SJORKVTESA-N 0 1 352.331 4.014 20 30 FIEDMN Cn1ncc(C2CC2)c1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000659049622 1087973363 /nfs/dbraw/zinc/97/33/63/1087973363.db2.gz ALGWLPJVKSCWPK-NSHDSACASA-N 0 1 356.838 4.051 20 30 FIEDMN C=C(C)C(C)(C)C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000424555846 1088052824 /nfs/dbraw/zinc/05/28/24/1088052824.db2.gz GPSANIKTQXGHRD-UHFFFAOYSA-N 0 1 368.443 4.342 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c(C)n1C1CCOCC1 ZINC000659115653 1088122245 /nfs/dbraw/zinc/12/22/45/1088122245.db2.gz FHGPIAFJAFWQKA-KRWDZBQOSA-N 0 1 369.490 4.280 20 30 FIEDMN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000053528216 1088209000 /nfs/dbraw/zinc/20/90/00/1088209000.db2.gz JQEVDNQDDUYUHH-AWEZNQCLSA-N 0 1 365.437 4.354 20 30 FIEDMN CCCn1ccc2cc(NS(=O)(=O)c3cccc(Cl)c3C#N)ccc21 ZINC000505278905 1088314940 /nfs/dbraw/zinc/31/49/40/1088314940.db2.gz BFCZCRVEADTSLQ-UHFFFAOYSA-N 0 1 373.865 4.377 20 30 FIEDMN C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1SCC#N ZINC000177527100 1088350062 /nfs/dbraw/zinc/35/00/62/1088350062.db2.gz BHGFKKQXILPJRL-SJLPKXTDSA-N 0 1 365.502 4.119 20 30 FIEDMN CN1CC[C@H](CNC(=O)CCCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000588162847 1088400980 /nfs/dbraw/zinc/40/09/80/1088400980.db2.gz JYSCQMIRZXTXHX-BEFAXECRSA-N 0 1 365.880 4.062 20 30 FIEDMN Cn1cc(CNCc2ccc(Cl)cc2F)c(-c2ccc(C#N)cc2)n1 ZINC000189189547 1088437838 /nfs/dbraw/zinc/43/78/38/1088437838.db2.gz WYXDCIQPMCIALK-UHFFFAOYSA-N 0 1 354.816 4.041 20 30 FIEDMN CC1(C)CCCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)[C@@H]1C#N ZINC000434450890 1088618819 /nfs/dbraw/zinc/61/88/19/1088618819.db2.gz VLXPQBIAXLGBMC-MRXNPFEDSA-N 0 1 364.474 4.446 20 30 FIEDMN CC(C)(C)NC(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000505426538 1088713546 /nfs/dbraw/zinc/71/35/46/1088713546.db2.gz HZDIFJDUKVKXNN-NSOUWEPUSA-N 0 1 357.523 4.133 20 30 FIEDMN CC(C)C[C@@H](N)c1noc(-c2cccc(COc3ccccc3C#N)c2)n1 ZINC000414617781 1088903271 /nfs/dbraw/zinc/90/32/71/1088903271.db2.gz LYAUHNVTRPIVKY-GOSISDBHSA-N 0 1 362.433 4.233 20 30 FIEDMN C=CCOc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(N)cc32)cc1OC ZINC000415022299 1089044146 /nfs/dbraw/zinc/04/41/46/1089044146.db2.gz IYSRIGOAKUNNRU-SFHVURJKSA-N 0 1 368.477 4.234 20 30 FIEDMN C=CCC[C@@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC000435085989 1089273711 /nfs/dbraw/zinc/27/37/11/1089273711.db2.gz SGICEGXLHFIDFI-QZTJIDSGSA-N 0 1 357.523 4.358 20 30 FIEDMN Cc1ccc(NC(=O)CNCc2cccc(OCCCC#N)c2)c(Cl)c1 ZINC000425369562 1089584217 /nfs/dbraw/zinc/58/42/17/1089584217.db2.gz MJZAEGABKUGQQP-UHFFFAOYSA-N 0 1 371.868 4.059 20 30 FIEDMN N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001167722016 1089772486 /nfs/dbraw/zinc/77/24/86/1089772486.db2.gz HCJPPELILZDRND-MRXNPFEDSA-N 0 1 350.853 4.468 20 30 FIEDMN N#Cc1cc(Cl)cc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001167722016 1089772494 /nfs/dbraw/zinc/77/24/94/1089772494.db2.gz HCJPPELILZDRND-MRXNPFEDSA-N 0 1 350.853 4.468 20 30 FIEDMN CCCN(CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000515134911 1089814274 /nfs/dbraw/zinc/81/42/74/1089814274.db2.gz MWBAYUNGUHQSLW-KRWDZBQOSA-N 0 1 367.468 4.129 20 30 FIEDMN C=CCCCS(=O)(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000416539692 1090434752 /nfs/dbraw/zinc/43/47/52/1090434752.db2.gz YWTOCINRTIDVET-INIZCTEOSA-N 0 1 367.902 4.039 20 30 FIEDMN CCCN(CCc1cccc(F)c1)CC(=O)N(CCC#N)c1ccccc1 ZINC000500166956 1091079477 /nfs/dbraw/zinc/07/94/77/1091079477.db2.gz XJCNBSSZXFWICG-UHFFFAOYSA-N 0 1 367.468 4.027 20 30 FIEDMN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000759788348 1091090850 /nfs/dbraw/zinc/09/08/50/1091090850.db2.gz YABLQMUFYHQQAO-UHFFFAOYSA-N 0 1 365.477 4.085 20 30 FIEDMN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053528162 1091121683 /nfs/dbraw/zinc/12/16/83/1091121683.db2.gz QUURILDNAQXVFW-CYBMUJFWSA-N 0 1 365.437 4.220 20 30 FIEDMN C=CCN(CCc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899759 1091818183 /nfs/dbraw/zinc/81/81/83/1091818183.db2.gz PIUAVGGLZDSOBX-UHFFFAOYSA-N 0 1 362.433 4.147 20 30 FIEDMN N#Cc1ccc(CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1F ZINC000512215118 1091915863 /nfs/dbraw/zinc/91/58/63/1091915863.db2.gz VAGBPLFCVSBZOH-QGZVFWFLSA-N 0 1 353.224 4.217 20 30 FIEDMN N#CC(=C([O-])c1cnc2c(F)cccc2c1)c1cc(C(F)(F)F)ccn1 ZINC000429581895 1092338711 /nfs/dbraw/zinc/33/87/11/1092338711.db2.gz XKQNBORVULBOIM-CYBMUJFWSA-N 0 1 359.282 4.278 20 30 FIEDMN C=CCN(CC=C)C(=O)CN(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000521194471 1092561274 /nfs/dbraw/zinc/56/12/74/1092561274.db2.gz UKWSTQLEDHBDDH-UHFFFAOYSA-N 0 1 354.416 4.116 20 30 FIEDMN CCn1ncc2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)c(C)nc21 ZINC000442536966 1092665327 /nfs/dbraw/zinc/66/53/27/1092665327.db2.gz BPHJZXSFWZOSKQ-CQSZACIVSA-N 0 1 367.478 4.004 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)n1 ZINC000442600433 1092692968 /nfs/dbraw/zinc/69/29/68/1092692968.db2.gz OPNCQBYCDOYSKC-INIZCTEOSA-N 0 1 369.490 4.060 20 30 FIEDMN C=CCC(F)(F)C(=O)N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000843702544 1092707791 /nfs/dbraw/zinc/70/77/91/1092707791.db2.gz MPIBUJDVHBCGPG-GFCCVEGCSA-N 0 1 350.262 4.238 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(-c4cscn4)c3)[nH]c21 ZINC000442730375 1092740941 /nfs/dbraw/zinc/74/09/41/1092740941.db2.gz OBTIQZQNZKLEEO-HNNXBMFYSA-N 0 1 358.426 4.485 20 30 FIEDMN COc1ccc(CN(Cc2cc(C#N)cs2)[C@H](C)C2CC2)c(OC)c1 ZINC000549822385 1092837133 /nfs/dbraw/zinc/83/71/33/1092837133.db2.gz QFEZCGBSUUFGNP-CQSZACIVSA-N 0 1 356.491 4.438 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cc1O ZINC000442964953 1092891938 /nfs/dbraw/zinc/89/19/38/1092891938.db2.gz ITKKCGOZFIVBRE-UHFFFAOYSA-N 0 1 350.324 4.461 20 30 FIEDMN C=CCC[C@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000187449220 1092894426 /nfs/dbraw/zinc/89/44/26/1092894426.db2.gz NLLOQNZGEDJTMG-MOPGFXCFSA-N 0 1 364.493 4.138 20 30 FIEDMN CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000443068631 1092926775 /nfs/dbraw/zinc/92/67/75/1092926775.db2.gz WFIPVAAMFQFMKS-UHFFFAOYSA-N 0 1 363.339 4.357 20 30 FIEDMN Cc1nnc(NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c(C#N)c1C ZINC000521881902 1092958597 /nfs/dbraw/zinc/95/85/97/1092958597.db2.gz DDNVERGHGKLJAK-GOSISDBHSA-N 0 1 369.900 4.085 20 30 FIEDMN C[C@H](NCc1ccc(COC2CCOCC2)cc1)c1ccc(C#N)cc1F ZINC000512632320 1093039043 /nfs/dbraw/zinc/03/90/43/1093039043.db2.gz ZCISFAXLYIKZHD-INIZCTEOSA-N 0 1 368.452 4.244 20 30 FIEDMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)c3ccc(C#N)cc3F)ccc2NC1=O ZINC000512660670 1093099514 /nfs/dbraw/zinc/09/95/14/1093099514.db2.gz OIYDQQIYHKBMFM-NQCMUKECSA-N 0 1 367.424 4.219 20 30 FIEDMN C=CCCc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000443416533 1093111161 /nfs/dbraw/zinc/11/11/61/1093111161.db2.gz IPRSVDGLSXVXML-UHFFFAOYSA-N 0 1 356.369 4.020 20 30 FIEDMN C=CCc1cc(CN2CCC(Oc3ccc(F)cc3)CC2)cc(OC)c1O ZINC000512697096 1093150502 /nfs/dbraw/zinc/15/05/02/1093150502.db2.gz MIUONKLXXFDOOM-UHFFFAOYSA-N 0 1 371.452 4.312 20 30 FIEDMN C=CCOCCN[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000645119550 1093202329 /nfs/dbraw/zinc/20/23/29/1093202329.db2.gz JNGQYXLPYARWAG-ZDUSSCGKSA-N 0 1 352.194 4.235 20 30 FIEDMN N#CC(C(=O)c1cnc2c(F)cccc2c1)c1nc(-c2ccncc2)cs1 ZINC000429677585 1093206029 /nfs/dbraw/zinc/20/60/29/1093206029.db2.gz YAKJIHIILDJEOM-HNNXBMFYSA-N 0 1 374.400 4.382 20 30 FIEDMN N#C[C@@H](C(=O)c1cnc2c(F)cccc2c1)c1nc(-c2ccncc2)cs1 ZINC000429677585 1093206034 /nfs/dbraw/zinc/20/60/34/1093206034.db2.gz YAKJIHIILDJEOM-HNNXBMFYSA-N 0 1 374.400 4.382 20 30 FIEDMN CCOC(=O)c1ccc(-c2ccc(CNCc3cccc(C#N)c3)o2)cc1 ZINC000614240185 1093272428 /nfs/dbraw/zinc/27/24/28/1093272428.db2.gz CCUMETZRNUBTJT-UHFFFAOYSA-N 0 1 360.413 4.285 20 30 FIEDMN Fc1ccc(C#CCN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1 ZINC000443647816 1093395340 /nfs/dbraw/zinc/39/53/40/1093395340.db2.gz LUBHDOIJHISBRP-INIZCTEOSA-N 0 1 352.384 4.337 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc(C#N)ccc3Cl)[nH]c2c1 ZINC000509815047 1093425252 /nfs/dbraw/zinc/42/52/52/1093425252.db2.gz XVOTYLHORKKLBW-GOSISDBHSA-N 0 1 364.836 4.374 20 30 FIEDMN N#Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)c(OC(F)F)c1 ZINC000433283869 1093552614 /nfs/dbraw/zinc/55/26/14/1093552614.db2.gz DARQOMVAPRLFGA-IBGZPJMESA-N 0 1 372.415 4.153 20 30 FIEDMN Cc1ccn(-c2ccc(C(=O)C(C#N)c3nc(C(C)C)cs3)cc2)n1 ZINC000474431726 1093774194 /nfs/dbraw/zinc/77/41/94/1093774194.db2.gz KKTRBOOJCNXJDD-INIZCTEOSA-N 0 1 350.447 4.251 20 30 FIEDMN Cc1ccnn1-c1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000474428060 1093780388 /nfs/dbraw/zinc/78/03/88/1093780388.db2.gz BXSHNFCPFVUEFG-INIZCTEOSA-N 0 1 350.447 4.251 20 30 FIEDMN CCN(CC)C(=O)c1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000474440236 1093786750 /nfs/dbraw/zinc/78/67/50/1093786750.db2.gz XDSZLLFLSOLLGG-MRXNPFEDSA-N 0 1 369.490 4.239 20 30 FIEDMN C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000513247620 1094028375 /nfs/dbraw/zinc/02/83/75/1094028375.db2.gz SZSOTMLMUCJOSM-APWZRJJASA-N 0 1 365.502 4.324 20 30 FIEDMN COc1ccc(C#N)cc1CN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000182510263 1094136118 /nfs/dbraw/zinc/13/61/18/1094136118.db2.gz WCOUWNCNCOEXSB-LBPRGKRZSA-N 0 1 350.340 4.316 20 30 FIEDMN N#Cc1cccc(-c2csc(NC(=O)c3cc(-c4ccccc4)n[nH]3)n2)c1 ZINC000501106432 1094507498 /nfs/dbraw/zinc/50/74/98/1094507498.db2.gz NFVHMOVHTBSQLT-UHFFFAOYSA-N 0 1 371.425 4.324 20 30 FIEDMN O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329038874 1094720882 /nfs/dbraw/zinc/72/08/82/1094720882.db2.gz CYMNVUUNCBBSHL-AWEZNQCLSA-N 0 1 372.900 4.422 20 30 FIEDMN O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329038874 1094720890 /nfs/dbraw/zinc/72/08/90/1094720890.db2.gz CYMNVUUNCBBSHL-AWEZNQCLSA-N 0 1 372.900 4.422 20 30 FIEDMN O=C(NC1(c2ccc(Cl)cc2)CCCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329097754 1094735864 /nfs/dbraw/zinc/73/58/64/1094735864.db2.gz YNMPPCWXGSADSX-ZDUSSCGKSA-N 0 1 358.873 4.379 20 30 FIEDMN O=C(NC1(c2ccc(Cl)cc2)CCCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329097754 1094735877 /nfs/dbraw/zinc/73/58/77/1094735877.db2.gz YNMPPCWXGSADSX-ZDUSSCGKSA-N 0 1 358.873 4.379 20 30 FIEDMN C=CCS(=O)(=O)CCN[C@H](CCC)c1ccc(Cl)cc1Cl ZINC000783537464 1094738375 /nfs/dbraw/zinc/73/83/75/1094738375.db2.gz UHUWSYHTZLHIHQ-OAHLLOKOSA-N 0 1 350.311 4.025 20 30 FIEDMN Fc1ccc(-n2nccc2CNCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000474874245 1094807709 /nfs/dbraw/zinc/80/77/09/1094807709.db2.gz WSZRDPNMVCKXFE-UHFFFAOYSA-N 0 1 373.353 4.172 20 30 FIEDMN C[C@@H]1C[C@H](C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC(=O)N1 ZINC000329351201 1094856148 /nfs/dbraw/zinc/85/61/48/1094856148.db2.gz UBEGGXPUHHAHFK-UKPHBRMFSA-N 0 1 363.889 4.188 20 30 FIEDMN O=C(Nc1cccc(F)c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329505262 1094943377 /nfs/dbraw/zinc/94/33/77/1094943377.db2.gz ZJFVLQNFSFKMAK-HNNXBMFYSA-N 0 1 371.460 4.417 20 30 FIEDMN C=CCCC1(C(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)CC1 ZINC000475022682 1095091190 /nfs/dbraw/zinc/09/11/90/1095091190.db2.gz KGKCJHIKCLGFIF-LJQANCHMSA-N 0 1 356.510 4.085 20 30 FIEDMN C[C@H](NC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1Cl ZINC000329870888 1095299616 /nfs/dbraw/zinc/29/96/16/1095299616.db2.gz AIMAVFGGCZAPSK-NWDGAFQWSA-N 0 1 367.280 4.017 20 30 FIEDMN C=CCOc1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000513741128 1095315066 /nfs/dbraw/zinc/31/50/66/1095315066.db2.gz GHKMUZJWTIAKPK-UHFFFAOYSA-N 0 1 370.412 4.442 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N(CC1CC1)C1CCCCC1)CC2 ZINC000330058530 1095364686 /nfs/dbraw/zinc/36/46/86/1095364686.db2.gz ZCRVUIVGHALDGB-GOSISDBHSA-N 0 1 358.530 4.280 20 30 FIEDMN O=C(Nc1ccccc1N1CCCCCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000330081149 1095373283 /nfs/dbraw/zinc/37/32/83/1095373283.db2.gz AADSSHOITKUSRS-KRWDZBQOSA-N 0 1 353.470 4.003 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000330135627 1095390826 /nfs/dbraw/zinc/39/08/26/1095390826.db2.gz SSKUTPWAEKWLBB-RBSFLKMASA-N 0 1 360.255 4.310 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CC2(CCCC2)c2c1cccc2F ZINC000330157169 1095398673 /nfs/dbraw/zinc/39/86/73/1095398673.db2.gz ZEKLDUKSACWKHJ-HNNXBMFYSA-N 0 1 354.429 4.172 20 30 FIEDMN O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330215389 1095420339 /nfs/dbraw/zinc/42/03/39/1095420339.db2.gz GZAASPNAJQLZIW-LBPRGKRZSA-N 0 1 359.651 4.023 20 30 FIEDMN O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCC[N@H+]1C1CC1 ZINC000330215389 1095420347 /nfs/dbraw/zinc/42/03/47/1095420347.db2.gz GZAASPNAJQLZIW-LBPRGKRZSA-N 0 1 359.651 4.023 20 30 FIEDMN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CCCCC(F)(F)C2)C1 ZINC000330220417 1095422769 /nfs/dbraw/zinc/42/27/69/1095422769.db2.gz QFSPXTCMRFDIMT-JKSUJKDBSA-N 0 1 368.472 4.212 20 30 FIEDMN Cc1ccc(CNCc2ccc(C#N)c(F)c2)c(OCC(F)(F)F)c1 ZINC000421344980 1095539906 /nfs/dbraw/zinc/53/99/06/1095539906.db2.gz VRGUCTFEYTWMLH-UHFFFAOYSA-N 0 1 352.331 4.237 20 30 FIEDMN COc1ccccc1[C@H](CNc1ccc(Br)cc1C#N)N(C)C ZINC000522900699 1095860653 /nfs/dbraw/zinc/86/06/53/1095860653.db2.gz SVBXBYPASBJUFD-KRWDZBQOSA-N 0 1 374.282 4.044 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000421879551 1095972956 /nfs/dbraw/zinc/97/29/56/1095972956.db2.gz NIJQTGJIUJVEOX-CQSZACIVSA-N 0 1 374.531 4.187 20 30 FIEDMN Cc1sc(NC(=O)CN[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)c(C#N)c1C ZINC000503377278 1096379212 /nfs/dbraw/zinc/37/92/12/1096379212.db2.gz PWOQLJBVMKSGAY-WYRIXSBYSA-N 0 1 373.909 4.353 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H](C#N)CCc3ccccc3)[nH]c2c1 ZINC000435930248 1098566846 /nfs/dbraw/zinc/56/68/46/1098566846.db2.gz WRVZYJNAFDHURV-GHTZIAJQSA-N 0 1 372.472 4.307 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H](C#N)CCc3ccccc3)[nH]c2c1 ZINC000435930250 1098569426 /nfs/dbraw/zinc/56/94/26/1098569426.db2.gz WRVZYJNAFDHURV-RXVVDRJESA-N 0 1 372.472 4.307 20 30 FIEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC2(C1)CCCCC2 ZINC000532972430 1098658481 /nfs/dbraw/zinc/65/84/81/1098658481.db2.gz JNEQQZVMDAJXID-CQSZACIVSA-N 0 1 357.523 4.092 20 30 FIEDMN Cc1ccc(C(=O)C2CCN(CCOc3cccc(C#N)c3)CC2)c(C)c1 ZINC000515541957 1098705404 /nfs/dbraw/zinc/70/54/04/1098705404.db2.gz IHEWDBVWDYCTNW-UHFFFAOYSA-N 0 1 362.473 4.149 20 30 FIEDMN C=CCC1(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CCCC1 ZINC000454723678 1098711045 /nfs/dbraw/zinc/71/10/45/1098711045.db2.gz TVJYLMCVYTVWOO-SFHVURJKSA-N 0 1 370.541 4.043 20 30 FIEDMN C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)n[n-]c1=[NH+]c1ccccc1C ZINC000515712989 1098864483 /nfs/dbraw/zinc/86/44/83/1098864483.db2.gz ZISGBIMUDOLLGJ-AZUAARDMSA-N 0 1 360.461 4.183 20 30 FIEDMN CCCCc1nc2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)cc2[nH]1 ZINC000436305649 1098918412 /nfs/dbraw/zinc/91/84/12/1098918412.db2.gz ISWPUFWYJUOVBI-UHFFFAOYSA-N 0 1 358.445 4.447 20 30 FIEDMN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000515934666 1099049270 /nfs/dbraw/zinc/04/92/70/1099049270.db2.gz HOXLELHPLZWANO-ZDUSSCGKSA-N 0 1 372.384 4.101 20 30 FIEDMN N#Cc1ccc(SCc2cc(O)ccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000436475055 1099050696 /nfs/dbraw/zinc/05/06/96/1099050696.db2.gz YAZPXPYMEREXTQ-UHFFFAOYSA-N 0 1 354.309 4.483 20 30 FIEDMN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NCc2nc(C#N)cs2)cc1 ZINC000516119475 1099199485 /nfs/dbraw/zinc/19/94/85/1099199485.db2.gz MLDQVJJEZFBGHO-RTBURBONSA-N 0 1 371.506 4.283 20 30 FIEDMN CCOc1nc2cc(C(=O)C(C#N)c3nc(C(C)C)cs3)ccc2[nH]1 ZINC000436699636 1099233366 /nfs/dbraw/zinc/23/33/66/1099233366.db2.gz VUDPEFMAYWMMKH-LBPRGKRZSA-N 0 1 354.435 4.032 20 30 FIEDMN CCOc1nc2cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)ccc2[nH]1 ZINC000436699636 1099233374 /nfs/dbraw/zinc/23/33/74/1099233374.db2.gz VUDPEFMAYWMMKH-LBPRGKRZSA-N 0 1 354.435 4.032 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000263639356 1099288378 /nfs/dbraw/zinc/28/83/78/1099288378.db2.gz DFNGVLLRXLDTRS-UHFFFAOYSA-N 0 1 363.402 4.169 20 30 FIEDMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2cccc(C#N)c2)n1 ZINC000006463813 1099335212 /nfs/dbraw/zinc/33/52/12/1099335212.db2.gz QUWYVWGRDASMAL-UHFFFAOYSA-N 0 1 356.838 4.298 20 30 FIEDMN C#CCN1CCC[C@H]1COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000729810083 1099695485 /nfs/dbraw/zinc/69/54/85/1099695485.db2.gz SRJPFQIGVCTIRG-OWBBTNHHSA-N 0 1 369.461 4.069 20 30 FIEDMN C=CCOCCCC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000437509743 1099961187 /nfs/dbraw/zinc/96/11/87/1099961187.db2.gz XAQFUHFVXJVXFH-UHFFFAOYSA-N 0 1 362.433 4.060 20 30 FIEDMN C=CCOCCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000437509743 1099961194 /nfs/dbraw/zinc/96/11/94/1099961194.db2.gz XAQFUHFVXJVXFH-UHFFFAOYSA-N 0 1 362.433 4.060 20 30 FIEDMN C=C[C@H](CC(=O)Nc1ccccc1N1CCN(CC)CC1)c1ccccc1 ZINC000533884828 1100093255 /nfs/dbraw/zinc/09/32/55/1100093255.db2.gz PFBCBFUJBUVUDJ-LJQANCHMSA-N 0 1 363.505 4.127 20 30 FIEDMN N#CCCSc1ccccc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000517433647 1100371920 /nfs/dbraw/zinc/37/19/20/1100371920.db2.gz BOXHHIUINMEUIS-UHFFFAOYSA-N 0 1 352.868 4.147 20 30 FIEDMN CC(C)(C)N(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000438591167 1100778715 /nfs/dbraw/zinc/77/87/15/1100778715.db2.gz ZQSKTBZBPRKIRN-UHFFFAOYSA-N 0 1 355.869 4.451 20 30 FIEDMN N#Cc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c(Cl)c1 ZINC000426154716 1100923519 /nfs/dbraw/zinc/92/35/19/1100923519.db2.gz WJSXVIOOBBOCAZ-KRWDZBQOSA-N 0 1 372.856 4.153 20 30 FIEDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1C(F)(F)F ZINC000518266652 1101050859 /nfs/dbraw/zinc/05/08/59/1101050859.db2.gz DBPPDPVNBJXPDJ-UHFFFAOYSA-N 0 1 363.339 4.160 20 30 FIEDMN C=C[C@@H]1CCCCN1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000426255057 1101077956 /nfs/dbraw/zinc/07/79/56/1101077956.db2.gz XIAPYVYAHSLDOB-IAGOWNOFSA-N 0 1 369.431 4.058 20 30 FIEDMN Cc1cccc2nc(CCC(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)[nH]c21 ZINC000426280432 1101163157 /nfs/dbraw/zinc/16/31/57/1101163157.db2.gz LYQWZCMPVRVUFA-LJQANCHMSA-N 0 1 374.488 4.483 20 30 FIEDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3cccc(CC#N)c3)n2)cc1 ZINC000518395566 1101168509 /nfs/dbraw/zinc/16/85/09/1101168509.db2.gz MUYDFNHEWAIUMV-UHFFFAOYSA-N 0 1 359.433 4.088 20 30 FIEDMN C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537078941 1101443380 /nfs/dbraw/zinc/44/33/80/1101443380.db2.gz XLQMRBCVZNWXSI-ZDUSSCGKSA-N 0 1 364.323 4.196 20 30 FIEDMN CSc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000439473492 1101474123 /nfs/dbraw/zinc/47/41/23/1101474123.db2.gz VVUVPDFFZYLLJY-OLZOCXBDSA-N 0 1 357.479 4.168 20 30 FIEDMN CC[C@@H]1Oc2cc([C@@H](C)NCC#Cc3cccc(Cl)c3)ccc2NC1=O ZINC000537154367 1101501327 /nfs/dbraw/zinc/50/13/27/1101501327.db2.gz IWLSBBKCCFLBQS-KUHUBIRLSA-N 0 1 368.864 4.152 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000127463897 1101544427 /nfs/dbraw/zinc/54/44/27/1101544427.db2.gz UAIZAYFVNQALEQ-OLZOCXBDSA-N 0 1 361.367 4.255 20 30 FIEDMN Cc1sc(NC(=O)CN2CC[C@@H](Cc3ccccc3)[C@H]2C)c(C#N)c1C ZINC000426430094 1101565500 /nfs/dbraw/zinc/56/55/00/1101565500.db2.gz NDURPHJQLMOTFM-QAPCUYQASA-N 0 1 367.518 4.128 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000475744635 1101569686 /nfs/dbraw/zinc/56/96/86/1101569686.db2.gz AFIYXQIMXAZICJ-YYIAUSFCSA-N 0 1 359.539 4.386 20 30 FIEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2oc(C3CC3)nc2C)cc1 ZINC000760182461 1101579410 /nfs/dbraw/zinc/57/94/10/1101579410.db2.gz HJFSXRKETOOXPT-KRWDZBQOSA-N 0 1 365.433 4.164 20 30 FIEDMN C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(C#N)c(F)c1 ZINC000537407920 1101754782 /nfs/dbraw/zinc/75/47/82/1101754782.db2.gz NRESFLBRHWRRFG-SCLBCKFNSA-N 0 1 371.843 4.197 20 30 FIEDMN Cc1cc(CN2CCC3(CC2)CC(=O)C=CO3)ccc1Oc1cccnc1 ZINC000897602584 1101958038 /nfs/dbraw/zinc/95/80/38/1101958038.db2.gz RANNJGIBNXACAR-UHFFFAOYSA-N 0 1 364.445 4.020 20 30 FIEDMN COc1cccc(-c2cc(CNCc3ccc(C(C)(C)C#N)cc3)on2)c1 ZINC000897841101 1102141990 /nfs/dbraw/zinc/14/19/90/1102141990.db2.gz IEPGCTZMOUKICT-UHFFFAOYSA-N 0 1 361.445 4.441 20 30 FIEDMN CCSc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000103500034 1102198595 /nfs/dbraw/zinc/19/85/95/1102198595.db2.gz VSBZCJMLEYUQOK-GJZGRUSLSA-N 0 1 353.491 4.348 20 30 FIEDMN C[C@H](OC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000783784545 1102273387 /nfs/dbraw/zinc/27/33/87/1102273387.db2.gz FZWYSZVDXFRION-JXFKEZNVSA-N 0 1 366.436 4.214 20 30 FIEDMN CC[C@@H](C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000550142165 1102585965 /nfs/dbraw/zinc/58/59/65/1102585965.db2.gz ABTQWKJIDMEIJU-AVRDEDQJSA-N 0 1 363.505 4.378 20 30 FIEDMN CC(=Cc1cnc(-c2ccc(Cl)cc2)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000550975450 1102737847 /nfs/dbraw/zinc/73/78/47/1102737847.db2.gz CNMVBKDXKZWAFR-YFHOEESVSA-N 0 1 368.849 4.287 20 30 FIEDMN Fc1cccc(OC(F)(F)F)c1CNCCSCC(F)(F)F ZINC000551245407 1103001776 /nfs/dbraw/zinc/00/17/76/1103001776.db2.gz GLXPTSIIZIUUCA-UHFFFAOYSA-N 0 1 351.287 4.109 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H]3CCCC[C@H]3C2)c1C#N ZINC000426828612 1103028649 /nfs/dbraw/zinc/02/86/49/1103028649.db2.gz LPPDQYAMCCBRLP-ROUUACIJSA-N 0 1 368.525 4.152 20 30 FIEDMN C=CCc1cc(CNCc2ccc(OC)cc2Cl)cc(OC)c1OC ZINC000729683410 1103036325 /nfs/dbraw/zinc/03/63/25/1103036325.db2.gz NCGNQARBGSBSHF-UHFFFAOYSA-N 0 1 361.869 4.384 20 30 FIEDMN C=CCc1cc(CNCc2cc(Cl)ccc2OC)cc(OC)c1OC ZINC000729683236 1103038935 /nfs/dbraw/zinc/03/89/35/1103038935.db2.gz ILDGQYJQVDFZIN-UHFFFAOYSA-N 0 1 361.869 4.384 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC001211975931 1103137895 /nfs/dbraw/zinc/13/78/95/1103137895.db2.gz USYVBWYFGSNVFI-IRXDYDNUSA-N 0 1 363.889 4.468 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(OC)cc2C)no1 ZINC001211976130 1103149432 /nfs/dbraw/zinc/14/94/32/1103149432.db2.gz ZWLOWWLTUDFEIW-LPHOPBHVSA-N 0 1 373.497 4.132 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507165739 1103165096 /nfs/dbraw/zinc/16/50/96/1103165096.db2.gz SAPSDTJABQIMMD-SFHVURJKSA-N 0 1 369.509 4.019 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000507165739 1103165104 /nfs/dbraw/zinc/16/51/04/1103165104.db2.gz SAPSDTJABQIMMD-SFHVURJKSA-N 0 1 369.509 4.019 20 30 FIEDMN C=CCc1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(OC)c1O ZINC000507171209 1103191486 /nfs/dbraw/zinc/19/14/86/1103191486.db2.gz SVIVKKCWUHIDKK-UHFFFAOYSA-N 0 1 368.433 4.202 20 30 FIEDMN N#Cc1cccc(C2(NCc3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC000551580943 1103409031 /nfs/dbraw/zinc/40/90/31/1103409031.db2.gz KJWLRNMZFFZPEB-UHFFFAOYSA-N 0 1 355.441 4.311 20 30 FIEDMN N#Cc1cccc(OCCCSc2nc(C=Cc3ccccc3)n[nH]2)c1 ZINC000477580565 1103685221 /nfs/dbraw/zinc/68/52/21/1103685221.db2.gz RGHREPUSPUQSIJ-ZHACJKMWSA-N 0 1 362.458 4.408 20 30 FIEDMN COc1ccc(Oc2ccc(CCNCc3nc(C#N)cs3)cc2)cc1 ZINC000519723050 1103804023 /nfs/dbraw/zinc/80/40/23/1103804023.db2.gz IZHDARXFEVTJNE-UHFFFAOYSA-N 0 1 365.458 4.148 20 30 FIEDMN C[C@@H](NCc1cccc(C#N)c1F)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000538197139 1104032040 /nfs/dbraw/zinc/03/20/40/1104032040.db2.gz CKVHVYKCJKQRQA-OAHLLOKOSA-N 0 1 374.419 4.195 20 30 FIEDMN C[C@@H](NCC#Cc1cccc(Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000538207691 1104049662 /nfs/dbraw/zinc/04/96/62/1104049662.db2.gz GBMGNILQDNPHII-MRXNPFEDSA-N 0 1 352.865 4.169 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1ccc(-n2cccn2)cc1 ZINC000538237734 1104066032 /nfs/dbraw/zinc/06/60/32/1104066032.db2.gz HRQOBYCNHYRENU-CQSZACIVSA-N 0 1 368.387 4.196 20 30 FIEDMN N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000520108092 1104088999 /nfs/dbraw/zinc/08/89/99/1104088999.db2.gz RNDNGERALPTQOK-UHFFFAOYSA-N 0 1 368.396 4.266 20 30 FIEDMN CC(C)N(CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000520173697 1104143059 /nfs/dbraw/zinc/14/30/59/1104143059.db2.gz WJOZHCVJYWALNV-INIZCTEOSA-N 0 1 369.896 4.299 20 30 FIEDMN N#C[C@@H](C(=O)c1cnc(-c2ccsc2)s1)c1nc2ccccc2[nH]1 ZINC000112483417 1104362874 /nfs/dbraw/zinc/36/28/74/1104362874.db2.gz CNKVFUBFQIYFIB-NSHDSACASA-N 0 1 350.428 4.238 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccsc2)s1)c1nc2ccccc2[nH]1 ZINC000112483417 1104362885 /nfs/dbraw/zinc/36/28/85/1104362885.db2.gz CNKVFUBFQIYFIB-NSHDSACASA-N 0 1 350.428 4.238 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)N[C@H]3CCCc4ccc(F)cc43)C2)n[nH]1 ZINC000328721367 1104533569 /nfs/dbraw/zinc/53/35/69/1104533569.db2.gz WUILOVHDVZGUDH-YJBOKZPZSA-N 0 1 356.445 4.028 20 30 FIEDMN C[C@H](C(=O)NC1CCCC1)N1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000328687445 1104537528 /nfs/dbraw/zinc/53/75/28/1104537528.db2.gz GZPXGMZZFHTVIL-AUUYWEPGSA-N 0 1 355.482 4.371 20 30 FIEDMN [O-]C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)=[NH+][C@H]1CCc2ccccc2C1 ZINC000328759967 1104552743 /nfs/dbraw/zinc/55/27/43/1104552743.db2.gz XCMOYZXFMQRKDO-FDFHNCONSA-N 0 1 364.489 4.215 20 30 FIEDMN [O-]C(=[NH+][C@H]1CCc2ccccc2C1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000328851204 1104578839 /nfs/dbraw/zinc/57/88/39/1104578839.db2.gz ZMKUIHZQQJICBP-IBGZPJMESA-N 0 1 374.488 4.214 20 30 FIEDMN N#Cc1c(NC(=O)CCN2CCOCC23CCCC3)sc2c1CCCC2 ZINC000328920328 1104602230 /nfs/dbraw/zinc/60/22/30/1104602230.db2.gz LTKNKMOTKCNLCY-UHFFFAOYSA-N 0 1 373.522 4.122 20 30 FIEDMN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1c(O)cc(Cl)cc1Cl ZINC000331236078 1104710531 /nfs/dbraw/zinc/71/05/31/1104710531.db2.gz MCFVFDPTAWHREV-SECBINFHSA-N 0 1 371.186 4.030 20 30 FIEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000184346356 1105102101 /nfs/dbraw/zinc/10/21/01/1105102101.db2.gz XIHKXGWFVFNMMK-AWEZNQCLSA-N 0 1 373.497 4.109 20 30 FIEDMN C[C@H](CC(F)(F)CN)c1nc(-c2ccc(-c3ccc(C#N)cc3)cc2)no1 ZINC001211896060 1106746509 /nfs/dbraw/zinc/74/65/09/1106746509.db2.gz VIFSRVMPPNZTEL-CYBMUJFWSA-N 0 1 368.387 4.363 20 30 FIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1nccn1CC(F)(F)F ZINC000728699153 1106852265 /nfs/dbraw/zinc/85/22/65/1106852265.db2.gz QEDIGEDAUBXIKJ-FPLPWBNLSA-N 0 1 360.339 4.040 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(C3CC3)c2)c(C#N)c1C ZINC000451116846 1106929662 /nfs/dbraw/zinc/92/96/62/1106929662.db2.gz SEJPLRRAMBOLHQ-UONOGXRCSA-N 0 1 351.450 4.323 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H](COC)c2ccc(F)cc2)ccc1OC ZINC000531445020 1107903392 /nfs/dbraw/zinc/90/33/92/1107903392.db2.gz VUZPUOGUWXOASH-IBGZPJMESA-N 0 1 359.441 4.267 20 30 FIEDMN Cc1cccc(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)c1C#N ZINC000137645890 1107948144 /nfs/dbraw/zinc/94/81/44/1107948144.db2.gz BCMJGSOAUURPHJ-UHFFFAOYSA-N 0 1 368.380 4.162 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000444765539 1108161749 /nfs/dbraw/zinc/16/17/49/1108161749.db2.gz KDRMWQXHLQEXAD-QGZVFWFLSA-N 0 1 369.509 4.129 20 30 FIEDMN CC(C)[C@H]1CCCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000444773059 1108169390 /nfs/dbraw/zinc/16/93/90/1108169390.db2.gz QBMGFNJWRILAJX-SJORKVTESA-N 0 1 359.539 4.245 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCCC23CCC3)c1C#N ZINC000444795986 1108190089 /nfs/dbraw/zinc/19/00/89/1108190089.db2.gz ZALFERYUIRSJEA-UHFFFAOYSA-N 0 1 354.498 4.049 20 30 FIEDMN COc1cc(CNCc2cccc(OC)c2OC2CCCC2)ccc1C#N ZINC000440810722 1108889203 /nfs/dbraw/zinc/88/92/03/1108889203.db2.gz DVGIDMYTDKGOTR-UHFFFAOYSA-N 0 1 366.461 4.187 20 30 FIEDMN Cc1cc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1C#N ZINC000475637144 1109068247 /nfs/dbraw/zinc/06/82/47/1109068247.db2.gz XGXOQHDEJFFHNW-KRWDZBQOSA-N 0 1 368.786 4.362 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCCC(C)(C)C1 ZINC000446059101 1109098648 /nfs/dbraw/zinc/09/86/48/1109098648.db2.gz DKRUUBDBIUEUGS-MRXNPFEDSA-N 0 1 359.539 4.389 20 30 FIEDMN C[C@@]1(c2ccccc2)CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000524755789 1109145021 /nfs/dbraw/zinc/14/50/21/1109145021.db2.gz BLWXSXMYBADVNP-JOCHJYFZSA-N 0 1 358.445 4.162 20 30 FIEDMN C[C@@H](OC[C@H](O)CN(CCC#N)CC(C)(C)C)c1ccc(Cl)cc1 ZINC000524811531 1109162022 /nfs/dbraw/zinc/16/20/22/1109162022.db2.gz NDKFQWMJALJPPD-CRAIPNDOSA-N 0 1 352.906 4.040 20 30 FIEDMN CCN(C(=O)c1cccc(Br)c1O)[C@H](C)c1ccc(C#N)cc1 ZINC000525260239 1109322650 /nfs/dbraw/zinc/32/26/50/1109322650.db2.gz JASPSXZSHAXFPG-GFCCVEGCSA-N 0 1 373.250 4.250 20 30 FIEDMN C[C@@H](c1cccc(C#N)c1)N1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447398601 1109533655 /nfs/dbraw/zinc/53/36/55/1109533655.db2.gz SNKJTOJYPOEVDY-MSOLQXFVSA-N 0 1 356.473 4.378 20 30 FIEDMN CN(CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000447406427 1109535338 /nfs/dbraw/zinc/53/53/38/1109535338.db2.gz UVKFLJQHJUKNOM-UHFFFAOYSA-N 0 1 365.399 4.089 20 30 FIEDMN C=CCOc1ccc(/C=C/c2nc(-c3ccn4cncc4c3)no2)cc1OC ZINC000447948928 1109679413 /nfs/dbraw/zinc/67/94/13/1109679413.db2.gz SNGDWVUCFLOESJ-FNORWQNLSA-N 0 1 374.400 4.128 20 30 FIEDMN CC(C)(C)c1cnc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000447928590 1109680796 /nfs/dbraw/zinc/68/07/96/1109680796.db2.gz FBJWIZRHWBYXQP-OAHLLOKOSA-N 0 1 372.513 4.210 20 30 FIEDMN CN(C)[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000527262146 1109727337 /nfs/dbraw/zinc/72/73/37/1109727337.db2.gz SKAHVUVHDDMXCO-AZUAARDMSA-N 0 1 369.896 4.146 20 30 FIEDMN CC(C)(C)c1cnc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000448212266 1109746558 /nfs/dbraw/zinc/74/65/58/1109746558.db2.gz KCDXPDOHLLXDCO-UHFFFAOYSA-N 0 1 368.550 4.020 20 30 FIEDMN C=CCC1(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000449607888 1110122112 /nfs/dbraw/zinc/12/21/12/1110122112.db2.gz ZORRNKXWYCNGEM-GOSISDBHSA-N 0 1 354.454 4.144 20 30 FIEDMN N#CC(C(=O)C1CCc2ccccc2CC1)c1ccc(C(F)(F)F)cn1 ZINC000528911733 1110148407 /nfs/dbraw/zinc/14/84/07/1110148407.db2.gz DSQBGEBSCYAPBS-QGZVFWFLSA-N 0 1 358.363 4.472 20 30 FIEDMN C=CCOc1ccc(CN2CCC(OCCOC(C)C)CC2)cc1Cl ZINC000449730204 1110154697 /nfs/dbraw/zinc/15/46/97/1110154697.db2.gz QBJYOMTWWZMTIF-UHFFFAOYSA-N 0 1 367.917 4.311 20 30 FIEDMN C[C@@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1cccc(C#N)c1 ZINC000538397526 1111115400 /nfs/dbraw/zinc/11/54/00/1111115400.db2.gz KSIGBTDKIKTEMY-MRXNPFEDSA-N 0 1 356.429 4.056 20 30 FIEDMN CC(C)Sc1ccc([C@@H](C)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000539305850 1111514441 /nfs/dbraw/zinc/51/44/41/1111514441.db2.gz SFQYSYIBULWKQG-OAHLLOKOSA-N 0 1 353.491 4.348 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccnc(N(C)C)c3)n2)cc1 ZINC000478079535 1111672065 /nfs/dbraw/zinc/67/20/65/1111672065.db2.gz RGQNDZWIBRPIHX-MRXNPFEDSA-N 0 1 362.458 4.070 20 30 FIEDMN C=CCC1(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)CCC1 ZINC000478269797 1111731743 /nfs/dbraw/zinc/73/17/43/1111731743.db2.gz YIAPUXWVNUWDRP-HXUWFJFHSA-N 0 1 356.510 4.085 20 30 FIEDMN C#CCOc1ccc(Br)cc1CNCc1ccc(Cl)cc1 ZINC000041636131 1111774976 /nfs/dbraw/zinc/77/49/76/1111774976.db2.gz UEHDZMPUXCPECD-UHFFFAOYSA-N 0 1 364.670 4.404 20 30 FIEDMN CC(C)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 ZINC000479240995 1111972596 /nfs/dbraw/zinc/97/25/96/1111972596.db2.gz IITUAAGIPUSPEE-UHFFFAOYSA-N 0 1 361.489 4.098 20 30 FIEDMN CC[C@@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(C#N)cc1 ZINC000479523858 1112052211 /nfs/dbraw/zinc/05/22/11/1112052211.db2.gz AINZBNNDEKTKOW-IAGOWNOFSA-N 0 1 364.367 4.231 20 30 FIEDMN N#CC(=C([O-])c1ccc(C[NH+]2CCCC2)cc1)c1nccc2ccccc21 ZINC000554017197 1112169294 /nfs/dbraw/zinc/16/92/94/1112169294.db2.gz UANGNGDOIGGDOR-OAQYLSRUSA-N 0 1 355.441 4.321 20 30 FIEDMN N#CCCN(C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(F)cc1 ZINC000554164351 1112223468 /nfs/dbraw/zinc/22/34/68/1112223468.db2.gz NXYPZLPEABIHIP-UHFFFAOYSA-N 0 1 368.799 4.430 20 30 FIEDMN C=CCC1(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCC1 ZINC000480182492 1112320664 /nfs/dbraw/zinc/32/06/64/1112320664.db2.gz PPBDQHFVFXJMJJ-UHFFFAOYSA-N 0 1 360.929 4.415 20 30 FIEDMN Cc1cccc(C)c1OC[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000480386212 1112414156 /nfs/dbraw/zinc/41/41/56/1112414156.db2.gz LIGPCXXBZDCFBB-QFIPXVFZSA-N 0 1 359.473 4.424 20 30 FIEDMN CC[C@H](NC(=O)CN[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000554842537 1112517789 /nfs/dbraw/zinc/51/77/89/1112517789.db2.gz HBQAIWIIGUXPIB-LIRRHRJNSA-N 0 1 355.869 4.130 20 30 FIEDMN COc1ccc2ccccc2c1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000554885986 1112545512 /nfs/dbraw/zinc/54/55/12/1112545512.db2.gz JCCWGXBNRIOZTJ-UHFFFAOYSA-N 0 1 360.457 4.369 20 30 FIEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000481296437 1112863815 /nfs/dbraw/zinc/86/38/15/1112863815.db2.gz SKGMZUCLJFBLBW-UHFFFAOYSA-N 0 1 372.384 4.167 20 30 FIEDMN N#CC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000600180102 1112917467 /nfs/dbraw/zinc/91/74/67/1112917467.db2.gz ZCWMBOBQYOHFML-NSHDSACASA-N 0 1 365.300 4.026 20 30 FIEDMN COc1cc(OC2CC2)ccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000482858077 1113382993 /nfs/dbraw/zinc/38/29/93/1113382993.db2.gz NUBOBHHWXBBFMC-HNNXBMFYSA-N 0 1 356.447 4.306 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000482892625 1113389247 /nfs/dbraw/zinc/38/92/47/1113389247.db2.gz CAIJYHZSHQPKQG-UHFFFAOYSA-N 0 1 369.472 4.306 20 30 FIEDMN N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCc4cn[nH]c43)cc2)cc1 ZINC000482930748 1113402254 /nfs/dbraw/zinc/40/22/54/1113402254.db2.gz QSDSJJWDZCULAX-LJQANCHMSA-N 0 1 373.416 4.273 20 30 FIEDMN Cc1ccc2nc(C)c(C(=O)C(C#N)c3cnc4ccccc4n3)cc2c1 ZINC000483189764 1113464115 /nfs/dbraw/zinc/46/41/15/1113464115.db2.gz CKRZXVXAXHAJAU-QGZVFWFLSA-N 0 1 352.397 4.285 20 30 FIEDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000490044860 1114209768 /nfs/dbraw/zinc/20/97/68/1114209768.db2.gz GARGBEOQHJFJIG-OAHLLOKOSA-N 0 1 351.406 4.071 20 30 FIEDMN COc1cccc(OC)c1OC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000490336060 1114269250 /nfs/dbraw/zinc/26/92/50/1114269250.db2.gz IXXLTOOILVNWEM-INIZCTEOSA-N 0 1 366.461 4.180 20 30 FIEDMN COc1ccc(S[C@H](C)C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000054736788 1114386343 /nfs/dbraw/zinc/38/63/43/1114386343.db2.gz YIYBYNZYHNKXGG-IUODEOHRSA-N 0 1 352.415 4.193 20 30 FIEDMN N#Cc1ccccc1CNC1(c2cccc(Br)c2)CCOCC1 ZINC000055055566 1114414024 /nfs/dbraw/zinc/41/40/24/1114414024.db2.gz IUCSESCBRMOKOR-UHFFFAOYSA-N 0 1 371.278 4.116 20 30 FIEDMN Cc1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 ZINC000588348527 1114576755 /nfs/dbraw/zinc/57/67/55/1114576755.db2.gz PMOAMQLTBWCNHU-GOSISDBHSA-N 0 1 352.397 4.219 20 30 FIEDMN Cc1nn(-c2ccccc2)cc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000588348527 1114576759 /nfs/dbraw/zinc/57/67/59/1114576759.db2.gz PMOAMQLTBWCNHU-GOSISDBHSA-N 0 1 352.397 4.219 20 30 FIEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1O ZINC000572056804 1114596224 /nfs/dbraw/zinc/59/62/24/1114596224.db2.gz AQKCWKJHDAOXCU-NVXWUHKLSA-N 0 1 374.362 4.323 20 30 FIEDMN Cn1c(Cc2cccs2)nc2cc(C(=O)C(C#N)c3ccccn3)ccc21 ZINC000572126053 1114610652 /nfs/dbraw/zinc/61/06/52/1114610652.db2.gz UGZJAEQICDJXIF-INIZCTEOSA-N 0 1 372.453 4.111 20 30 FIEDMN C[C@@H](c1cc(F)ccc1F)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000056282817 1114682083 /nfs/dbraw/zinc/68/20/83/1114682083.db2.gz RTIGQLPAKJFOSO-INIZCTEOSA-N 0 1 355.432 4.105 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000588977615 1114684148 /nfs/dbraw/zinc/68/41/48/1114684148.db2.gz DRVFGWDFWLEHPR-DOTOQJQBSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000588977615 1114684151 /nfs/dbraw/zinc/68/41/51/1114684151.db2.gz DRVFGWDFWLEHPR-DOTOQJQBSA-N 0 1 357.523 4.141 20 30 FIEDMN N#CCc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)c1 ZINC000589594243 1114814170 /nfs/dbraw/zinc/81/41/70/1114814170.db2.gz MMINQWJZBGGVAR-UHFFFAOYSA-N 0 1 374.771 4.226 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)o1 ZINC000590477538 1114935703 /nfs/dbraw/zinc/93/57/03/1114935703.db2.gz KNIGDHFINVHITA-LJQANCHMSA-N 0 1 353.466 4.286 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C(C)(C)C)c2)n1 ZINC000572982970 1114941080 /nfs/dbraw/zinc/94/10/80/1114941080.db2.gz CRMHEUXWCZBTNW-CQSZACIVSA-N 0 1 356.447 4.107 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cccc(C(C)(C)C)c2)n1 ZINC000572982970 1114941081 /nfs/dbraw/zinc/94/10/81/1114941081.db2.gz CRMHEUXWCZBTNW-CQSZACIVSA-N 0 1 356.447 4.107 20 30 FIEDMN N#CC(C(=O)c1cnc(C2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000591862500 1115165821 /nfs/dbraw/zinc/16/58/21/1115165821.db2.gz RXRZIWXHVUPORL-JTQLQIEISA-N 0 1 358.373 4.255 20 30 FIEDMN N#C[C@@H](C(=O)c1cnc(C2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000591862500 1115165825 /nfs/dbraw/zinc/16/58/25/1115165825.db2.gz RXRZIWXHVUPORL-JTQLQIEISA-N 0 1 358.373 4.255 20 30 FIEDMN CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)ccc1C ZINC000573992017 1115228443 /nfs/dbraw/zinc/22/84/43/1115228443.db2.gz XGZROLRHIQBHRZ-CQSZACIVSA-N 0 1 355.463 4.198 20 30 FIEDMN CC(=O)Nc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)ccc1C ZINC000573992017 1115228445 /nfs/dbraw/zinc/22/84/45/1115228445.db2.gz XGZROLRHIQBHRZ-CQSZACIVSA-N 0 1 355.463 4.198 20 30 FIEDMN CC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1F ZINC000593065390 1115279948 /nfs/dbraw/zinc/27/99/48/1115279948.db2.gz WBSQLEXDZPWXDE-JXFKEZNVSA-N 0 1 353.441 4.202 20 30 FIEDMN Cc1sc(NC(=O)CNC2(c3ccccc3C)CCC2)c(C#N)c1C ZINC000593038371 1115281373 /nfs/dbraw/zinc/28/13/73/1115281373.db2.gz DHPNVALRNRKMMI-UHFFFAOYSA-N 0 1 353.491 4.153 20 30 FIEDMN CC(C)(C#N)c1ccc(CNCc2ccncc2OCC(F)(F)F)cc1 ZINC000594525611 1115459839 /nfs/dbraw/zinc/45/98/39/1115459839.db2.gz WSSULBKPLRZKAI-UHFFFAOYSA-N 0 1 363.383 4.114 20 30 FIEDMN COCCCOc1cc(C)ccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594932856 1115500561 /nfs/dbraw/zinc/50/05/61/1115500561.db2.gz WBJGZPMOTZYVHJ-UHFFFAOYSA-N 0 1 364.489 4.255 20 30 FIEDMN COc1cc(Br)ccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594943035 1115501526 /nfs/dbraw/zinc/50/15/26/1115501526.db2.gz CCESIQJMMOTQKR-UHFFFAOYSA-N 0 1 371.278 4.303 20 30 FIEDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000595042819 1115511651 /nfs/dbraw/zinc/51/16/51/1115511651.db2.gz BXCQVEVQAJQAPH-YJYMSZOUSA-N 0 1 351.406 4.203 20 30 FIEDMN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000168560124 1115518072 /nfs/dbraw/zinc/51/80/72/1115518072.db2.gz OUXDPASTWHVEAG-HUUCEWRRSA-N 0 1 357.425 4.267 20 30 FIEDMN N#Cc1ccc(CCN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000595303656 1115524140 /nfs/dbraw/zinc/52/41/40/1115524140.db2.gz BGEZGALBISRBOA-HXUWFJFHSA-N 0 1 358.445 4.378 20 30 FIEDMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC[C@@H](CC#N)C1 ZINC000595623421 1115551765 /nfs/dbraw/zinc/55/17/65/1115551765.db2.gz PBQKRJMDLLFYQN-KRWDZBQOSA-N 0 1 356.901 4.327 20 30 FIEDMN Cc1cc(OC[C@@H](O)C[N@H+]2CCC[C@H](CC#N)C2)c(C(C)C)cc1Cl ZINC000595609967 1115553091 /nfs/dbraw/zinc/55/30/91/1115553091.db2.gz QYNAGNJQXNVRBB-SJORKVTESA-N 0 1 364.917 4.137 20 30 FIEDMN COC[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cccc(OC)c1 ZINC000595683315 1115554347 /nfs/dbraw/zinc/55/43/47/1115554347.db2.gz GMGYPCFSLMWWOX-SFHVURJKSA-N 0 1 364.367 4.063 20 30 FIEDMN N#Cc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)c(Br)c1 ZINC000595784600 1115563284 /nfs/dbraw/zinc/56/32/84/1115563284.db2.gz SNMHWSOVNUFTEY-SFHVURJKSA-N 0 1 363.299 4.102 20 30 FIEDMN CC(C)(C#N)c1ccc(CN[C@@H]2CCc3ccccc3-n3ccnc32)cc1 ZINC000596063710 1115572793 /nfs/dbraw/zinc/57/27/93/1115572793.db2.gz QWDVCFQKWKOLCK-HXUWFJFHSA-N 0 1 356.473 4.451 20 30 FIEDMN N#CC1(CC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000596674927 1115606599 /nfs/dbraw/zinc/60/65/99/1115606599.db2.gz YMTPCJJGTMECRM-UHFFFAOYSA-N 0 1 373.928 4.285 20 30 FIEDMN CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977317 1115631025 /nfs/dbraw/zinc/63/10/25/1115631025.db2.gz JFQTXSAIFSXWFI-UHFFFAOYSA-N 0 1 361.489 4.401 20 30 FIEDMN CCOc1cc(CN2CCC[C@@H](CC#N)C2)ccc1OCC(F)(F)F ZINC000597172499 1115644378 /nfs/dbraw/zinc/64/43/78/1115644378.db2.gz BECDNEORBWYDQL-AWEZNQCLSA-N 0 1 356.388 4.152 20 30 FIEDMN C[C@@H]1Cc2c(C#N)c(NC(=O)c3ocnc3C(F)F)sc2[C@@H](C)C1 ZINC000602342937 1115699383 /nfs/dbraw/zinc/69/93/83/1115699383.db2.gz NIUKIMYZVVXSLB-YUMQZZPRSA-N 0 1 351.378 4.483 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3ncc(C(F)(F)F)s3)CC2)c1 ZINC000593514962 1115709876 /nfs/dbraw/zinc/70/98/76/1115709876.db2.gz IAGSHORWFYJKLX-UHFFFAOYSA-N 0 1 366.412 4.110 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3cccc(Cl)c3C#N)CC2)c1 ZINC000593516451 1115711137 /nfs/dbraw/zinc/71/11/37/1115711137.db2.gz ZNNAOKUVYLYRIC-UHFFFAOYSA-N 0 1 350.853 4.160 20 30 FIEDMN N#Cc1ccc(CNCc2c(C(F)(F)F)nc3n2CCCC3)cc1Cl ZINC000602657279 1115717862 /nfs/dbraw/zinc/71/78/62/1115717862.db2.gz DDNMAILXIPFEOP-UHFFFAOYSA-N 0 1 368.790 4.053 20 30 FIEDMN COc1ccccc1C[N@H+](Cc1cccs1)C[C@@H](O)CC(C)(C)C#N ZINC000598590228 1115738475 /nfs/dbraw/zinc/73/84/75/1115738475.db2.gz SFWOIUXZGPTNOL-KRWDZBQOSA-N 0 1 358.507 4.060 20 30 FIEDMN COc1ccccc1CN(Cc1cccs1)C[C@@H](O)CC(C)(C)C#N ZINC000598590228 1115738477 /nfs/dbraw/zinc/73/84/77/1115738477.db2.gz SFWOIUXZGPTNOL-KRWDZBQOSA-N 0 1 358.507 4.060 20 30 FIEDMN CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000598604104 1115738688 /nfs/dbraw/zinc/73/86/88/1115738688.db2.gz IXVPROBOAZGSHP-JKSUJKDBSA-N 0 1 369.278 4.026 20 30 FIEDMN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000598604104 1115738693 /nfs/dbraw/zinc/73/86/93/1115738693.db2.gz IXVPROBOAZGSHP-JKSUJKDBSA-N 0 1 369.278 4.026 20 30 FIEDMN Cc1oc(-c2ccsc2)nc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000170709885 1115755080 /nfs/dbraw/zinc/75/50/80/1115755080.db2.gz WWPKRDPAHCITMD-CYBMUJFWSA-N 0 1 363.398 4.272 20 30 FIEDMN CCCN(CC(=O)N[C@@H](c1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000603681016 1115805977 /nfs/dbraw/zinc/80/59/77/1115805977.db2.gz BPWSCISCOWDEGM-HSZRJFAPSA-N 0 1 363.505 4.284 20 30 FIEDMN CCCN(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)Cc1ccc(C#N)cc1 ZINC000603681155 1115806205 /nfs/dbraw/zinc/80/62/05/1115806205.db2.gz MKHSZTDWSNOARE-IBGZPJMESA-N 0 1 363.505 4.265 20 30 FIEDMN CC(C)COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000603983751 1115836473 /nfs/dbraw/zinc/83/64/73/1115836473.db2.gz SKASTMHBMLDGPS-UHFFFAOYSA-N 0 1 364.854 4.047 20 30 FIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000604343118 1115862830 /nfs/dbraw/zinc/86/28/30/1115862830.db2.gz IHTPNMNFEGZBDB-UHFFFAOYSA-N 0 1 360.417 4.296 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)[nH]c21 ZINC000605363197 1115891431 /nfs/dbraw/zinc/89/14/31/1115891431.db2.gz OIYNYDIPGUWWIZ-AWEZNQCLSA-N 0 1 363.465 4.436 20 30 FIEDMN C=CCN(Cc1ccccc1F)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000605401614 1115894010 /nfs/dbraw/zinc/89/40/10/1115894010.db2.gz DHTSEQWXQMNGCT-UHFFFAOYSA-N 0 1 361.420 4.215 20 30 FIEDMN CC(C)CNC(=O)c1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594031562 1115965614 /nfs/dbraw/zinc/96/56/14/1115965614.db2.gz IFHVXLNMERORNP-UHFFFAOYSA-N 0 1 361.489 4.113 20 30 FIEDMN COC(=O)c1ccc(Cl)c(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594032902 1115968359 /nfs/dbraw/zinc/96/83/59/1115968359.db2.gz DAVJBGZMKSUZHI-UHFFFAOYSA-N 0 1 354.837 4.167 20 30 FIEDMN N#Cc1cc(CNC2(c3cccc(OC(F)(F)F)c3)CC2)ccc1F ZINC000594035367 1115971384 /nfs/dbraw/zinc/97/13/84/1115971384.db2.gz RRVQYTZWFOOMDX-UHFFFAOYSA-N 0 1 350.315 4.375 20 30 FIEDMN N#Cc1ccc(CN2CCC(N=Nc3ccc4ccccc4n3)CC2)cc1 ZINC000063356141 1116052448 /nfs/dbraw/zinc/05/24/48/1116052448.db2.gz RLZTUIYFNYLVPN-UHFFFAOYSA-N 0 1 355.445 4.170 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000173900115 1116098329 /nfs/dbraw/zinc/09/83/29/1116098329.db2.gz DWNRPURGEHUUON-JTUHZDRVSA-N 0 1 355.441 4.044 20 30 FIEDMN CN(CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)CC(C)(C)C ZINC000608886400 1116135584 /nfs/dbraw/zinc/13/55/84/1116135584.db2.gz JKDPVJMDVVKCPA-UHFFFAOYSA-N 0 1 365.477 4.054 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccncc2)s1)c1ccc(C(F)(F)F)cn1 ZINC000534927637 1116253334 /nfs/dbraw/zinc/25/33/34/1116253334.db2.gz FUTLSZWYASVEHY-LBPRGKRZSA-N 0 1 374.347 4.109 20 30 FIEDMN N#C[C@H](C(=O)c1cnc(-c2ccncc2)s1)c1ccc(C(F)(F)F)cn1 ZINC000534927637 1116253337 /nfs/dbraw/zinc/25/33/37/1116253337.db2.gz FUTLSZWYASVEHY-LBPRGKRZSA-N 0 1 374.347 4.109 20 30 FIEDMN Cn1cc(Nc2cccc(C(=O)C(C#N)c3nc4ccccc4s3)c2)cn1 ZINC000534995169 1116260548 /nfs/dbraw/zinc/26/05/48/1116260548.db2.gz PGLJOHHCQAAVCT-INIZCTEOSA-N 0 1 373.441 4.263 20 30 FIEDMN Cn1cc(Nc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2)cn1 ZINC000534995169 1116260549 /nfs/dbraw/zinc/26/05/49/1116260549.db2.gz PGLJOHHCQAAVCT-INIZCTEOSA-N 0 1 373.441 4.263 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)c1ccc(CC#N)cc1)c1ccccc1Cl ZINC000535334104 1116295634 /nfs/dbraw/zinc/29/56/34/1116295634.db2.gz UTSIYYNCRQCGSX-FQEVSTJZSA-N 0 1 369.896 4.219 20 30 FIEDMN C[C@@H](NCc1ccc(N2CCCCCC2)nc1)c1ccc(C#N)c(F)c1 ZINC000539608376 1116351724 /nfs/dbraw/zinc/35/17/24/1116351724.db2.gz HWHOKDNSRSHOJC-MRXNPFEDSA-N 0 1 352.457 4.324 20 30 FIEDMN Cc1cc2sc(NCc3cn(C)nc3-c3ccc(C#N)cc3)nc2c(C)c1 ZINC000539758655 1116375933 /nfs/dbraw/zinc/37/59/33/1116375933.db2.gz NVDPJNOARAONGP-UHFFFAOYSA-N 0 1 373.485 4.219 20 30 FIEDMN Cc1[nH]c(-c2cccc(C)c2)[nH+]c1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000540098924 1117870228 /nfs/dbraw/zinc/87/02/28/1117870228.db2.gz LZHCDVIALOJFRQ-MRXNPFEDSA-N 0 1 369.428 4.368 20 30 FIEDMN Cc1[nH]c(-c2cccc(C)c2)[nH+]c1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000540098922 1117870635 /nfs/dbraw/zinc/87/06/35/1117870635.db2.gz LZHCDVIALOJFRQ-INIZCTEOSA-N 0 1 369.428 4.368 20 30 FIEDMN CCC[C@H](NCC(=O)N(CC)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000540360704 1118014022 /nfs/dbraw/zinc/01/40/22/1118014022.db2.gz WKCVQYHXBAUXTK-INIZCTEOSA-N 0 1 356.297 4.186 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@H](c1cnn(C)c1)C(C)(C)C ZINC000540476066 1118076941 /nfs/dbraw/zinc/07/69/41/1118076941.db2.gz QBCFTOYEZFORGP-LJQANCHMSA-N 0 1 372.538 4.014 20 30 FIEDMN C[C@@H](Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)c1ccc(C#N)c(F)c1 ZINC000540787110 1118246950 /nfs/dbraw/zinc/24/69/50/1118246950.db2.gz BSWSZOMLOQRXNN-BRWVUGGUSA-N 0 1 367.468 4.480 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cnn(CC(C)C)c3)n2)cc1 ZINC000541021692 1118356939 /nfs/dbraw/zinc/35/69/39/1118356939.db2.gz XUSXIPAJFOHHKN-KRWDZBQOSA-N 0 1 364.474 4.461 20 30 FIEDMN CC(C)[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1F ZINC000541061068 1118365649 /nfs/dbraw/zinc/36/56/49/1118365649.db2.gz VAKHPCXNMKGNOJ-IXDGSTSKSA-N 0 1 367.896 4.209 20 30 FIEDMN Cc1cc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)on1 ZINC000541073982 1118370350 /nfs/dbraw/zinc/37/03/50/1118370350.db2.gz IZCZQGDNVRVECI-HZPDHXFCSA-N 0 1 374.444 4.200 20 30 FIEDMN CN(Cc1ccc(CC#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000541283286 1118463038 /nfs/dbraw/zinc/46/30/38/1118463038.db2.gz ZJJJVIZUVKVOLD-RTBURBONSA-N 0 1 361.272 4.150 20 30 FIEDMN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000464764975 1118685723 /nfs/dbraw/zinc/68/57/23/1118685723.db2.gz JIRXKXJZAZWDQS-FDDCHVKYSA-N 0 1 363.505 4.401 20 30 FIEDMN N#CCC1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000541951915 1118718553 /nfs/dbraw/zinc/71/85/53/1118718553.db2.gz HYCBUXRCOSRICM-JOCHJYFZSA-N 0 1 353.510 4.050 20 30 FIEDMN Cc1cc(C)c(NC(=O)CNC2(c3cccc(C#N)c3)CC2)c(Cl)c1 ZINC000271805588 1118922689 /nfs/dbraw/zinc/92/26/89/1118922689.db2.gz QBEFZGXGNUIZKE-UHFFFAOYSA-N 0 1 353.853 4.046 20 30 FIEDMN O[C@H](C[C@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000151658758 1118955622 /nfs/dbraw/zinc/95/56/22/1118955622.db2.gz DORWRLDIZRVWMQ-QZTJIDSGSA-N 0 1 363.379 4.238 20 30 FIEDMN O[C@@H](C[C@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000151658831 1118955864 /nfs/dbraw/zinc/95/58/64/1118955864.db2.gz DORWRLDIZRVWMQ-MSOLQXFVSA-N 0 1 363.379 4.238 20 30 FIEDMN CN(Cc1ccc(Cl)s1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491940523 1118995209 /nfs/dbraw/zinc/99/52/09/1118995209.db2.gz NWCWCMNZTUHXJT-UHFFFAOYSA-N 0 1 356.882 4.306 20 30 FIEDMN N#Cc1ccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000031092729 1119243959 /nfs/dbraw/zinc/24/39/59/1119243959.db2.gz VFDNZYBOXBRWEE-IBGZPJMESA-N 0 1 368.868 4.170 20 30 FIEDMN CC(C)c1cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)n(C)n1 ZINC000177603762 1119339669 /nfs/dbraw/zinc/33/96/69/1119339669.db2.gz LJBWIVFLUGGYHJ-CQSZACIVSA-N 0 1 350.447 4.157 20 30 FIEDMN C[C@H](C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)(F)F ZINC000493307178 1119437694 /nfs/dbraw/zinc/43/76/94/1119437694.db2.gz VUMVAJXDOMNENS-HZGVNTEJSA-N 0 1 365.220 4.206 20 30 FIEDMN C=CC[C@H](C)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000494037223 1119529124 /nfs/dbraw/zinc/52/91/24/1119529124.db2.gz GLUIOCYLHAYUSS-ORAYPTAESA-N 0 1 365.445 4.012 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1cccc2[nH]ccc21 ZINC000494136047 1119545716 /nfs/dbraw/zinc/54/57/16/1119545716.db2.gz JEDVQJVLSLVZNH-INIZCTEOSA-N 0 1 367.518 4.265 20 30 FIEDMN Cc1nc(SCC(=O)Nc2ccc(CC#N)cc2)[nH]c1-c1ccccc1 ZINC000187133418 1119769040 /nfs/dbraw/zinc/76/90/40/1119769040.db2.gz SVWSGEMSQLETRI-UHFFFAOYSA-N 0 1 362.458 4.182 20 30 FIEDMN N#Cc1cccc(OC2CCN(CCOc3ccccc3Cl)CC2)c1 ZINC000609194961 1119840874 /nfs/dbraw/zinc/84/08/74/1119840874.db2.gz JRXKRKBCWDIBKR-UHFFFAOYSA-N 0 1 356.853 4.134 20 30 FIEDMN N#Cc1cccc(OC2CCN(CCSc3ccccc3F)CC2)c1 ZINC000609194856 1119841539 /nfs/dbraw/zinc/84/15/39/1119841539.db2.gz AHPCRRDZRJXYSN-UHFFFAOYSA-N 0 1 356.466 4.333 20 30 FIEDMN CCN(CC)[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000609201139 1119854986 /nfs/dbraw/zinc/85/49/86/1119854986.db2.gz YOBIFIJOKNSQIQ-OAQYLSRUSA-N 0 1 365.477 4.391 20 30 FIEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1Br ZINC000192148697 1120029710 /nfs/dbraw/zinc/02/97/10/1120029710.db2.gz CDBJTXQMDOKKAO-LLVKDONJSA-N 0 1 363.230 4.319 20 30 FIEDMN COc1cc([C@@H](C)NCC#Cc2ccccc2)ccc1OCc1ccncc1 ZINC000192151021 1120030166 /nfs/dbraw/zinc/03/01/66/1120030166.db2.gz YALDYRUHDLXIBS-LJQANCHMSA-N 0 1 372.468 4.372 20 30 FIEDMN C#CCOc1cccc(-c2noc(-c3ccc4[nH]c(C(F)F)nc4c3)n2)c1 ZINC000761781521 1120396320 /nfs/dbraw/zinc/39/63/20/1120396320.db2.gz FUSDBWOFGORTSM-UHFFFAOYSA-N 0 1 366.327 4.230 20 30 FIEDMN C=CCOc1ccc(CNC2(C(=O)Nc3ccccc3)CC2)cc1Cl ZINC000495164296 1120515490 /nfs/dbraw/zinc/51/54/90/1120515490.db2.gz NEKOFXDJWAXROU-UHFFFAOYSA-N 0 1 356.853 4.166 20 30 FIEDMN CCc1sc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1Br ZINC000495220537 1120548227 /nfs/dbraw/zinc/54/82/27/1120548227.db2.gz LVIQUKDWYCSPMF-VIFPVBQESA-N 0 1 374.263 4.439 20 30 FIEDMN CCc1sc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1Br ZINC000495220537 1120548235 /nfs/dbraw/zinc/54/82/35/1120548235.db2.gz LVIQUKDWYCSPMF-VIFPVBQESA-N 0 1 374.263 4.439 20 30 FIEDMN CCCC(N=Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000914835872 1120553050 /nfs/dbraw/zinc/55/30/50/1120553050.db2.gz QEEOGVIDTFSSJO-UHFFFAOYSA-N 0 1 350.871 4.360 20 30 FIEDMN Cn1cc(N=NC2CCCc3nc(-c4ccc(Cl)cc4)sc32)cn1 ZINC000761885068 1120564049 /nfs/dbraw/zinc/56/40/49/1120564049.db2.gz MWRKSGYFPCGCNS-UHFFFAOYSA-N 0 1 357.870 4.350 20 30 FIEDMN CC(C)CN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC(C)(C)C ZINC000761972958 1120612213 /nfs/dbraw/zinc/61/22/13/1120612213.db2.gz GJNDMHDULRBCGN-OAHLLOKOSA-N 0 1 357.523 4.477 20 30 FIEDMN C=C(C)COc1cc(CNCc2ccc(OCC)c(F)c2)ccc1OC ZINC000236958695 1120971626 /nfs/dbraw/zinc/97/16/26/1120971626.db2.gz ZQQKYYHTKQAANF-UHFFFAOYSA-N 0 1 359.441 4.478 20 30 FIEDMN CCCCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1OCC ZINC000193610070 1120981880 /nfs/dbraw/zinc/98/18/80/1120981880.db2.gz QRORKENMNOEOCE-SDNWHVSQSA-N 0 1 367.449 4.088 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000542575119 1121001962 /nfs/dbraw/zinc/00/19/62/1121001962.db2.gz ZAPVMMSNKOIKAH-HNNXBMFYSA-N 0 1 358.511 4.031 20 30 FIEDMN N#CC[C@@H](C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1 ZINC001127381803 1121022933 /nfs/dbraw/zinc/02/29/33/1121022933.db2.gz VEMKTOHHXXKBOI-CYBMUJFWSA-N 0 1 358.323 4.218 20 30 FIEDMN N#CC(C(=O)[C@H]1CCCN1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000763041401 1121096749 /nfs/dbraw/zinc/09/67/49/1121096749.db2.gz MUVJQRBVZGRXND-SIKLNZKXSA-N 0 1 355.441 4.076 20 30 FIEDMN Cn1c(N=NCc2cc(Cl)cc3cccnc32)nnc1-c1ccccc1 ZINC000763168345 1121210825 /nfs/dbraw/zinc/21/08/25/1121210825.db2.gz FVKAZVFLVZXNPV-UHFFFAOYSA-N 0 1 362.824 4.130 20 30 FIEDMN FC(F)(F)c1ccc(N=NCc2ccc(Br)s2)nc1 ZINC000915917457 1121348657 /nfs/dbraw/zinc/34/86/57/1121348657.db2.gz BVZBTDKLWXOMMV-UHFFFAOYSA-N 0 1 350.163 4.370 20 30 FIEDMN Cc1nn(Cc2ccc(C)cc2)c(C)c1C=NNc1nc2ccccc2[nH]1 ZINC000915915671 1121348743 /nfs/dbraw/zinc/34/87/43/1121348743.db2.gz WFORLYOOBIGMMP-UHFFFAOYSA-N 0 1 358.449 4.179 20 30 FIEDMN CCCOc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1OC ZINC000915919126 1121349793 /nfs/dbraw/zinc/34/97/93/1121349793.db2.gz XCOVRPQVSCNGEX-UHFFFAOYSA-N 0 1 353.344 4.344 20 30 FIEDMN O=[N+]([O-])c1ccc(N=NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000915932779 1121354018 /nfs/dbraw/zinc/35/40/18/1121354018.db2.gz AUOMCQHIZJGUJH-UHFFFAOYSA-N 0 1 358.829 4.312 20 30 FIEDMN Cc1cc(O)cc2c1C(=O)C(=NN=C(c1ccccc1)c1ccccc1)O2 ZINC000915936523 1121355171 /nfs/dbraw/zinc/35/51/71/1121355171.db2.gz PWJJZFDTADISGU-UHFFFAOYSA-N 0 1 356.381 4.127 20 30 FIEDMN CCC(N=Nc1ccc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1O ZINC000915969955 1121357930 /nfs/dbraw/zinc/35/79/30/1121357930.db2.gz ZFRSIPWIJVNIAH-UHFFFAOYSA-N 0 1 355.181 4.228 20 30 FIEDMN Cc1ccc(-c2n[nH]cc2C=NNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000915976669 1121359043 /nfs/dbraw/zinc/35/90/43/1121359043.db2.gz XHTFIWLBCJSIML-UHFFFAOYSA-N 0 1 355.785 4.393 20 30 FIEDMN COc1cc(OC)c(C/N=C/c2cc(Cl)cc(Cl)c2O)c(OC)c1 ZINC000915981219 1121362702 /nfs/dbraw/zinc/36/27/02/1121362702.db2.gz OOFOQLUPHHVGNN-DNTJNYDQSA-N 0 1 370.232 4.344 20 30 FIEDMN Clc1cccc(N2CCCC2)c1C=[NH+][N-]c1ncnc2ccsc21 ZINC000763358142 1121420465 /nfs/dbraw/zinc/42/04/65/1121420465.db2.gz OTPFQQWMWMNJJF-UHFFFAOYSA-N 0 1 357.870 4.391 20 30 FIEDMN O=C([O-])c1cc(N[NH+]=Cc2ccccc2N2CCCCC2)ccc1Cl ZINC000916259876 1121454767 /nfs/dbraw/zinc/45/47/67/1121454767.db2.gz TZBYLVRYKFILKC-UHFFFAOYSA-N 0 1 357.841 4.475 20 30 FIEDMN C(=[NH+][N-]c1nc(-c2ccccc2)cs1)c1ccc(N2CCOCC2)cc1 ZINC000916545798 1121538577 /nfs/dbraw/zinc/53/85/77/1121538577.db2.gz YZTAGZRCGXBATP-UHFFFAOYSA-N 0 1 364.474 4.093 20 30 FIEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000916913614 1121932979 /nfs/dbraw/zinc/93/29/79/1121932979.db2.gz XWIKVWWFBOZZDU-WOPDTQHZSA-N 0 1 372.774 4.356 20 30 FIEDMN N#CC(C(=O)CCC1CCCCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000916936427 1121936401 /nfs/dbraw/zinc/93/64/01/1121936401.db2.gz KJMJJAVVGWJCNX-AWEZNQCLSA-N 0 1 350.821 4.487 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)CC(C)(C)C)cc1Cl ZINC000916940897 1121961738 /nfs/dbraw/zinc/96/17/38/1121961738.db2.gz OICBWQGDIOUFPA-GXTWGEPZSA-N 0 1 364.873 4.458 20 30 FIEDMN CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 ZINC000066814116 1122098456 /nfs/dbraw/zinc/09/84/56/1122098456.db2.gz WUDZAVJNMWGFCP-ZDUSSCGKSA-N 0 1 374.487 4.084 20 30 FIEDMN CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000066814231 1122099165 /nfs/dbraw/zinc/09/91/65/1122099165.db2.gz VUWZNUVCZKVWBE-CYBMUJFWSA-N 0 1 374.487 4.084 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000154282871 1122152937 /nfs/dbraw/zinc/15/29/37/1122152937.db2.gz UMPMEVZAVHSUMC-OAHLLOKOSA-N 0 1 351.406 4.050 20 30 FIEDMN CCN(CC(=O)N[C@@H](c1ccccc1)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594123 1122302602 /nfs/dbraw/zinc/30/26/02/1122302602.db2.gz QKGINSUQURTSMK-FDDCHVKYSA-N 0 1 363.505 4.455 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CN[C@H]2CCc3c2cc(F)cc3F)ccc1OC ZINC000154691815 1122611216 /nfs/dbraw/zinc/61/12/16/1122611216.db2.gz LWKRKXITYHCNLZ-BEFAXECRSA-N 0 1 372.415 4.431 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000154708612 1122618911 /nfs/dbraw/zinc/61/89/11/1122618911.db2.gz FEYJDYIPDGVDSX-QGZVFWFLSA-N 0 1 362.429 4.478 20 30 FIEDMN COc1ccc(CN(C)Cc2ccc(F)c(F)c2)cc1OCCCC#N ZINC000130470657 1122851068 /nfs/dbraw/zinc/85/10/68/1122851068.db2.gz YAFTYYBAUNMMSU-UHFFFAOYSA-N 0 1 360.404 4.288 20 30 FIEDMN N#CC1(c2ccc(COC(=O)c3ccc(CN4CCCCC4)o3)cc2)CC1 ZINC001127466121 1122904022 /nfs/dbraw/zinc/90/40/22/1122904022.db2.gz WHZGLMUSGZBSBA-UHFFFAOYSA-N 0 1 364.445 4.178 20 30 FIEDMN CCN(CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1C ZINC000072561952 1123088507 /nfs/dbraw/zinc/08/85/07/1123088507.db2.gz QTTUSQQMONDKTL-UHFFFAOYSA-N 0 1 353.491 4.071 20 30 FIEDMN Cc1ccc(C[C@H](C)N(C)CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000072667035 1123117468 /nfs/dbraw/zinc/11/74/68/1123117468.db2.gz UPQYTCYPIAINFK-KRWDZBQOSA-N 0 1 367.518 4.112 20 30 FIEDMN C=CC[NH+](CC=C)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000073123684 1123198451 /nfs/dbraw/zinc/19/84/51/1123198451.db2.gz HJGPAGILRJZNPI-UHFFFAOYSA-N 0 1 367.474 4.247 20 30 FIEDMN C=CCOc1ccc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1Cl ZINC000557029215 1123323798 /nfs/dbraw/zinc/32/37/98/1123323798.db2.gz YNNBDDZROCGJCH-INIZCTEOSA-N 0 1 372.900 4.280 20 30 FIEDMN Cc1cc(C)cc(OCC(=O)C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000920269686 1123427479 /nfs/dbraw/zinc/42/74/79/1123427479.db2.gz XSHKYYYBDLSNHD-KRWDZBQOSA-N 0 1 363.442 4.077 20 30 FIEDMN Cc1ccc(OCc2nc(CN=Nc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000920357956 1123447112 /nfs/dbraw/zinc/44/71/12/1123447112.db2.gz ZCDRAKPGOQXHDR-UHFFFAOYSA-N 0 1 368.418 4.385 20 30 FIEDMN CCN(CCO)c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000920945718 1123540297 /nfs/dbraw/zinc/54/02/97/1123540297.db2.gz BIZCKUXFUVMVFH-UHFFFAOYSA-N 0 1 353.249 4.268 20 30 FIEDMN C#CCOc1ccccc1CN[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000920956488 1123541526 /nfs/dbraw/zinc/54/15/26/1123541526.db2.gz FAPNLBJAMCSICO-QGZVFWFLSA-N 0 1 353.462 4.347 20 30 FIEDMN N#CC(C(=O)Cc1ccc(-c2ccccc2)cc1)c1nnc2n1CCCCC2 ZINC000920968873 1123547202 /nfs/dbraw/zinc/54/72/02/1123547202.db2.gz ZVICPLWPKGOPJI-HXUWFJFHSA-N 0 1 370.456 4.090 20 30 FIEDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3SCCc4ccccc43)n2)cc1 ZINC000080206797 1123958277 /nfs/dbraw/zinc/95/82/77/1123958277.db2.gz MRLFAMNNKCJDNJ-MRXNPFEDSA-N 0 1 350.447 4.399 20 30 FIEDMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C=Cc1ccc(Cl)nc1 ZINC000179784737 1124075240 /nfs/dbraw/zinc/07/52/40/1124075240.db2.gz HKQUBSMEGOENDY-PMGBHYCQSA-N 0 1 363.804 4.130 20 30 FIEDMN N#Cc1ccc(NC[C@H](c2ccccc2)N2CCc3sccc3C2)cn1 ZINC000301530884 1124240209 /nfs/dbraw/zinc/24/02/09/1124240209.db2.gz RWKUBAAJFXTCKE-HXUWFJFHSA-N 0 1 360.486 4.226 20 30 FIEDMN COc1ccccc1[C@H](CNc1c(C#N)cccc1C#N)N1CCCCC1 ZINC000302862079 1124360995 /nfs/dbraw/zinc/36/09/95/1124360995.db2.gz VUVVHMCPVBNFEK-FQEVSTJZSA-N 0 1 360.461 4.078 20 30 FIEDMN CCCc1c(NCc2[nH]nc3ccccc32)cnn1-c1cccc(C#N)c1 ZINC000615179453 1124537515 /nfs/dbraw/zinc/53/75/15/1124537515.db2.gz OEYJXVYDQIXOEA-UHFFFAOYSA-N 0 1 356.433 4.185 20 30 FIEDMN N#Cc1c(CN2CCC(c3nc4ccccc4[nH]3)CC2)cn2ccccc12 ZINC000109765245 1124593359 /nfs/dbraw/zinc/59/33/59/1124593359.db2.gz OJBRZGDXHVETOJ-UHFFFAOYSA-N 0 1 355.445 4.067 20 30 FIEDMN N#Cc1nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)ccc1Cl ZINC000111106733 1124840090 /nfs/dbraw/zinc/84/00/90/1124840090.db2.gz FNOXLZMQSBSKOG-UHFFFAOYSA-N 0 1 361.276 4.337 20 30 FIEDMN CC(C)[C@](C)(C#N)NC(=O)CN([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000250689616 1124925749 /nfs/dbraw/zinc/92/57/49/1124925749.db2.gz JAQFJPUIARPTIJ-HXOBKFHXSA-N 0 1 363.505 4.420 20 30 FIEDMN CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665093 1125012573 /nfs/dbraw/zinc/01/25/73/1125012573.db2.gz OWLLHCHCBMUHDY-UZLBHIALSA-N 0 1 371.506 4.144 20 30 FIEDMN C[C@H](NCc1ccccc1OCC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000182009487 1125213839 /nfs/dbraw/zinc/21/38/39/1125213839.db2.gz SQYOTGFRDCQNFB-AWEZNQCLSA-N 0 1 364.367 4.381 20 30 FIEDMN Cc1[nH]n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1CCC#N ZINC000601940105 567881334 /nfs/dbraw/zinc/88/13/34/567881334.db2.gz RHOYRAIUNNXRKZ-LBPRGKRZSA-N 0 1 363.261 4.367 20 30 FIEDMN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(Oc2ccc(F)cc2)n1 ZINC000602697192 568016487 /nfs/dbraw/zinc/01/64/87/568016487.db2.gz DLFUQZNAGPYTQS-MRXNPFEDSA-N 0 1 369.440 4.202 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)nn1C(C)(C)C ZINC000051656470 568139929 /nfs/dbraw/zinc/13/99/29/568139929.db2.gz RTWBDFZHQJIXFN-GFCCVEGCSA-N 0 1 371.391 4.181 20 30 FIEDMN COc1ccc2nc(C3CC3)cc(C(=O)C(C#N)c3nc(C)cs3)c2c1 ZINC000152002592 568279312 /nfs/dbraw/zinc/27/93/12/568279312.db2.gz YWVRLKMQNCSRLA-INIZCTEOSA-N 0 1 363.442 4.376 20 30 FIEDMN COc1ccc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc(C)cs3)c2c1 ZINC000152002592 568279313 /nfs/dbraw/zinc/27/93/13/568279313.db2.gz YWVRLKMQNCSRLA-INIZCTEOSA-N 0 1 363.442 4.376 20 30 FIEDMN CC(C)CCN1Cc2cccc(NC(=O)[C@]3(C#N)CC34CCCC4)c2C1 ZINC000563145733 568295124 /nfs/dbraw/zinc/29/51/24/568295124.db2.gz VDWAGJJTMUMKFL-JOCHJYFZSA-N 0 1 351.494 4.461 20 30 FIEDMN C[C@@H]1CN(Cc2cccc(N[C@H]3CCc4ccc(C#N)cc43)c2)C[C@@H](C)O1 ZINC000569294131 568342278 /nfs/dbraw/zinc/34/22/78/568342278.db2.gz JCKMHQLSGUJKNP-QZMQVMSPSA-N 0 1 361.489 4.267 20 30 FIEDMN COc1cccc(CN(C)CCOCc2ccc(C#N)cc2)c1OC(C)C ZINC000569649922 568407205 /nfs/dbraw/zinc/40/72/05/568407205.db2.gz DRNBRTOYRMDGBX-UHFFFAOYSA-N 0 1 368.477 4.003 20 30 FIEDMN N#Cc1ccc(CN2CC[C@H](n3ncc4ccccc43)C2)c(C(F)(F)F)c1 ZINC000569895773 568434599 /nfs/dbraw/zinc/43/45/99/568434599.db2.gz SPUHRFLJGRLUNY-KRWDZBQOSA-N 0 1 370.378 4.374 20 30 FIEDMN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc(Br)cn1 ZINC000619512545 1125608902 /nfs/dbraw/zinc/60/89/02/1125608902.db2.gz DTLRDQOUOBNOLB-CYBMUJFWSA-N 0 1 358.283 4.496 20 30 FIEDMN Cc1cc([C@H]2CCCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)C2)[nH]n1 ZINC000619746309 1125690029 /nfs/dbraw/zinc/69/00/29/1125690029.db2.gz LNNUAWSICAQUHQ-LBPRGKRZSA-N 0 1 369.831 4.315 20 30 FIEDMN COc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1OC(F)F ZINC000619749149 1125691068 /nfs/dbraw/zinc/69/10/68/1125691068.db2.gz ZTNKZXSUUVMYFQ-UHFFFAOYSA-N 0 1 352.768 4.111 20 30 FIEDMN CC(C)(C)OC(=O)c1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619847288 1125714683 /nfs/dbraw/zinc/71/46/83/1125714683.db2.gz OFUZNCBOWZDNDK-UHFFFAOYSA-N 0 1 356.853 4.457 20 30 FIEDMN N#CC(C(=O)C1(c2ccc(Br)cc2)CCC1)c1ccccn1 ZINC000049457391 1079534170 /nfs/dbraw/zinc/53/41/70/1079534170.db2.gz BZZZESBJBJKNNA-OAHLLOKOSA-N 0 1 355.235 4.142 20 30 FIEDMN CN(C)Cc1ccnc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1 ZINC000183155885 1125762130 /nfs/dbraw/zinc/76/21/30/1125762130.db2.gz BHDXNHNYKAHYLK-UHFFFAOYSA-N 0 1 372.428 4.059 20 30 FIEDMN N#CCCN(C(=O)CN1CCC2(C1)CCCCC2)c1cccc(Cl)c1 ZINC000610216762 1079993985 /nfs/dbraw/zinc/99/39/85/1079993985.db2.gz QDXMHYQVCDGGJY-UHFFFAOYSA-N 0 1 359.901 4.243 20 30 FIEDMN N#CC(C(=O)C=CSCc1ccco1)c1nc(-c2ccncc2)cs1 ZINC000254966465 1080105592 /nfs/dbraw/zinc/10/55/92/1080105592.db2.gz DMWMCTOGOQLAHU-HMZQOCAUSA-N 0 1 367.455 4.421 20 30 FIEDMN CCCN1C(=O)N=NC1SCc1ccc(-c2ccccc2C#N)cc1 ZINC000023453112 1080187994 /nfs/dbraw/zinc/18/79/94/1080187994.db2.gz DDTQHSINYJDZBS-UHFFFAOYSA-N 0 1 350.447 4.225 20 30 FIEDMN COc1ccc([C@@H](NCCCC#N)c2ccccc2)cc1Br ZINC000109328474 1080289257 /nfs/dbraw/zinc/28/92/57/1080289257.db2.gz LJIVBJGPGPVATD-SFHVURJKSA-N 0 1 359.267 4.440 20 30 FIEDMN C=CCSCCN[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000180221114 1080466824 /nfs/dbraw/zinc/46/68/24/1080466824.db2.gz ICXIZSFDDBRROT-FQEVSTJZSA-N 0 1 370.518 4.192 20 30 FIEDMN COC(=O)[C@@H](C)CN(CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC001167280080 1080956819 /nfs/dbraw/zinc/95/68/19/1080956819.db2.gz TWETXOXWPAHFQK-KRWDZBQOSA-N 0 1 355.865 4.003 20 30 FIEDMN N#Cc1ccc(CNCc2cn(C3CCCC3)nc2-c2ccccn2)s1 ZINC000579941112 1081148940 /nfs/dbraw/zinc/14/89/40/1081148940.db2.gz MQACGMMYIUMVJS-UHFFFAOYSA-N 0 1 363.490 4.283 20 30 FIEDMN O=C(Cc1cccs1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000063497529 1081367501 /nfs/dbraw/zinc/36/75/01/1081367501.db2.gz GDTCNECBTCAVHW-UHFFFAOYSA-N 0 1 363.240 4.126 20 30 FIEDMN CC(=O)c1ccc(C#N)cc1N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000580265853 1081787685 /nfs/dbraw/zinc/78/76/85/1081787685.db2.gz NIHBAJBDLXCVAD-KRWDZBQOSA-N 0 1 358.445 4.330 20 30 FIEDMN N#Cc1ccc(C(F)(F)F)c(NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000548116418 1082036060 /nfs/dbraw/zinc/03/60/60/1082036060.db2.gz HMTSEXGPSGUSJY-UHFFFAOYSA-N 0 1 361.302 4.113 20 30 FIEDMN N#Cc1ccc(C(F)(F)F)c(NCc2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000548116418 1082036063 /nfs/dbraw/zinc/03/60/63/1082036063.db2.gz HMTSEXGPSGUSJY-UHFFFAOYSA-N 0 1 361.302 4.113 20 30 FIEDMN CCCOc1ccc(C(C)(C)NCc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000580648162 1082062052 /nfs/dbraw/zinc/06/20/52/1082062052.db2.gz DDCRYVHIXUFOJP-UHFFFAOYSA-N 0 1 353.422 4.280 20 30 FIEDMN C=CCN1C(=O)CC[C@]12CCCN(Cc1c(F)cccc1Cl)[C@@H]2CC ZINC001203399891 1082095659 /nfs/dbraw/zinc/09/56/59/1082095659.db2.gz RKNBIHHXVIXGAR-QUCCMNQESA-N 0 1 364.892 4.401 20 30 FIEDMN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1c(F)cccc1Cl)C2 ZINC001203400259 1082134934 /nfs/dbraw/zinc/13/49/34/1082134934.db2.gz VWWJHICIAWEPKX-MOPGFXCFSA-N 0 1 353.865 4.053 20 30 FIEDMN Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccc(C#N)cc1F ZINC000177859263 1082238070 /nfs/dbraw/zinc/23/80/70/1082238070.db2.gz POEJEXVKIBKWPW-LBPRGKRZSA-N 0 1 352.438 4.375 20 30 FIEDMN N#CC(C(=O)c1coc2c1C(=O)CCC2)c1nc2ccccc2n1C(F)F ZINC000581173746 1082358190 /nfs/dbraw/zinc/35/81/90/1082358190.db2.gz KCXDNUHXTKSLRV-SNVBAGLBSA-N 0 1 369.327 4.033 20 30 FIEDMN C=C[C@H](CC)CC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001266812588 1082859029 /nfs/dbraw/zinc/85/90/29/1082859029.db2.gz QHSZETJRRSJNTK-MUKKUYKPSA-N 0 1 352.881 4.190 20 30 FIEDMN Cc1nc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2[nH]1 ZINC000051226872 1082909015 /nfs/dbraw/zinc/90/90/15/1082909015.db2.gz CWNMCCMQFVWKNE-UHFFFAOYSA-N 0 1 372.384 4.167 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](CC#N)c3ccccc3)[nH]c2c1 ZINC001125541813 1082996702 /nfs/dbraw/zinc/99/67/02/1082996702.db2.gz UBJPKVZQFLVTHE-PXNSSMCTSA-N 0 1 358.445 4.232 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H](CC#N)c3ccccc3)[nH]c2c1 ZINC001125541812 1082996860 /nfs/dbraw/zinc/99/68/60/1082996860.db2.gz UBJPKVZQFLVTHE-FXAWDEMLSA-N 0 1 358.445 4.232 20 30 FIEDMN C=CCn1c(SCc2n[nH]c(C(C)(C)C)n2)nnc1-c1ccc(C)cc1 ZINC000430991419 1083289968 /nfs/dbraw/zinc/28/99/68/1083289968.db2.gz YOWHUQYEEZRDGP-UHFFFAOYSA-N 0 1 368.510 4.147 20 30 FIEDMN N#CC(C(=O)c1ccc(F)c(Br)c1)c1nc(C2CC2)cs1 ZINC000647378387 1083368236 /nfs/dbraw/zinc/36/82/36/1083368236.db2.gz VHJZZERNTHYGTI-JTQLQIEISA-N 0 1 365.227 4.412 20 30 FIEDMN CCCN(CC)c1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000647379056 1083370292 /nfs/dbraw/zinc/37/02/92/1083370292.db2.gz ZFVWRTYQWUDUSG-OAHLLOKOSA-N 0 1 354.479 4.142 20 30 FIEDMN C=C(C)CN(CC)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000016338898 1083408772 /nfs/dbraw/zinc/40/87/72/1083408772.db2.gz STIWGEAOQBQEMF-OAQYLSRUSA-N 0 1 356.897 4.444 20 30 FIEDMN Cc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)cc2F)c(Cl)c1 ZINC000610812758 1083724873 /nfs/dbraw/zinc/72/48/73/1083724873.db2.gz PACFPJJNBLGYMK-CYBMUJFWSA-N 0 1 359.832 4.166 20 30 FIEDMN N#Cc1ccc(CN[C@H]2CCc3c2cc(Br)cc3F)c(F)c1 ZINC000610812589 1083725078 /nfs/dbraw/zinc/72/50/78/1083725078.db2.gz MATTYKNFHLENSL-KRWDZBQOSA-N 0 1 363.205 4.376 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1cccc(C#N)c1 ZINC000610830342 1083745294 /nfs/dbraw/zinc/74/52/94/1083745294.db2.gz NJLPJXLSCKCLSL-KBPBESRZSA-N 0 1 351.841 4.204 20 30 FIEDMN CCN(CCc1ccccc1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472424779 1083759968 /nfs/dbraw/zinc/75/99/68/1083759968.db2.gz KCLCKIIZNUFDEJ-UHFFFAOYSA-N 0 1 359.473 4.302 20 30 FIEDMN C=CCc1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc(OC)c1O ZINC000535839228 1083796334 /nfs/dbraw/zinc/79/63/34/1083796334.db2.gz ZWOPHTLMIYDHDR-UHFFFAOYSA-N 0 1 360.457 4.290 20 30 FIEDMN C[C@H](NCC(=O)N[C@@H](c1ccccc1)C1CCCC1)c1ccc(C#N)cc1 ZINC000548936653 1083861121 /nfs/dbraw/zinc/86/11/21/1083861121.db2.gz WRJZYHLLLOQPNX-SBUREZEXSA-N 0 1 361.489 4.257 20 30 FIEDMN C[C@@H](NCC(=O)N(Cc1ccco1)c1ccccc1)c1ccc(C#N)cc1 ZINC000548935888 1083865259 /nfs/dbraw/zinc/86/52/59/1083865259.db2.gz ATPCLFDYMQZOQE-QGZVFWFLSA-N 0 1 359.429 4.035 20 30 FIEDMN COc1cc(C=CC(=O)c2[nH]c(-c3ccccc3)nc2C)cc(OC)c1O ZINC000053107184 1083930475 /nfs/dbraw/zinc/93/04/75/1083930475.db2.gz ZOLAWQCLRWQCLH-MDZDMXLPSA-N 0 1 364.401 4.004 20 30 FIEDMN N#Cc1csc(CN[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)n1 ZINC000570324207 1084024625 /nfs/dbraw/zinc/02/46/25/1084024625.db2.gz WWSMEFDCGKFGGQ-GFCCVEGCSA-N 0 1 367.305 4.080 20 30 FIEDMN C[C@@]1(C#N)CCCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C1 ZINC000612758441 1084048209 /nfs/dbraw/zinc/04/82/09/1084048209.db2.gz PJEFRQMLPAQUKY-IBGZPJMESA-N 0 1 350.447 4.057 20 30 FIEDMN COc1cccc([C@@H](C)N2CCN(c3ccc(Cl)cc3C#N)CC2)c1 ZINC000511435568 1084396107 /nfs/dbraw/zinc/39/61/07/1084396107.db2.gz DMCPJGQOJYEAQZ-OAHLLOKOSA-N 0 1 355.869 4.103 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C#N ZINC000066391254 1084429481 /nfs/dbraw/zinc/42/94/81/1084429481.db2.gz ABDQMFIILDRZKC-CHWSQXEVSA-N 0 1 361.367 4.255 20 30 FIEDMN N#Cc1cccc(C2(NCc3cc(Cl)c4c(c3)OCCCO4)CC2)c1 ZINC000551228060 1084578017 /nfs/dbraw/zinc/57/80/17/1084578017.db2.gz VIGAIMQDPZAGNW-UHFFFAOYSA-N 0 1 354.837 4.152 20 30 FIEDMN N#CC(C(=O)CSCc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000066507048 1084590761 /nfs/dbraw/zinc/59/07/61/1084590761.db2.gz QPKFNCXBOANXNT-ZDUSSCGKSA-N 0 1 351.258 4.498 20 30 FIEDMN N#Cc1cccc(COc2ccc(NC(=O)c3cccc(F)c3O)cc2)c1 ZINC001125814335 1084625037 /nfs/dbraw/zinc/62/50/37/1084625037.db2.gz FDTPJVMVEXZUIS-UHFFFAOYSA-N 0 1 362.360 4.234 20 30 FIEDMN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000796660928 1084704451 /nfs/dbraw/zinc/70/44/51/1084704451.db2.gz GNSRXYFAOGIGMS-XLWVJDPXSA-N 0 1 358.463 4.056 20 30 FIEDMN N#CC(C(=O)CCCc1ccc(C2CC2)cc1)c1nnc2n1CCCCC2 ZINC000892550227 1084779231 /nfs/dbraw/zinc/77/92/31/1084779231.db2.gz CMEPHVYMLMOCAW-IBGZPJMESA-N 0 1 362.477 4.081 20 30 FIEDMN COc1ccc(OC)c(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000120018020 1084809443 /nfs/dbraw/zinc/80/94/43/1084809443.db2.gz ZSBFXSOUXGMFAC-ZDUSSCGKSA-N 0 1 372.833 4.457 20 30 FIEDMN COc1cc(CNCc2ccccc2OCc2ccccc2)ccc1C#N ZINC000313627022 1084863323 /nfs/dbraw/zinc/86/33/23/1084863323.db2.gz GNBJMMYINQCMMN-UHFFFAOYSA-N 0 1 358.441 4.436 20 30 FIEDMN COc1cccc(NN=C(C)c2ccc([O-])c(C[NH+]3CCCCC3)c2)c1 ZINC000725854639 1084889397 /nfs/dbraw/zinc/88/93/97/1084889397.db2.gz BFFLAYXWDLERRN-UHFFFAOYSA-N 0 1 353.466 4.223 20 30 FIEDMN CCCOc1cc(C)ccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478357069 1084943312 /nfs/dbraw/zinc/94/33/12/1084943312.db2.gz PWHVBUDIMHKAAX-UHFFFAOYSA-N 0 1 374.488 4.346 20 30 FIEDMN C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000559963607 1084963104 /nfs/dbraw/zinc/96/31/04/1084963104.db2.gz UAAWAHQWYPTWJX-UHFFFAOYSA-N 0 1 372.534 4.401 20 30 FIEDMN N#CC(C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 ZINC000051654596 1084965099 /nfs/dbraw/zinc/96/50/99/1084965099.db2.gz PTRZTZUYCWQYRA-AWEZNQCLSA-N 0 1 367.276 4.084 20 30 FIEDMN N#Cc1ccccc1OC1CCC([NH2+]Cc2c(F)ccc([O-])c2F)CC1 ZINC000511153572 1085105077 /nfs/dbraw/zinc/10/50/77/1085105077.db2.gz AIRQPYDMAIOGPO-UHFFFAOYSA-N 0 1 358.388 4.022 20 30 FIEDMN CC(C)(C#N)c1ccccc1C[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000135114372 1085108716 /nfs/dbraw/zinc/10/87/16/1085108716.db2.gz DSBGNCCDJWHHEX-UHFFFAOYSA-N 0 1 362.473 4.288 20 30 FIEDMN C=CCCn1cc(CN[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000657458929 1085116515 /nfs/dbraw/zinc/11/65/15/1085116515.db2.gz RGUFJFHFICRSSI-HDJSIYSDSA-N 0 1 351.281 4.197 20 30 FIEDMN Cc1cc(Br)cc(C)c1NC(=O)CCCN(C)[C@@H](C)CC#N ZINC000611667605 1085284624 /nfs/dbraw/zinc/28/46/24/1085284624.db2.gz XBPKIODBQOAGDN-AWEZNQCLSA-N 0 1 366.303 4.019 20 30 FIEDMN CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)Cc1ccsc1 ZINC000187776609 1085415463 /nfs/dbraw/zinc/41/54/63/1085415463.db2.gz WICKMQPUDFESDL-LBPRGKRZSA-N 0 1 361.536 4.190 20 30 FIEDMN CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)Cc1ccsc1 ZINC000187776609 1085415473 /nfs/dbraw/zinc/41/54/73/1085415473.db2.gz WICKMQPUDFESDL-LBPRGKRZSA-N 0 1 361.536 4.190 20 30 FIEDMN C#Cc1ccc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)nc1 ZINC000728819062 1085523793 /nfs/dbraw/zinc/52/37/93/1085523793.db2.gz YPOYTSFNJOIBLA-UHFFFAOYSA-N 0 1 374.350 4.137 20 30 FIEDMN C=CCOc1ccc(CN2CCC3(CC2)C(F)(F)C3(F)F)cc1OC ZINC000651902410 1085614315 /nfs/dbraw/zinc/61/43/15/1085614315.db2.gz KFNNZDJVLRYXLK-UHFFFAOYSA-N 0 1 359.363 4.126 20 30 FIEDMN COc1cc(-n2cccc2)c(Cl)cc1C(=O)C(C#N)c1nc(C)cs1 ZINC000102115601 1085644556 /nfs/dbraw/zinc/64/45/56/1085644556.db2.gz MJONZZKJPXLXTR-ZDUSSCGKSA-N 0 1 371.849 4.394 20 30 FIEDMN COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@H](C#N)c1nc(C)cs1 ZINC000102115601 1085644561 /nfs/dbraw/zinc/64/45/61/1085644561.db2.gz MJONZZKJPXLXTR-ZDUSSCGKSA-N 0 1 371.849 4.394 20 30 FIEDMN COc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1Br ZINC000135673454 1085684593 /nfs/dbraw/zinc/68/45/93/1085684593.db2.gz UXSPUALFXMMLFZ-JTQLQIEISA-N 0 1 351.269 4.242 20 30 FIEDMN CC[C@@](C)(OC)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000796669453 1085829020 /nfs/dbraw/zinc/82/90/20/1085829020.db2.gz GIAYZMVZEHZCAH-BMLIUANNSA-N 0 1 350.390 4.080 20 30 FIEDMN FC(F)Oc1ccccc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000237838901 1085919741 /nfs/dbraw/zinc/91/97/41/1085919741.db2.gz LEIMKRRZNZLYHW-UHFFFAOYSA-N 0 1 355.306 4.448 20 30 FIEDMN Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)cc1 ZINC000588559321 1085945826 /nfs/dbraw/zinc/94/58/26/1085945826.db2.gz DGUWQEWPMKWAPZ-YFHOEESVSA-N 0 1 366.804 4.428 20 30 FIEDMN N#C[C@H](c1ccccc1)N1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC001167785375 1085959466 /nfs/dbraw/zinc/95/94/66/1085959466.db2.gz WGHNKWFHLZBYPH-OAQYLSRUSA-N 0 1 353.897 4.155 20 30 FIEDMN CCc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1C ZINC000564505972 1085990194 /nfs/dbraw/zinc/99/01/94/1085990194.db2.gz RVPZADRHTULHDJ-LBPRGKRZSA-N 0 1 371.412 4.479 20 30 FIEDMN CCc1c(C(=O)C(C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1C ZINC000564505972 1085990196 /nfs/dbraw/zinc/99/01/96/1085990196.db2.gz RVPZADRHTULHDJ-LBPRGKRZSA-N 0 1 371.412 4.479 20 30 FIEDMN N#Cc1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)c(OC(F)F)c1 ZINC000583042311 1086069507 /nfs/dbraw/zinc/06/95/07/1086069507.db2.gz VTDCLBOCKUDXON-MRXNPFEDSA-N 0 1 366.795 4.026 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(OCC(F)(F)F)c3)[nH]c21 ZINC000432298645 1086075256 /nfs/dbraw/zinc/07/52/56/1086075256.db2.gz YHSZBELHBOOEEL-AWEZNQCLSA-N 0 1 373.334 4.303 20 30 FIEDMN C=C(C)[C@@H](CC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)OCC ZINC000535920305 1086099366 /nfs/dbraw/zinc/09/93/66/1086099366.db2.gz ZTVMBTBWVXRTAW-IFMALSPDSA-N 0 1 363.461 4.140 20 30 FIEDMN N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000583236225 1086442666 /nfs/dbraw/zinc/44/26/66/1086442666.db2.gz QYFZWQVCQYTPOK-UHFFFAOYSA-N 0 1 369.833 4.074 20 30 FIEDMN N#CC1(c2ccccn2)CCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC000548791645 1086492136 /nfs/dbraw/zinc/49/21/36/1086492136.db2.gz JWDBKXWKLCZVIC-UHFFFAOYSA-N 0 1 354.457 4.201 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)N(CCC#N)c3ccc(F)cc3)[nH]n2)cc1C ZINC000583301697 1086537773 /nfs/dbraw/zinc/53/77/73/1086537773.db2.gz SVLLQSXFQPZQLE-UHFFFAOYSA-N 0 1 362.408 4.393 20 30 FIEDMN N#Cc1cccc(CNCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1 ZINC000512030753 1086668438 /nfs/dbraw/zinc/66/84/38/1086668438.db2.gz KYHOQJYRMKTBMS-UHFFFAOYSA-N 0 1 356.351 4.053 20 30 FIEDMN CC(C)n1ncc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000161899214 1086978534 /nfs/dbraw/zinc/97/85/34/1086978534.db2.gz LUXWMARYXHMFTR-CYBMUJFWSA-N 0 1 362.355 4.245 20 30 FIEDMN CC(C)n1ncc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000161899214 1086978538 /nfs/dbraw/zinc/97/85/38/1086978538.db2.gz LUXWMARYXHMFTR-CYBMUJFWSA-N 0 1 362.355 4.245 20 30 FIEDMN COc1cc(CNCc2ccc(OC(F)F)c(Cl)c2)ccc1C#N ZINC000573169987 1087243833 /nfs/dbraw/zinc/24/38/33/1087243833.db2.gz BSPPXHNZBSTZMH-UHFFFAOYSA-N 0 1 352.768 4.111 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000176822942 1087278439 /nfs/dbraw/zinc/27/84/39/1087278439.db2.gz BUUPZQHTQSUEIZ-UHFFFAOYSA-N 0 1 363.417 4.035 20 30 FIEDMN N#Cc1ccc(CNCc2ccccc2OC(F)F)c(C(F)(F)F)c1 ZINC000584380057 1087309229 /nfs/dbraw/zinc/30/92/29/1087309229.db2.gz IDTNSUNSVRCPSN-UHFFFAOYSA-N 0 1 356.294 4.468 20 30 FIEDMN CCCN(CCC)c1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1 ZINC000588611133 1087466314 /nfs/dbraw/zinc/46/63/14/1087466314.db2.gz IYBRDZKNAWTIMZ-SQFISAMPSA-N 0 1 350.466 4.137 20 30 FIEDMN COc1cc(CN[C@H](C)c2cccnc2)ccc1OCc1cccc(C#N)c1 ZINC000611932093 1087589558 /nfs/dbraw/zinc/58/95/58/1087589558.db2.gz HPBYPEAOTNAPHL-QGZVFWFLSA-N 0 1 373.456 4.392 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccccc1C#N ZINC000180888790 1088139011 /nfs/dbraw/zinc/13/90/11/1088139011.db2.gz FPIZGHJSGFDAMP-DLBZAZTESA-N 0 1 370.456 4.298 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(-c2ccncc2)cc1 ZINC000180888773 1088139370 /nfs/dbraw/zinc/13/93/70/1088139370.db2.gz FPIZGHJSGFDAMP-SJORKVTESA-N 0 1 370.456 4.298 20 30 FIEDMN N#Cc1ccc2nc(-c3cnn(-c4ccc(Br)cc4)c3)[nH]c2c1 ZINC000513856645 1088471564 /nfs/dbraw/zinc/47/15/64/1088471564.db2.gz ZIZYEZFUXOLUSJ-UHFFFAOYSA-N 0 1 364.206 4.050 20 30 FIEDMN COc1ccc([C@H](C)NCc2ccc(C#N)cc2F)cc1Br ZINC000120154825 1088495743 /nfs/dbraw/zinc/49/57/43/1088495743.db2.gz RNGKTVHZNGNLFK-NSHDSACASA-N 0 1 363.230 4.319 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Nc3cc(Cl)ccc3Cl)[nH]c21 ZINC000505423877 1088658796 /nfs/dbraw/zinc/65/87/96/1088658796.db2.gz XMQDRUQHAZHQCF-LLVKDONJSA-N 0 1 359.216 4.424 20 30 FIEDMN CC[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)N(C)C ZINC000514073243 1088696586 /nfs/dbraw/zinc/69/65/86/1088696586.db2.gz STCCIHOQWOZATN-KRWDZBQOSA-N 0 1 357.841 4.283 20 30 FIEDMN Cc1nc(C2CCC2)sc1CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000892703845 1088793002 /nfs/dbraw/zinc/79/30/02/1088793002.db2.gz LRLFAMSLDYIMNJ-AWEZNQCLSA-N 0 1 364.474 4.323 20 30 FIEDMN CC(C)C[C@H](N)c1noc(-c2cccc(COc3ccc(C#N)cc3)c2)n1 ZINC000414615879 1088894261 /nfs/dbraw/zinc/89/42/61/1088894261.db2.gz JEJHYDRNFMOUQU-IBGZPJMESA-N 0 1 362.433 4.233 20 30 FIEDMN COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@H](C#N)CCC#N)cc1 ZINC000564651985 1089070089 /nfs/dbraw/zinc/07/00/89/1089070089.db2.gz SIAHJHYSANUVCN-UWJYYQICSA-N 0 1 351.425 4.151 20 30 FIEDMN C=CCC[C@@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccccc1 ZINC000435085988 1089274010 /nfs/dbraw/zinc/27/40/10/1089274010.db2.gz SGICEGXLHFIDFI-MSOLQXFVSA-N 0 1 357.523 4.358 20 30 FIEDMN CCN(CC)[C@@H](CNc1nnc(C)c(C)c1C#N)c1ccccc1Cl ZINC000514693752 1089378543 /nfs/dbraw/zinc/37/85/43/1089378543.db2.gz CRQFOIKPIWYURA-SFHVURJKSA-N 0 1 357.889 4.114 20 30 FIEDMN COc1ccccc1[C@H]1CC[C@@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000515018017 1089724067 /nfs/dbraw/zinc/72/40/67/1089724067.db2.gz FFZAYUHQOJHVOO-OXQOHEQNSA-N 0 1 360.461 4.188 20 30 FIEDMN COc1ccc2oc(C(=O)C(C#N)c3nc4ccccc4n3C)c(C)c2c1 ZINC000122644015 1089814912 /nfs/dbraw/zinc/81/49/12/1089814912.db2.gz ILANCYSNKXKOCM-HNNXBMFYSA-N 0 1 359.385 4.127 20 30 FIEDMN COc1ccc2oc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)c(C)c2c1 ZINC000122644015 1089814941 /nfs/dbraw/zinc/81/49/41/1089814941.db2.gz ILANCYSNKXKOCM-HNNXBMFYSA-N 0 1 359.385 4.127 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)[nH]c21 ZINC000435793771 1089938730 /nfs/dbraw/zinc/93/87/30/1089938730.db2.gz DINBCQHRXRVTTP-CYBMUJFWSA-N 0 1 359.216 4.424 20 30 FIEDMN CC[C@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000783077486 1090118036 /nfs/dbraw/zinc/11/80/36/1090118036.db2.gz RSKFQKSFDUEZCM-UMVBOHGHSA-N 0 1 362.857 4.212 20 30 FIEDMN C[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(O)c1 ZINC000181508401 1090285732 /nfs/dbraw/zinc/28/57/32/1090285732.db2.gz KXQOIOUNGRRJKH-LSDHHAIUSA-N 0 1 369.490 4.076 20 30 FIEDMN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cc4c(s3)CCCCC4)nc21 ZINC000330227395 1090557115 /nfs/dbraw/zinc/55/71/15/1090557115.db2.gz BZNHNDKHDMLENJ-CYBMUJFWSA-N 0 1 350.447 4.087 20 30 FIEDMN C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1OC ZINC000628298395 1090996560 /nfs/dbraw/zinc/99/65/60/1090996560.db2.gz DSFPESAWUYJGNA-CGTJXYLNSA-N 0 1 365.901 4.039 20 30 FIEDMN N#C[C@H](C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 ZINC000644786664 1091005016 /nfs/dbraw/zinc/00/50/16/1091005016.db2.gz NMFQUHLXFSYKGS-SECBINFHSA-N 0 1 353.300 4.272 20 30 FIEDMN N#CC(C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 ZINC000644786664 1091005020 /nfs/dbraw/zinc/00/50/20/1091005020.db2.gz NMFQUHLXFSYKGS-SECBINFHSA-N 0 1 353.300 4.272 20 30 FIEDMN C=C(C)COc1cc(CN2CCC(OC)(C(F)(F)F)CC2)ccc1OC ZINC000418094587 1091058961 /nfs/dbraw/zinc/05/89/61/1091058961.db2.gz RZQQJHVFWAWUNU-UHFFFAOYSA-N 0 1 373.415 4.193 20 30 FIEDMN Cn1c(CN[C@@H]2CCCc3cc(C#N)ccc32)nc2ccc(Cl)cc21 ZINC000418145201 1091080520 /nfs/dbraw/zinc/08/05/20/1091080520.db2.gz MKPHWRMOKOCNSA-QGZVFWFLSA-N 0 1 350.853 4.266 20 30 FIEDMN CSc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000500227903 1091119097 /nfs/dbraw/zinc/11/90/97/1091119097.db2.gz ADGAVXKPZUSXNC-LBPRGKRZSA-N 0 1 359.882 4.223 20 30 FIEDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc(C#N)c(Cl)c2)[nH]1 ZINC000123386251 1091161312 /nfs/dbraw/zinc/16/13/12/1091161312.db2.gz DWTCZQUNFUNTIE-UHFFFAOYSA-N 0 1 365.824 4.372 20 30 FIEDMN CCn1nccc1C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000123686093 1091201589 /nfs/dbraw/zinc/20/15/89/1091201589.db2.gz QRXQHTMKZSAZLV-CYBMUJFWSA-N 0 1 356.838 4.170 20 30 FIEDMN C=CCOc1cccc(CNCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000508344565 1092259370 /nfs/dbraw/zinc/25/93/70/1092259370.db2.gz RNVQKQBVFBSBGI-UHFFFAOYSA-N 0 1 359.853 4.356 20 30 FIEDMN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000438938560 1092613663 /nfs/dbraw/zinc/61/36/63/1092613663.db2.gz VWCNWGZPBZZRKS-SFHVURJKSA-N 0 1 364.836 4.374 20 30 FIEDMN CCOc1ccc(-c2csc(NC(=O)c3ccc(C#N)c(O)c3)n2)cc1 ZINC000442984121 1092906086 /nfs/dbraw/zinc/90/60/86/1092906086.db2.gz ROEAOJKFSFIWSL-UHFFFAOYSA-N 0 1 365.414 4.038 20 30 FIEDMN C=CCN(Cc1ccccc1F)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000617348318 1092911304 /nfs/dbraw/zinc/91/13/04/1092911304.db2.gz VGZFFXMGSLAOHI-UHFFFAOYSA-N 0 1 353.372 4.183 20 30 FIEDMN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000521821601 1092939052 /nfs/dbraw/zinc/93/90/52/1092939052.db2.gz LNFRKRQMHUJLJO-UHFFFAOYSA-N 0 1 354.425 4.222 20 30 FIEDMN CC(C)CN(CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000521821353 1092939357 /nfs/dbraw/zinc/93/93/57/1092939357.db2.gz GAZCNGVRLBDSGG-LJQANCHMSA-N 0 1 363.505 4.236 20 30 FIEDMN CC(C)N(CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000521821528 1092939368 /nfs/dbraw/zinc/93/93/68/1092939368.db2.gz HZTRDGPUXKIZNM-INIZCTEOSA-N 0 1 369.896 4.299 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cc1O ZINC000443123593 1092954612 /nfs/dbraw/zinc/95/46/12/1092954612.db2.gz MOZIOMGMWDBMLN-UHFFFAOYSA-N 0 1 356.381 4.118 20 30 FIEDMN COCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512611181 1092989523 /nfs/dbraw/zinc/98/95/23/1092989523.db2.gz IOEKQETTWFXGHP-CABCVRRESA-N 0 1 372.440 4.143 20 30 FIEDMN C[C@H](NCc1nc2ccc(Br)cc2[nH]1)c1cccc(C#N)c1 ZINC000614178696 1093061928 /nfs/dbraw/zinc/06/19/28/1093061928.db2.gz AOBXFGWEVWGCNZ-NSHDSACASA-N 0 1 355.239 4.048 20 30 FIEDMN CCN(Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000190477425 1093113326 /nfs/dbraw/zinc/11/33/26/1093113326.db2.gz SVEVQLLGJUZEJQ-AWEZNQCLSA-N 0 1 364.449 4.099 20 30 FIEDMN COc1cc(CN[C@H](CCCC#N)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000433028118 1093127848 /nfs/dbraw/zinc/12/78/48/1093127848.db2.gz YDCINYRDXINABD-QGZVFWFLSA-N 0 1 357.385 4.267 20 30 FIEDMN COC(=O)c1ccc(-c2ccc(CNC3(c4cccc(C#N)c4)CC3)o2)cc1 ZINC000614245828 1093288781 /nfs/dbraw/zinc/28/87/81/1093288781.db2.gz XLFKWABMRGPESE-UHFFFAOYSA-N 0 1 372.424 4.384 20 30 FIEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000114674170 1093670537 /nfs/dbraw/zinc/67/05/37/1093670537.db2.gz OYMQYSVLHGWHEP-AWEZNQCLSA-N 0 1 371.487 4.062 20 30 FIEDMN N#Cc1ccccc1CN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513016321 1093671657 /nfs/dbraw/zinc/67/16/57/1093671657.db2.gz HKCIXUMYXWGJEQ-IBGZPJMESA-N 0 1 360.379 4.068 20 30 FIEDMN CN(CCCCc1ccccc1)CC(=O)Nc1ccccc1SCC#N ZINC000053079976 1093750421 /nfs/dbraw/zinc/75/04/21/1093750421.db2.gz DKFUIPUACFNUNW-UHFFFAOYSA-N 0 1 367.518 4.195 20 30 FIEDMN C[N@H+](Cc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1)C1CCCCC1 ZINC000614358489 1093756028 /nfs/dbraw/zinc/75/60/28/1093756028.db2.gz PXSCUSLJAIPYMM-UHFFFAOYSA-N 0 1 363.461 4.281 20 30 FIEDMN C[N@@H+](Cc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1)C1CCCCC1 ZINC000614358489 1093756035 /nfs/dbraw/zinc/75/60/35/1093756035.db2.gz PXSCUSLJAIPYMM-UHFFFAOYSA-N 0 1 363.461 4.281 20 30 FIEDMN Cc1cc(C#N)ccc1CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000614397641 1093814905 /nfs/dbraw/zinc/81/49/05/1093814905.db2.gz LKJHARCRBVOTLJ-OALUTQOASA-N 0 1 361.272 4.264 20 30 FIEDMN CCN(CC(=O)NCc1cccc(C#N)c1)[C@H](C)c1cc2ccccc2o1 ZINC000513386862 1094091641 /nfs/dbraw/zinc/09/16/41/1094091641.db2.gz RFMCFQANNUDJOJ-MRXNPFEDSA-N 0 1 361.445 4.004 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000513416604 1094115900 /nfs/dbraw/zinc/11/59/00/1094115900.db2.gz OVGNBZCFSFPZPY-AWEZNQCLSA-N 0 1 366.490 4.130 20 30 FIEDMN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)s1 ZINC000182732725 1094163051 /nfs/dbraw/zinc/16/30/51/1094163051.db2.gz RJKYFJCEMUZMPF-WFASDCNBSA-N 0 1 359.882 4.119 20 30 FIEDMN N#C[C@H](C(=O)c1csc(-c2cccs2)n1)c1nc2ccccc2[nH]1 ZINC000041495897 1094620351 /nfs/dbraw/zinc/62/03/51/1094620351.db2.gz FBRYLPVATJUYMZ-SNVBAGLBSA-N 0 1 350.428 4.238 20 30 FIEDMN N#CC(C(=O)c1csc(-c2cccs2)n1)c1nc2ccccc2[nH]1 ZINC000041495897 1094620361 /nfs/dbraw/zinc/62/03/61/1094620361.db2.gz FBRYLPVATJUYMZ-SNVBAGLBSA-N 0 1 350.428 4.238 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(OCc3csc(C)n3)c2)n1 ZINC000041517992 1094641890 /nfs/dbraw/zinc/64/18/90/1094641890.db2.gz UMAITFVAMXGTOX-INIZCTEOSA-N 0 1 369.471 4.286 20 30 FIEDMN CC(C)(C)c1ccc(C2(CNC(=O)[C@@H]3CCc4[nH]nnc4C3)CCC2)cc1 ZINC000329048311 1094721850 /nfs/dbraw/zinc/72/18/50/1094721850.db2.gz GITOJTXLRRTAKL-OAHLLOKOSA-N 0 1 366.509 4.286 20 30 FIEDMN CC(C)(C)c1ccc(C2(CNC(=O)[C@@H]3CCc4nn[nH]c4C3)CCC2)cc1 ZINC000329048311 1094721863 /nfs/dbraw/zinc/72/18/63/1094721863.db2.gz GITOJTXLRRTAKL-OAHLLOKOSA-N 0 1 366.509 4.286 20 30 FIEDMN CSc1ccccc1[C@@H](C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000501555712 1094776812 /nfs/dbraw/zinc/77/68/12/1094776812.db2.gz WHQMSRRHFCONBJ-MRXNPFEDSA-N 0 1 353.491 4.006 20 30 FIEDMN O=C(NCC1(Cc2ccccc2)CCCC1)N1CCC(c2cnc[nH]2)CC1 ZINC000329304553 1094829360 /nfs/dbraw/zinc/82/93/60/1094829360.db2.gz XXZCAMMVBUBFIK-UHFFFAOYSA-N 0 1 366.509 4.306 20 30 FIEDMN CC1(C)CC[C@@H]2C[C@H](NC(=O)c3cccn4c(O)nnc34)c3cccc1c32 ZINC000329341258 1094851924 /nfs/dbraw/zinc/85/19/24/1094851924.db2.gz OUJYLGOGYHDWSP-WBMJQRKESA-N 0 1 362.433 4.040 20 30 FIEDMN CCc1nc2ccccc2n1C1CCN(C([O-])=[NH+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000329379718 1094873127 /nfs/dbraw/zinc/87/31/27/1094873127.db2.gz PMWLFYPSIAIRNZ-HUUCEWRRSA-N 0 1 358.461 4.040 20 30 FIEDMN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000329589139 1094985990 /nfs/dbraw/zinc/98/59/90/1094985990.db2.gz ZFUOWLLBUWRXBD-QGTPRVQTSA-N 0 1 368.481 4.183 20 30 FIEDMN CC[C@@H]1C[C@H](C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)CC(=O)N1 ZINC000329633059 1095032334 /nfs/dbraw/zinc/03/23/34/1095032334.db2.gz WYROALUMKOEORR-HWWQOWPSSA-N 0 1 356.426 4.148 20 30 FIEDMN Cc1ncc(CN2CCC(Oc3ccc(C#N)cc3)CC2)n1-c1ccccc1 ZINC000513733035 1095188759 /nfs/dbraw/zinc/18/87/59/1095188759.db2.gz MXKCGEOJIYVFOD-UHFFFAOYSA-N 0 1 372.472 4.096 20 30 FIEDMN Cc1c(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cnn1C1CCCCC1 ZINC000329717831 1095201499 /nfs/dbraw/zinc/20/14/99/1095201499.db2.gz XZXYBZTYODCEFC-NHCUHLMSSA-N 0 1 366.509 4.099 20 30 FIEDMN Cc1cn2c(n1)[C@H](CNC([O-])=[NH+]C1(Cc3ccccc3)CCCC1)CCC2 ZINC000329720281 1095218124 /nfs/dbraw/zinc/21/81/24/1095218124.db2.gz AJNQAPHLJWBROG-IBGZPJMESA-N 0 1 366.509 4.128 20 30 FIEDMN N#Cc1ccc(N2CCC[C@H](N[C@H](CC(F)F)c3ccccc3)C2=O)cc1 ZINC000420998633 1095236151 /nfs/dbraw/zinc/23/61/51/1095236151.db2.gz UDRATTPOKVFECG-RBUKOAKNSA-N 0 1 369.415 4.040 20 30 FIEDMN CCN(CCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1)CC(F)(F)F ZINC000475037843 1095254381 /nfs/dbraw/zinc/25/43/81/1095254381.db2.gz HQVRNWHXLZVPPE-ROUUACIJSA-N 0 1 353.432 4.032 20 30 FIEDMN O=C(N[C@@H]1CC=CCC1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329763170 1095256421 /nfs/dbraw/zinc/25/64/21/1095256421.db2.gz UELPSYXUEAGUSW-IAGOWNOFSA-N 0 1 357.502 4.055 20 30 FIEDMN Cc1ccc(NC(=O)CN2CCCC[C@H]2c2n[nH]c(C(C)C)n2)c(C)c1 ZINC000329783574 1095264322 /nfs/dbraw/zinc/26/43/22/1095264322.db2.gz ORLRELLBGGSTGP-KRWDZBQOSA-N 0 1 355.486 4.360 20 30 FIEDMN CC(C)c1nc([C@H]2CCCCN2CC(=O)Nc2cccc(Cl)c2)n[nH]1 ZINC000329793054 1095266146 /nfs/dbraw/zinc/26/61/46/1095266146.db2.gz VKWNKNYXIIGVPJ-OAHLLOKOSA-N 0 1 361.877 4.397 20 30 FIEDMN CC(C)c1nc([C@@H]2CCCCN2CC(=O)Nc2cccc(Cl)c2)n[nH]1 ZINC000329793053 1095266517 /nfs/dbraw/zinc/26/65/17/1095266517.db2.gz VKWNKNYXIIGVPJ-HNNXBMFYSA-N 0 1 361.877 4.397 20 30 FIEDMN Cc1cc(C)cc(NC(=O)CN2CCCC[C@H]2c2n[nH]c(C(C)C)n2)c1 ZINC000329814556 1095274314 /nfs/dbraw/zinc/27/43/14/1095274314.db2.gz DUYOXNZCMIVNNB-KRWDZBQOSA-N 0 1 355.486 4.360 20 30 FIEDMN CC(C)c1nc([C@@H]2CCCCN2CC(=O)Nc2ccc(F)cc2F)n[nH]1 ZINC000329834033 1095283979 /nfs/dbraw/zinc/28/39/79/1095283979.db2.gz KYYHMNJDDULERT-HNNXBMFYSA-N 0 1 363.412 4.022 20 30 FIEDMN Cc1nc(C)n(C[C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCCCC34CCCC4)C2)n1 ZINC000329831463 1095284061 /nfs/dbraw/zinc/28/40/61/1095284061.db2.gz STQHOSVLFINBIM-RTBURBONSA-N 0 1 373.545 4.024 20 30 FIEDMN Cc1ccc(NC(=O)CN2CCCC[C@H]2c2n[nH]c(C(C)C)n2)c(F)c1 ZINC000329830655 1095284164 /nfs/dbraw/zinc/28/41/64/1095284164.db2.gz JWEMMTYVHYBVTR-INIZCTEOSA-N 0 1 359.449 4.191 20 30 FIEDMN Cc1cccc(NC(=O)CN2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)c1C ZINC000329845809 1095290130 /nfs/dbraw/zinc/29/01/30/1095290130.db2.gz ORTRNJKDJSBWJZ-QGZVFWFLSA-N 0 1 355.486 4.360 20 30 FIEDMN O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1Cc2ccccc2-c2ccccc2C1 ZINC000329896891 1095308095 /nfs/dbraw/zinc/30/80/95/1095308095.db2.gz CQOUISCUQUYIDN-KRWDZBQOSA-N 0 1 372.472 4.042 20 30 FIEDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1coc(C2CCCC2)n1 ZINC000329924724 1095316169 /nfs/dbraw/zinc/31/61/69/1095316169.db2.gz VDNAERYAEXBOFQ-UHFFFAOYSA-N 0 1 371.456 4.441 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+][C@H]2CCCC2(C)C)CC1 ZINC000329940673 1095322679 /nfs/dbraw/zinc/32/26/79/1095322679.db2.gz BTLGPRKMKPGBNK-IBGZPJMESA-N 0 1 354.498 4.474 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC(c2cccc(Cl)c2)CC1 ZINC000329999082 1095344264 /nfs/dbraw/zinc/34/42/64/1095344264.db2.gz UCZNIYJENFLLIW-KRWDZBQOSA-N 0 1 358.873 4.234 20 30 FIEDMN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H](c4cccc(F)c4)C3)C2)c1 ZINC000330031549 1095357414 /nfs/dbraw/zinc/35/74/14/1095357414.db2.gz UEIDMFXPDIYUCC-DFQSSKMNSA-N 0 1 370.472 4.218 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CCC[C@]3(CC=CCC3)C1)CC2 ZINC000330053480 1095363040 /nfs/dbraw/zinc/36/30/40/1095363040.db2.gz QMMAIDSQLREVHS-WIYYLYMNSA-N 0 1 356.514 4.058 20 30 FIEDMN O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)N[C@H]1CCCc2cn[nH]c21 ZINC000330081825 1095374154 /nfs/dbraw/zinc/37/41/54/1095374154.db2.gz PVJXVADAPSGOBF-KGLIPLIRSA-N 0 1 365.264 4.285 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000330082910 1095374234 /nfs/dbraw/zinc/37/42/34/1095374234.db2.gz QIAXOLWFDKSJGI-KRWDZBQOSA-N 0 1 358.873 4.234 20 30 FIEDMN Cc1ccc(CNC(=O)C2CCN(CC(=O)NC3CCCCC3)CC2)cc1 ZINC000330094335 1095378546 /nfs/dbraw/zinc/37/85/46/1095378546.db2.gz SROCCQFEYMOLOZ-UHFFFAOYSA-N 0 1 371.525 4.453 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000330134520 1095390515 /nfs/dbraw/zinc/39/05/15/1095390515.db2.gz MKRGFGJZJFUIKU-HNNXBMFYSA-N 0 1 365.264 4.066 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000330143118 1095392197 /nfs/dbraw/zinc/39/21/97/1095392197.db2.gz QYAPWMOETFQICH-GOSISDBHSA-N 0 1 374.435 4.424 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCC[C@H](c2ccccc2)C1)N1CCC(n2ccnc2)CC1 ZINC000330187772 1095410014 /nfs/dbraw/zinc/41/00/14/1095410014.db2.gz UBCDVGCWDRVIEO-RBUKOAKNSA-N 0 1 352.482 4.160 20 30 FIEDMN CN1CCCN(C(=O)c2ccccc2NC(=O)CC2CCCCCC2)CC1 ZINC000330204354 1095416875 /nfs/dbraw/zinc/41/68/75/1095416875.db2.gz BNIZMJKCSFSIMN-UHFFFAOYSA-N 0 1 371.525 4.413 20 30 FIEDMN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cc4c(s3)CCCCCC4)nc21 ZINC000330262931 1095439704 /nfs/dbraw/zinc/43/97/04/1095439704.db2.gz VVYJLWPVKITUIF-CQSZACIVSA-N 0 1 364.474 4.477 20 30 FIEDMN Cc1cc(N2CCOCC2)ccc1NC([O-])=[NH+][C@@H]1C[C@H]1C1CCCCC1 ZINC000330324182 1095508959 /nfs/dbraw/zinc/50/89/59/1095508959.db2.gz IGFJUAIWTJRXCC-AZUAARDMSA-N 0 1 357.498 4.126 20 30 FIEDMN CC(C)(C)c1nn(Cc2ccccc2)cc1CNCc1ccc(C#N)s1 ZINC000421356540 1095547699 /nfs/dbraw/zinc/54/76/99/1095547699.db2.gz XMHVCMGTCLZFRN-UHFFFAOYSA-N 0 1 364.518 4.452 20 30 FIEDMN Cc1cccc(CN(CCC(=O)Nc2cccc(C#N)c2)Cc2ccco2)c1 ZINC000444026119 1095621547 /nfs/dbraw/zinc/62/15/47/1095621547.db2.gz WOJSUDVAACTDBP-UHFFFAOYSA-N 0 1 373.456 4.491 20 30 FIEDMN CC(C)Cc1ncc(CN2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000513750214 1095677232 /nfs/dbraw/zinc/67/72/32/1095677232.db2.gz CWDYPPDFBSYQFV-UHFFFAOYSA-N 0 1 355.507 4.257 20 30 FIEDMN COc1ccccc1[C@@H](CNc1ccc(Br)cc1C#N)N(C)C ZINC000522900700 1095860339 /nfs/dbraw/zinc/86/03/39/1095860339.db2.gz SVBXBYPASBJUFD-QGZVFWFLSA-N 0 1 374.282 4.044 20 30 FIEDMN N#Cc1cccc(NC[C@H](c2ccccc2)N2CCc3sccc3C2)n1 ZINC000522932600 1095901310 /nfs/dbraw/zinc/90/13/10/1095901310.db2.gz BMGSJBBUYWXIEH-LJQANCHMSA-N 0 1 360.486 4.226 20 30 FIEDMN N#Cc1ccc(CN[C@H]2CCCOc3ccc(Br)cc32)s1 ZINC000421848724 1095969799 /nfs/dbraw/zinc/96/97/99/1095969799.db2.gz ANDMXZJZCDKTPT-HNNXBMFYSA-N 0 1 363.280 4.386 20 30 FIEDMN C=CCOc1cccc(NC(=O)c2cc(Br)cc3nc[nH]c32)c1 ZINC000503145886 1096102112 /nfs/dbraw/zinc/10/21/12/1096102112.db2.gz WUXPMHQFXLUZJW-UHFFFAOYSA-N 0 1 372.222 4.143 20 30 FIEDMN CC1(C#N)CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000272485015 1096185214 /nfs/dbraw/zinc/18/52/14/1096185214.db2.gz CWINNRJJEMHQJX-UHFFFAOYSA-N 0 1 357.461 4.060 20 30 FIEDMN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000504009714 1096626597 /nfs/dbraw/zinc/62/65/97/1096626597.db2.gz ZLLZQFOBMXUNEF-MRXNPFEDSA-N 0 1 373.422 4.456 20 30 FIEDMN Cc1cc(N2CCCCCC2)ccc1N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000504414610 1096771990 /nfs/dbraw/zinc/77/19/90/1096771990.db2.gz CTTZDXIBIVQPDU-AVRDEDQJSA-N 0 1 370.541 4.230 20 30 FIEDMN CCCN(CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](CC)c1ccccc1 ZINC000533147843 1098819648 /nfs/dbraw/zinc/81/96/48/1098819648.db2.gz ZOJRUZNSXGRXEG-NRFANRHFSA-N 0 1 370.518 4.195 20 30 FIEDMN C=CCOc1ccc(CNC2(c3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000533200976 1098876792 /nfs/dbraw/zinc/87/67/92/1098876792.db2.gz BJEHOPXKJWRNBD-UHFFFAOYSA-N 0 1 357.837 4.412 20 30 FIEDMN CC(N=Nc1ccc(Cl)cc1Cl)c1cccc(NS(C)(=O)=O)c1 ZINC000729816348 1099698477 /nfs/dbraw/zinc/69/84/77/1099698477.db2.gz IMYPXAPRDDQNRS-UHFFFAOYSA-N 0 1 372.277 4.201 20 30 FIEDMN Cc1cc(OC[C@H](O)CN2CCC(C)(C#N)CC2)c(C(C)C)cc1Cl ZINC000506033494 1099809832 /nfs/dbraw/zinc/80/98/32/1099809832.db2.gz XZCYGWJGUHJUOX-MRXNPFEDSA-N 0 1 364.917 4.137 20 30 FIEDMN N#Cc1ccc(Cl)c(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000508720216 1099908184 /nfs/dbraw/zinc/90/81/84/1099908184.db2.gz QHHSASAGGZPOTE-KRWDZBQOSA-N 0 1 366.808 4.192 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(-n2cccn2)c(F)c1 ZINC000517401659 1100339129 /nfs/dbraw/zinc/33/91/29/1100339129.db2.gz XPGJDDNSUXWWSJ-KGLIPLIRSA-N 0 1 352.388 4.434 20 30 FIEDMN FC(F)(F)[C@@H]1CCN(CC#Cc2cccc(Cl)c2)CC12CCOCC2 ZINC000459651966 1100393451 /nfs/dbraw/zinc/39/34/51/1100393451.db2.gz BEIMRSIOGBITRK-QGZVFWFLSA-N 0 1 371.830 4.373 20 30 FIEDMN C[C@@]1(c2ccccc2)CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000438484729 1100686130 /nfs/dbraw/zinc/68/61/30/1100686130.db2.gz BNESMMZMZZMHPX-XMMPIXPASA-N 0 1 371.484 4.401 20 30 FIEDMN COc1cnccc1[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000438477776 1100691492 /nfs/dbraw/zinc/69/14/92/1100691492.db2.gz MKNYEYMIWDVMBR-QGZVFWFLSA-N 0 1 373.456 4.392 20 30 FIEDMN N#Cc1ccc(CN2CCCN(Cc3cc(Cl)ccc3F)CC2)cc1 ZINC000506267744 1100715262 /nfs/dbraw/zinc/71/52/62/1100715262.db2.gz JKKIHVPISQAZKT-UHFFFAOYSA-N 0 1 357.860 4.059 20 30 FIEDMN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000518407529 1101174495 /nfs/dbraw/zinc/17/44/95/1101174495.db2.gz ZHPUPEBPMTUPFM-KNQAVFIVSA-N 0 1 363.505 4.220 20 30 FIEDMN Cc1cc(C=O)c(O)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 ZINC001625956348 1101345593 /nfs/dbraw/zinc/34/55/93/1101345593.db2.gz FMSQYGJLAFMTGK-UHFFFAOYSA-N 0 1 372.380 4.429 20 30 FIEDMN COc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)c(OC(F)F)c1 ZINC000506556150 1101378054 /nfs/dbraw/zinc/37/80/54/1101378054.db2.gz ROJZVRKYZMTTHM-UHFFFAOYSA-N 0 1 358.388 4.333 20 30 FIEDMN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cc2cccc(F)c2o1 ZINC000475708329 1101400455 /nfs/dbraw/zinc/40/04/55/1101400455.db2.gz GTVMTFKHOGXTGR-LLVKDONJSA-N 0 1 371.799 4.386 20 30 FIEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000426379504 1101416991 /nfs/dbraw/zinc/41/69/91/1101416991.db2.gz UKRYHZDJEBEKLI-VQIMIIECSA-N 0 1 365.408 4.289 20 30 FIEDMN N#Cc1ccc(CN2CCC3(CC2)OCCc2ccsc23)c(Cl)c1 ZINC000439429552 1101430201 /nfs/dbraw/zinc/43/02/01/1101430201.db2.gz IBZAVIYNNMBZGQ-UHFFFAOYSA-N 0 1 358.894 4.337 20 30 FIEDMN C=CCC[C@H](NCc1cc(=O)c(OC)co1)c1ccc(C(F)(F)F)cc1 ZINC000537129518 1101484420 /nfs/dbraw/zinc/48/44/20/1101484420.db2.gz WVWHBZDTHWEWGE-INIZCTEOSA-N 0 1 367.367 4.464 20 30 FIEDMN C=CCCC[C@H](C)NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000537189640 1101540916 /nfs/dbraw/zinc/54/09/16/1101540916.db2.gz YMAWKBKQTZYESK-INIZCTEOSA-N 0 1 363.933 4.348 20 30 FIEDMN C=CCCC[C@@H](C)NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000537189641 1101541993 /nfs/dbraw/zinc/54/19/93/1101541993.db2.gz YMAWKBKQTZYESK-MRXNPFEDSA-N 0 1 363.933 4.348 20 30 FIEDMN C[C@@H]1CN(Cc2ccc(CNc3c(Cl)cccc3C#N)cc2)C[C@@H](C)O1 ZINC000518884678 1101703052 /nfs/dbraw/zinc/70/30/52/1101703052.db2.gz FMVSIGANEJKFSK-HZPDHXFCSA-N 0 1 369.896 4.433 20 30 FIEDMN N#CCc1ccccc1S(=O)(=O)Nc1ccccc1-c1cccs1 ZINC000475794466 1101851454 /nfs/dbraw/zinc/85/14/54/1101851454.db2.gz UQQDLYVTVJLJEB-UHFFFAOYSA-N 0 1 354.456 4.282 20 30 FIEDMN C[C@@H](/N=C\c1cc(Br)cc(Br)c1O)c1ccc[nH]1 ZINC000760229067 1101887003 /nfs/dbraw/zinc/88/70/03/1101887003.db2.gz OERHEONYNRRQEK-SOOKCDIPSA-N 0 1 372.060 4.425 20 30 FIEDMN N#CCCCOc1cccc(NS(=O)(=O)c2csc3ccccc32)c1 ZINC000506722303 1101912312 /nfs/dbraw/zinc/91/23/12/1101912312.db2.gz SDTWFOQVRKERIQ-UHFFFAOYSA-N 0 1 372.471 4.385 20 30 FIEDMN C=CCCO[C@@H](C)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000519124199 1101935032 /nfs/dbraw/zinc/93/50/32/1101935032.db2.gz AKRRZIYMYUPALN-ZDUSSCGKSA-N 0 1 353.397 4.289 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000519168281 1101983878 /nfs/dbraw/zinc/98/38/78/1101983878.db2.gz UDEKQYFHZXRXKK-CJNGLKHVSA-N 0 1 350.915 4.056 20 30 FIEDMN C[C@H](c1ccccc1Cl)N(C[C@@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000519192808 1101988105 /nfs/dbraw/zinc/98/81/05/1101988105.db2.gz RPBJISDPLRXFFJ-CRAIPNDOSA-N 0 1 370.880 4.177 20 30 FIEDMN C#CCOc1ccccc1CN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000319907134 1102031078 /nfs/dbraw/zinc/03/10/78/1102031078.db2.gz ZTMDDGJGWINOTI-AWEZNQCLSA-N 0 1 374.278 4.321 20 30 FIEDMN N#Cc1ccccc1NC(=O)CCN(Cc1ccco1)Cc1ccccc1 ZINC000054426040 1102196709 /nfs/dbraw/zinc/19/67/09/1102196709.db2.gz PXTIINPTXASQLV-UHFFFAOYSA-N 0 1 359.429 4.182 20 30 FIEDMN C=CCCOCCNCc1csc(-c2cccc(Br)c2)n1 ZINC000120829155 1102271691 /nfs/dbraw/zinc/27/16/91/1102271691.db2.gz MSLCAMXUQLGLAS-UHFFFAOYSA-N 0 1 367.312 4.255 20 30 FIEDMN Cc1cccnc1[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000120968007 1102291202 /nfs/dbraw/zinc/29/12/02/1102291202.db2.gz GPPQQHSLLFLONB-UYAOXDASSA-N 0 1 364.493 4.012 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](c1ncccc1C)C(C)C ZINC000120908376 1102296975 /nfs/dbraw/zinc/29/69/75/1102296975.db2.gz DHSBBFCQYRNRFW-IEBWSBKVSA-N 0 1 371.550 4.342 20 30 FIEDMN COc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)c(SC)cc1OC ZINC000187699742 1102308432 /nfs/dbraw/zinc/30/84/32/1102308432.db2.gz XQGSMGKLFINXDH-AWEZNQCLSA-N 0 1 356.491 4.490 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000550080393 1102407537 /nfs/dbraw/zinc/40/75/37/1102407537.db2.gz ZDELUTFTUAEYDM-JFIYKMOQSA-N 0 1 371.550 4.387 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2ccccc2NC(=O)c2ccsc2)n1 ZINC000048787667 1102437202 /nfs/dbraw/zinc/43/72/02/1102437202.db2.gz YGYIEZYYKBJTEZ-CQSZACIVSA-N 0 1 367.455 4.255 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2NC(=O)c2ccsc2)n1 ZINC000048787667 1102437208 /nfs/dbraw/zinc/43/72/08/1102437208.db2.gz YGYIEZYYKBJTEZ-CQSZACIVSA-N 0 1 367.455 4.255 20 30 FIEDMN C[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000532519852 1102451624 /nfs/dbraw/zinc/45/16/24/1102451624.db2.gz RWTSNTADFHBPLE-LSDHHAIUSA-N 0 1 367.518 4.171 20 30 FIEDMN C[C@@H](CN(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000532519852 1102451630 /nfs/dbraw/zinc/45/16/30/1102451630.db2.gz RWTSNTADFHBPLE-LSDHHAIUSA-N 0 1 367.518 4.171 20 30 FIEDMN COc1cc(CNCc2sccc2NC(=O)OC(C)(C)C)ccc1C#N ZINC000894542656 1102551452 /nfs/dbraw/zinc/55/14/52/1102551452.db2.gz QYEZBPHANJFXSN-UHFFFAOYSA-N 0 1 373.478 4.265 20 30 FIEDMN C=CCN(Cn1cc(Br)c(-c2ccc(F)cc2)n1)C(C)C ZINC000729463906 1102645598 /nfs/dbraw/zinc/64/55/98/1102645598.db2.gz UAODDPJHVIBENB-UHFFFAOYSA-N 0 1 352.251 4.306 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cnc(-c2ccccc2)s1 ZINC000123022045 1102747131 /nfs/dbraw/zinc/74/71/31/1102747131.db2.gz UMNIRCRMNZIMOY-AWEZNQCLSA-N 0 1 358.426 4.187 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnc(-c2ccccc2)s1 ZINC000123022045 1102747142 /nfs/dbraw/zinc/74/71/42/1102747142.db2.gz UMNIRCRMNZIMOY-AWEZNQCLSA-N 0 1 358.426 4.187 20 30 FIEDMN C=C(C)[C@H](NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1)c1ccc(F)c(F)c1 ZINC000476751984 1102754639 /nfs/dbraw/zinc/75/46/39/1102754639.db2.gz BAJGNDHNQVPGMB-KUHUBIRLSA-N 0 1 373.447 4.350 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C3CCCC3)cc2)n1 ZINC000519571043 1102781258 /nfs/dbraw/zinc/78/12/58/1102781258.db2.gz FGNFWRXSEPEMFA-MRXNPFEDSA-N 0 1 368.458 4.467 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000130704163 1102848672 /nfs/dbraw/zinc/84/86/72/1102848672.db2.gz VLCVUNMFFJCOJK-ZDUSSCGKSA-N 0 1 363.446 4.118 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC001211975746 1103134681 /nfs/dbraw/zinc/13/46/81/1103134681.db2.gz OYFWEFCYGGKRPX-IRXDYDNUSA-N 0 1 363.889 4.468 20 30 FIEDMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN(C)Cc1ccc(C#N)cc1 ZINC000507213451 1103219729 /nfs/dbraw/zinc/21/97/29/1103219729.db2.gz QEUAQFUMNPBPHA-UHFFFAOYSA-N 0 1 358.489 4.360 20 30 FIEDMN CCc1cc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)ccc1F ZINC000507545685 1103488437 /nfs/dbraw/zinc/48/84/37/1103488437.db2.gz DYVKAKHIXAXGKS-UHFFFAOYSA-N 0 1 372.343 4.079 20 30 FIEDMN CCN(Cc1cccc(F)c1)C(=O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000507718776 1103636150 /nfs/dbraw/zinc/63/61/50/1103636150.db2.gz QADAUEFSSYYBCU-KRWDZBQOSA-N 0 1 367.468 4.129 20 30 FIEDMN C[C@H](N)c1ncc(-c2nc(-c3cc(Cl)c(C#N)cc3Cl)no2)s1 ZINC001213207722 1103715528 /nfs/dbraw/zinc/71/55/28/1103715528.db2.gz KLFLCGSQDMJJQF-LURJTMIESA-N 0 1 366.233 4.058 20 30 FIEDMN Cc1nc(-c2cccc(NS(=O)(=O)c3cccc(C)c3C#N)c2)cs1 ZINC000441358571 1104296501 /nfs/dbraw/zinc/29/65/01/1104296501.db2.gz AZMIWUDUZOLSJM-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN N#C[C@H](C(=O)c1cnc(-c2ccsc2)s1)c1nc2ccccc2[nH]1 ZINC000112483419 1104362388 /nfs/dbraw/zinc/36/23/88/1104362388.db2.gz CNKVFUBFQIYFIB-LLVKDONJSA-N 0 1 350.428 4.238 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccsc2)s1)c1nc2ccccc2[nH]1 ZINC000112483419 1104362403 /nfs/dbraw/zinc/36/24/03/1104362403.db2.gz CNKVFUBFQIYFIB-LLVKDONJSA-N 0 1 350.428 4.238 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cnc(-c2ccsc2)s1 ZINC000112483395 1104362505 /nfs/dbraw/zinc/36/25/05/1104362505.db2.gz OEZBRAWAAVSYRD-GFCCVEGCSA-N 0 1 364.455 4.248 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnc(-c2ccsc2)s1 ZINC000112483395 1104362518 /nfs/dbraw/zinc/36/25/18/1104362518.db2.gz OEZBRAWAAVSYRD-GFCCVEGCSA-N 0 1 364.455 4.248 20 30 FIEDMN Cc1cn2c(n1)[C@@H](CNC([O-])=[NH+]CC(C)(C)c1ccccc1Cl)CCC2 ZINC000328637187 1104522280 /nfs/dbraw/zinc/52/22/80/1104522280.db2.gz ARGUJEDYUSGZFB-OAHLLOKOSA-N 0 1 374.916 4.204 20 30 FIEDMN Cc1cn2c(n1)[C@@H](C[NH+]=C([O-])NCC(C)(C)c1ccccc1Cl)CCC2 ZINC000328637187 1104522291 /nfs/dbraw/zinc/52/22/91/1104522291.db2.gz ARGUJEDYUSGZFB-OAHLLOKOSA-N 0 1 374.916 4.204 20 30 FIEDMN Cc1cn2c(n1)[C@H](CNC([O-])=[NH+]CC(C)(C)c1ccccc1Cl)CCC2 ZINC000328637186 1104522924 /nfs/dbraw/zinc/52/29/24/1104522924.db2.gz ARGUJEDYUSGZFB-HNNXBMFYSA-N 0 1 374.916 4.204 20 30 FIEDMN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])NCC(C)(C)c1ccccc1Cl)CCC2 ZINC000328637186 1104522930 /nfs/dbraw/zinc/52/29/30/1104522930.db2.gz ARGUJEDYUSGZFB-HNNXBMFYSA-N 0 1 374.916 4.204 20 30 FIEDMN Cc1cn2c(n1)[C@H](CNC([O-])=[NH+]CC(C)(C)c1cccc(Cl)c1)CCC2 ZINC000328657885 1104525747 /nfs/dbraw/zinc/52/57/47/1104525747.db2.gz PXOLRIHOQCEGIG-HNNXBMFYSA-N 0 1 374.916 4.204 20 30 FIEDMN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])NCC(C)(C)c1cccc(Cl)c1)CCC2 ZINC000328657885 1104525755 /nfs/dbraw/zinc/52/57/55/1104525755.db2.gz PXOLRIHOQCEGIG-HNNXBMFYSA-N 0 1 374.916 4.204 20 30 FIEDMN Cc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000328654339 1104526193 /nfs/dbraw/zinc/52/61/93/1104526193.db2.gz LRWYDFHJGMXABY-MSOLQXFVSA-N 0 1 366.509 4.384 20 30 FIEDMN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1C[C@H](c3ccccc3C)C[C@H]1C)CCC2 ZINC000328695367 1104538286 /nfs/dbraw/zinc/53/82/86/1104538286.db2.gz GITQONJIBNLOOW-CEXWTWQISA-N 0 1 366.509 4.169 20 30 FIEDMN Cc1nc2cccc(C(=O)NC3(c4noc(C)n4)CCCCCC3)c2[nH]1 ZINC000328715894 1104544054 /nfs/dbraw/zinc/54/40/54/1104544054.db2.gz TUPRETOAICENQG-UHFFFAOYSA-N 0 1 353.426 4.117 20 30 FIEDMN O=C(NCC1(c2ccc(Cl)cc2)CCCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000328752323 1104550203 /nfs/dbraw/zinc/55/02/03/1104550203.db2.gz CUKQKKQBNYVOHV-CYBMUJFWSA-N 0 1 358.873 4.032 20 30 FIEDMN O=C(NCC1(c2ccc(Cl)cc2)CCCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000328752323 1104550214 /nfs/dbraw/zinc/55/02/14/1104550214.db2.gz CUKQKKQBNYVOHV-CYBMUJFWSA-N 0 1 358.873 4.032 20 30 FIEDMN CN1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000328771485 1104554641 /nfs/dbraw/zinc/55/46/41/1104554641.db2.gz JHZFRJUOPJDMSS-KRWDZBQOSA-N 0 1 371.525 4.269 20 30 FIEDMN CN1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000328771486 1104554863 /nfs/dbraw/zinc/55/48/63/1104554863.db2.gz JHZFRJUOPJDMSS-QGZVFWFLSA-N 0 1 371.525 4.269 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCc2ccccc2C1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000328851211 1104579165 /nfs/dbraw/zinc/57/91/65/1104579165.db2.gz ZMKUIHZQQJICBP-LJQANCHMSA-N 0 1 374.488 4.214 20 30 FIEDMN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000536303070 1104637670 /nfs/dbraw/zinc/63/76/70/1104637670.db2.gz TZNCCKAEVRRDQM-UHFFFAOYSA-N 0 1 363.442 4.038 20 30 FIEDMN CCc1nn(C)cc1[NH+]=C([O-])Nc1cc(C)c(Br)c(C)c1 ZINC000331131845 1104706891 /nfs/dbraw/zinc/70/68/91/1104706891.db2.gz BDQBCRJYRLWRAS-UHFFFAOYSA-N 0 1 351.248 4.019 20 30 FIEDMN C=CCc1cc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c(O)c(OC)c1 ZINC000164497862 1104768340 /nfs/dbraw/zinc/76/83/40/1104768340.db2.gz MOSHMEJENUYXBT-IFXJQAMLSA-N 0 1 359.491 4.153 20 30 FIEDMN Cc1cccc([C@H](C)N2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000441553553 1104982492 /nfs/dbraw/zinc/98/24/92/1104982492.db2.gz ULMYPTDBCYKUSG-SFHVURJKSA-N 0 1 356.473 4.298 20 30 FIEDMN CCN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000487399399 1105151468 /nfs/dbraw/zinc/15/14/68/1105151468.db2.gz MIUTVMIWSKIBAR-OAQYLSRUSA-N 0 1 361.489 4.115 20 30 FIEDMN N#Cc1c[nH]c(C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)c1 ZINC000530643835 1107210163 /nfs/dbraw/zinc/21/01/63/1107210163.db2.gz DBEIRNAPFLORFL-UHFFFAOYSA-N 0 1 361.792 4.335 20 30 FIEDMN N#Cc1ccc(NC(=O)CCN2CC3(CCC3)[C@@H]2c2ccco2)cc1Cl ZINC000451849309 1107342454 /nfs/dbraw/zinc/34/24/54/1107342454.db2.gz HGWALYGZBBGXHF-IBGZPJMESA-N 0 1 369.852 4.360 20 30 FIEDMN C=C(C)[C@H](Nc1nc(C(F)(F)F)nc2[nH]cnc21)c1ccc(F)c(F)c1 ZINC000302881806 1107476915 /nfs/dbraw/zinc/47/69/15/1107476915.db2.gz JKKNJFRZUKMUGV-NSHDSACASA-N 0 1 369.297 4.379 20 30 FIEDMN N#Cc1cc(NC(=O)c2cccc3nc[nH]c32)ccc1Oc1ccccc1 ZINC000428351626 1107489072 /nfs/dbraw/zinc/48/90/72/1107489072.db2.gz OTIXDPMXOVABBP-UHFFFAOYSA-N 0 1 354.369 4.479 20 30 FIEDMN C[C@H](CNc1ccc(C#N)cc1C(F)(F)F)N1CCc2sccc2C1 ZINC000523088391 1107564530 /nfs/dbraw/zinc/56/45/30/1107564530.db2.gz FDLQJOYYZRYYOE-GFCCVEGCSA-N 0 1 365.424 4.497 20 30 FIEDMN CCc1cccc(C)c1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000609984503 1107848739 /nfs/dbraw/zinc/84/87/39/1107848739.db2.gz JILRNUPVEODKQG-UHFFFAOYSA-N 0 1 368.380 4.249 20 30 FIEDMN CCN(CCC#N)C(=O)CN[C@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000531521961 1107948429 /nfs/dbraw/zinc/94/84/29/1107948429.db2.gz MTXWRQKMOQJVRS-NRFANRHFSA-N 0 1 369.534 4.313 20 30 FIEDMN N#Cc1ccc(CNc2nccn2Cc2ccc(Br)cc2)s1 ZINC000508516709 1108414829 /nfs/dbraw/zinc/41/48/29/1108414829.db2.gz ROMSGRYLKPIDCP-UHFFFAOYSA-N 0 1 373.279 4.239 20 30 FIEDMN C=C(C)COCCNCc1csc(-c2cccc(Br)c2)n1 ZINC000532139796 1108684510 /nfs/dbraw/zinc/68/45/10/1108684510.db2.gz YJWXNAZJPKNGCM-UHFFFAOYSA-N 0 1 367.312 4.255 20 30 FIEDMN CC(C)c1csc([C@H](C#N)C(=O)c2ccc(NC(=O)C(C)(C)C)nc2)n1 ZINC000453698930 1108690026 /nfs/dbraw/zinc/69/00/26/1108690026.db2.gz RWEJRVMDSAKVKM-CYBMUJFWSA-N 0 1 370.478 4.136 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(NC(=O)C(C)(C)C)nc2)n1 ZINC000453698930 1108690029 /nfs/dbraw/zinc/69/00/29/1108690029.db2.gz RWEJRVMDSAKVKM-CYBMUJFWSA-N 0 1 370.478 4.136 20 30 FIEDMN CCOc1ccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1OCC ZINC000524034898 1108764155 /nfs/dbraw/zinc/76/41/55/1108764155.db2.gz CUCCCNXDWHRZOG-OAHLLOKOSA-N 0 1 363.417 4.159 20 30 FIEDMN N#Cc1csc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000440754823 1108773523 /nfs/dbraw/zinc/77/35/23/1108773523.db2.gz JUVRWKYPRPCVQG-CQSZACIVSA-N 0 1 356.838 4.127 20 30 FIEDMN COc1cc(CN[C@@H](Cc2ccc(C)cc2)c2ccccn2)ccc1C#N ZINC000440803036 1108864189 /nfs/dbraw/zinc/86/41/89/1108864189.db2.gz BMFGYQVIUKOBJM-QFIPXVFZSA-N 0 1 357.457 4.344 20 30 FIEDMN COc1cccc(C2(NCC#Cc3cccc(Cl)c3)CCOCC2)c1F ZINC000447383947 1109529328 /nfs/dbraw/zinc/52/93/28/1109529328.db2.gz VDNDZNGTLUNXFS-UHFFFAOYSA-N 0 1 373.855 4.135 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(OCC(F)(F)F)cn2)n1 ZINC000447608742 1109601448 /nfs/dbraw/zinc/60/14/48/1109601448.db2.gz HBXGXVRTUAGKSC-LLVKDONJSA-N 0 1 369.368 4.093 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ncsc1-c1ccccc1 ZINC000526109165 1109623487 /nfs/dbraw/zinc/62/34/87/1109623487.db2.gz WNSPGQJGVYPJLJ-CQSZACIVSA-N 0 1 358.426 4.187 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ncsc1-c1ccccc1 ZINC000526109165 1109623488 /nfs/dbraw/zinc/62/34/88/1109623488.db2.gz WNSPGQJGVYPJLJ-CQSZACIVSA-N 0 1 358.426 4.187 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@H](Cc2ccc(F)cc2)C(C)C)c(C#N)c1C ZINC000448131982 1109728147 /nfs/dbraw/zinc/72/81/47/1109728147.db2.gz FBDHUPSMUNGKDE-LJQANCHMSA-N 0 1 371.456 4.045 20 30 FIEDMN COc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)c(Cl)c1 ZINC000527812010 1109828703 /nfs/dbraw/zinc/82/87/03/1109828703.db2.gz OUHBRHQOYZSROQ-UHFFFAOYSA-N 0 1 356.853 4.016 20 30 FIEDMN C[C@@H](N[C@@H](c1ccccn1)C1CCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000528654314 1110063718 /nfs/dbraw/zinc/06/37/18/1110063718.db2.gz BOOKBQBEVOBQSS-BFUOFWGJSA-N 0 1 368.868 4.065 20 30 FIEDMN N#CC(C(=O)C1CCc2ccccc2CC1)c1ccc(C(F)(F)F)cn1 ZINC000528911732 1110148277 /nfs/dbraw/zinc/14/82/77/1110148277.db2.gz DSQBGEBSCYAPBS-KRWDZBQOSA-N 0 1 358.363 4.472 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4cccc(C#N)c4[N+](=O)[O-])C3)[nH]c2c1 ZINC000450434431 1110297386 /nfs/dbraw/zinc/29/73/86/1110297386.db2.gz MWYUKNFUTZTJJL-OAHLLOKOSA-N 0 1 361.405 4.035 20 30 FIEDMN COc1ccc(OC(F)F)c(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508564 1111173543 /nfs/dbraw/zinc/17/35/43/1111173543.db2.gz SXHDXRIOHWFCKL-NSHDSACASA-N 0 1 350.340 4.158 20 30 FIEDMN C[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(C#N)c(F)c1 ZINC000538508459 1111173611 /nfs/dbraw/zinc/17/36/11/1111173611.db2.gz NAZBZLRGSMBTHT-LBPRGKRZSA-N 0 1 360.816 4.363 20 30 FIEDMN COc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1OC(F)F ZINC000538508992 1111174276 /nfs/dbraw/zinc/17/42/76/1111174276.db2.gz SJLDVEDGWQZXEX-LLVKDONJSA-N 0 1 350.340 4.158 20 30 FIEDMN N#Cc1cnc2ccc(Cl)cc2c1N1CCN(Cc2ccccc2)CC1 ZINC000461461887 1111225032 /nfs/dbraw/zinc/22/50/32/1111225032.db2.gz GEQPCKGQWJHFMQ-UHFFFAOYSA-N 0 1 362.864 4.082 20 30 FIEDMN Cc1nc(-c2ccccc2C)sc1C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 ZINC000477829819 1111576007 /nfs/dbraw/zinc/57/60/07/1111576007.db2.gz KXWWMXARQFJIGG-INIZCTEOSA-N 0 1 362.458 4.324 20 30 FIEDMN Cc1nc(-c2ccccc2C)sc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000477829819 1111576010 /nfs/dbraw/zinc/57/60/10/1111576010.db2.gz KXWWMXARQFJIGG-INIZCTEOSA-N 0 1 362.458 4.324 20 30 FIEDMN N#Cc1ccc(Cl)cc1NC(=O)CNC1(c2ccc(Cl)cc2)CC1 ZINC000553333239 1111951331 /nfs/dbraw/zinc/95/13/31/1111951331.db2.gz LAQIEZJRYIHNMG-UHFFFAOYSA-N 0 1 360.244 4.082 20 30 FIEDMN COc1ccccc1CCN(C)Cc1ccc(Br)cc1C#N ZINC000553864047 1112114389 /nfs/dbraw/zinc/11/43/89/1112114389.db2.gz KRDUSJNQTNBENG-UHFFFAOYSA-N 0 1 359.267 4.004 20 30 FIEDMN Cn1cc(CNCc2ccc(Oc3ccccc3F)c(F)c2)cc1C#N ZINC000480358217 1112398853 /nfs/dbraw/zinc/39/88/53/1112398853.db2.gz QECTWVCPOLXOGR-UHFFFAOYSA-N 0 1 353.372 4.257 20 30 FIEDMN C[C@@H](NCC(=O)N[C@H](c1cccs1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000554849543 1112528729 /nfs/dbraw/zinc/52/87/29/1112528729.db2.gz ZMGPRJLFOHCGTR-AUUYWEPGSA-N 0 1 355.507 4.174 20 30 FIEDMN COc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1C#N ZINC000554982595 1112607263 /nfs/dbraw/zinc/60/72/63/1112607263.db2.gz PWMFALLKIUTJDG-UHFFFAOYSA-N 0 1 363.373 4.025 20 30 FIEDMN CCS[C@H]1CCCCN(CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000480944373 1112683229 /nfs/dbraw/zinc/68/32/29/1112683229.db2.gz ZZPZHZNQXYKOGJ-IBGZPJMESA-N 0 1 373.566 4.158 20 30 FIEDMN N#Cc1ccc(Oc2cccc(NC(=O)c3ccc4cncn4c3)c2)cc1 ZINC000555869801 1113046256 /nfs/dbraw/zinc/04/62/56/1113046256.db2.gz UVIHOLDCIWRRQZ-UHFFFAOYSA-N 0 1 354.369 4.251 20 30 FIEDMN N#CC1CCC(CNC(=O)c2cccc3nc(-c4cccs4)[nH]c32)CC1 ZINC000555951543 1113081575 /nfs/dbraw/zinc/08/15/75/1113081575.db2.gz RDQRIRJGKRWDEK-UHFFFAOYSA-N 0 1 364.474 4.351 20 30 FIEDMN CC(C)=CCC[C@H](C)CCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000482175080 1113192912 /nfs/dbraw/zinc/19/29/12/1113192912.db2.gz YURMJPOIBVBLOO-NJNPRVFISA-N 0 1 351.494 4.104 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccnc2OCc2ccccc2F)n1 ZINC000482563887 1113296820 /nfs/dbraw/zinc/29/68/20/1113296820.db2.gz JBVWSXPGVNFDJV-HNNXBMFYSA-N 0 1 367.405 4.055 20 30 FIEDMN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)c(OC2CCCC2)c1 ZINC000482565580 1113298527 /nfs/dbraw/zinc/29/85/27/1113298527.db2.gz OCKMQMQWIYDDSI-MRXNPFEDSA-N 0 1 356.447 4.272 20 30 FIEDMN CC[C@@H](C)n1ncc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000482582357 1113302776 /nfs/dbraw/zinc/30/27/76/1113302776.db2.gz OXTDTZFZZDVPKP-MFKMUULPSA-N 0 1 350.344 4.066 20 30 FIEDMN CC[C@@H](C)n1ncc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000482582357 1113302780 /nfs/dbraw/zinc/30/27/80/1113302780.db2.gz OXTDTZFZZDVPKP-MFKMUULPSA-N 0 1 350.344 4.066 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCC(C)(C)C2)cc1Cl ZINC000179383286 1113313524 /nfs/dbraw/zinc/31/35/24/1113313524.db2.gz ZSWPXTQOPLPUTM-OCCSQVGLSA-N 0 1 362.857 4.212 20 30 FIEDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000482857060 1113381912 /nfs/dbraw/zinc/38/19/12/1113381912.db2.gz LNFVASYFZUANHI-HNNXBMFYSA-N 0 1 351.406 4.071 20 30 FIEDMN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc1C ZINC000128750946 1113393983 /nfs/dbraw/zinc/39/39/83/1113393983.db2.gz GIEPMCDKKVMDON-NSHDSACASA-N 0 1 351.189 4.164 20 30 FIEDMN C[C@H](NCc1cc(Br)cc2c1OCC2)c1ccc(C#N)cc1 ZINC000128766436 1113411640 /nfs/dbraw/zinc/41/16/40/1113411640.db2.gz AIXXNWFJPWCOKA-LBPRGKRZSA-N 0 1 357.251 4.106 20 30 FIEDMN COc1ccc(CN(CC#Cc2ccccc2)CCc2ccccn2)cc1 ZINC000483062106 1113435736 /nfs/dbraw/zinc/43/57/36/1113435736.db2.gz FZJQSBZTNRYGNR-UHFFFAOYSA-N 0 1 356.469 4.187 20 30 FIEDMN COCCN(Cc1cc(C#N)n(C)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000483144676 1113453877 /nfs/dbraw/zinc/45/38/77/1113453877.db2.gz CSJHTOXWDZYQKY-AWEZNQCLSA-N 0 1 365.399 4.125 20 30 FIEDMN CCOc1ncc(C(=O)C(C#N)c2nccc3ccccc32)cc1Cl ZINC000483191954 1113463850 /nfs/dbraw/zinc/46/38/50/1113463850.db2.gz FQBSPZBCZAWKMB-OAHLLOKOSA-N 0 1 351.793 4.172 20 30 FIEDMN Cc1ccc2nc(C)c(C(=O)C(C#N)c3cnc4ccccc4n3)cc2c1 ZINC000483189755 1113464051 /nfs/dbraw/zinc/46/40/51/1113464051.db2.gz CKRZXVXAXHAJAU-KRWDZBQOSA-N 0 1 352.397 4.285 20 30 FIEDMN N#C[C@@H](C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1nccc2ccccc21 ZINC000483243721 1113470501 /nfs/dbraw/zinc/47/05/01/1113470501.db2.gz MQIDHBCCGHRRMG-QGZVFWFLSA-N 0 1 356.360 4.254 20 30 FIEDMN N#CC(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1nccc2ccccc21 ZINC000483243721 1113470502 /nfs/dbraw/zinc/47/05/02/1113470502.db2.gz MQIDHBCCGHRRMG-QGZVFWFLSA-N 0 1 356.360 4.254 20 30 FIEDMN COc1ccccc1CN(Cc1ccc(C#N)c(C)c1)C[C@H]1CCCO1 ZINC000486792782 1113646503 /nfs/dbraw/zinc/64/65/03/1113646503.db2.gz GNURRFIWHJOPDR-OAQYLSRUSA-N 0 1 350.462 4.057 20 30 FIEDMN C=C1CCC(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000911241084 1113958952 /nfs/dbraw/zinc/95/89/52/1113958952.db2.gz CTMLDSJHYHSMPQ-IBGZPJMESA-N 0 1 355.869 4.284 20 30 FIEDMN COc1cc(Br)ccc1[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000488968232 1114026110 /nfs/dbraw/zinc/02/61/10/1114026110.db2.gz CUXOIOQYIVZCPF-CYBMUJFWSA-N 0 1 359.267 4.489 20 30 FIEDMN Fc1cc2nc(NN=Cc3ccc(Br)s3)[nH]c2cc1F ZINC000912822299 1114215409 /nfs/dbraw/zinc/21/54/09/1114215409.db2.gz CDDRNUCOJJUELP-UHFFFAOYSA-N 0 1 357.183 4.111 20 30 FIEDMN Fc1cc2[nH]c([N-]N=Cc3ccc(Br)s3)[nH+]c2cc1F ZINC000912822299 1114215411 /nfs/dbraw/zinc/21/54/11/1114215411.db2.gz CDDRNUCOJJUELP-UHFFFAOYSA-N 0 1 357.183 4.111 20 30 FIEDMN CCCCn1nc(C)c(C=NNc2nc3cc(F)c(F)cc3[nH]2)c1Cl ZINC000912823658 1114215977 /nfs/dbraw/zinc/21/59/77/1114215977.db2.gz UYODNUXAXPQPSD-UHFFFAOYSA-N 0 1 366.803 4.246 20 30 FIEDMN CCCCn1nc(C)c(C=N[N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)c1Cl ZINC000912823658 1114215980 /nfs/dbraw/zinc/21/59/80/1114215980.db2.gz UYODNUXAXPQPSD-UHFFFAOYSA-N 0 1 366.803 4.246 20 30 FIEDMN COc1ccc(S[C@@H](C)C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000054736786 1114386336 /nfs/dbraw/zinc/38/63/36/1114386336.db2.gz YIYBYNZYHNKXGG-SWLSCSKDSA-N 0 1 352.415 4.193 20 30 FIEDMN N#Cc1cccc(Cl)c1N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000571268304 1114452296 /nfs/dbraw/zinc/45/22/96/1114452296.db2.gz OMCSMTISWHMTCP-NSHDSACASA-N 0 1 354.763 4.338 20 30 FIEDMN N#Cc1csc(CNCCSCc2ccc(Cl)cc2Cl)n1 ZINC000571451634 1114465624 /nfs/dbraw/zinc/46/56/24/1114465624.db2.gz IKOHEGCDEJHSJO-UHFFFAOYSA-N 0 1 358.319 4.345 20 30 FIEDMN COc1ccc(/C=C/C(=O)c2cc(F)ccc2O)cc1OCCCC#N ZINC000156670642 1114489066 /nfs/dbraw/zinc/48/90/66/1114489066.db2.gz OLALCGRTGJDMQB-QPJJXVBHSA-N 0 1 355.365 4.119 20 30 FIEDMN CC(=O)N(c1nc(CN[C@H]2CC[C@@H](CC#N)C2)cs1)c1ccc(F)cc1 ZINC000572060917 1114596849 /nfs/dbraw/zinc/59/68/49/1114596849.db2.gz VLBDOZNNCDCBCH-HOCLYGCPSA-N 0 1 372.469 4.139 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000591063304 1115021660 /nfs/dbraw/zinc/02/16/60/1115021660.db2.gz ORJJOUUOKUAPNK-NVXWUHKLSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000045820599 1115083865 /nfs/dbraw/zinc/08/38/65/1115083865.db2.gz FQDVMZIIOVFRJF-STQMWFEESA-N 0 1 361.367 4.255 20 30 FIEDMN Cc1oc(NC(=O)CNC2(c3cccc(Cl)c3)CCC2)c(C#N)c1C ZINC000592184637 1115221958 /nfs/dbraw/zinc/22/19/58/1115221958.db2.gz QWXSDVGGYJEYNN-UHFFFAOYSA-N 0 1 357.841 4.029 20 30 FIEDMN N#CC[C@@]1(O)CCN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000592522901 1115240361 /nfs/dbraw/zinc/24/03/61/1115240361.db2.gz HWGFIGCKYGOJBO-QGZVFWFLSA-N 0 1 351.233 4.104 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccccc2)nc1)c1nc2cc(F)ccc2s1 ZINC000592973908 1115272720 /nfs/dbraw/zinc/27/27/20/1115272720.db2.gz KTCLKVMVJNWSOX-OAHLLOKOSA-N 0 1 374.400 4.382 20 30 FIEDMN C=CCOc1ccccc1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000592973824 1115272759 /nfs/dbraw/zinc/27/27/59/1115272759.db2.gz IPGDVIXNQWCCSZ-CQSZACIVSA-N 0 1 352.390 4.490 20 30 FIEDMN CC[C@@H](C)NC(=O)c1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594495258 1115449882 /nfs/dbraw/zinc/44/98/82/1115449882.db2.gz OYLJOROYXLCRIF-QGZVFWFLSA-N 0 1 363.505 4.306 20 30 FIEDMN N#Cc1ccc(C2(NCc3cnn(Cc4ccc(F)cc4)c3)CCC2)cc1 ZINC000594521369 1115459337 /nfs/dbraw/zinc/45/93/37/1115459337.db2.gz URPYBMKMPIRHBW-UHFFFAOYSA-N 0 1 360.436 4.111 20 30 FIEDMN COc1cc(Br)ccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594966909 1115503513 /nfs/dbraw/zinc/50/35/13/1115503513.db2.gz CSPOPLXKQMZPPI-UHFFFAOYSA-N 0 1 359.267 4.354 20 30 FIEDMN C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC1(C#N)CCCCC1 ZINC000595097077 1115518226 /nfs/dbraw/zinc/51/82/26/1115518226.db2.gz HGRHRYVNMRCNSP-CQSZACIVSA-N 0 1 367.415 4.486 20 30 FIEDMN CN(CCCC1(C#N)CCOCC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595748699 1115560931 /nfs/dbraw/zinc/56/09/31/1115560931.db2.gz KDBLEFMBWOYRMK-INIZCTEOSA-N 0 1 371.308 4.059 20 30 FIEDMN CC[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000595783458 1115563155 /nfs/dbraw/zinc/56/31/55/1115563155.db2.gz ONKKBLXKNNUHPI-BRWVUGGUSA-N 0 1 359.539 4.387 20 30 FIEDMN N#Cc1ccc(CN2CCC([C@H]3CCCCO3)CC2)c(C(F)(F)F)c1 ZINC000595785184 1115563492 /nfs/dbraw/zinc/56/34/92/1115563492.db2.gz WJELYVCDUVEYKZ-GOSISDBHSA-N 0 1 352.400 4.358 20 30 FIEDMN CC(C)(C)c1[nH]n(CCc2nsc3ccccc23)c(=O)c1CCC#N ZINC000596260587 1115582144 /nfs/dbraw/zinc/58/21/44/1115582144.db2.gz LLADCBZGGXARDF-UHFFFAOYSA-N 0 1 354.479 4.195 20 30 FIEDMN C[C@H](c1ccc(C#N)cc1)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000596605310 1115601618 /nfs/dbraw/zinc/60/16/18/1115601618.db2.gz LUDXGSODUZOQOR-CQSZACIVSA-N 0 1 362.408 4.082 20 30 FIEDMN N#CC1(CC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)CCCCC1 ZINC000596967056 1115630012 /nfs/dbraw/zinc/63/00/12/1115630012.db2.gz IRWYWRAGWRFDAB-QGZVFWFLSA-N 0 1 352.438 4.217 20 30 FIEDMN Cc1nn(-c2ccccc2Br)cc1CN1CCC[C@@H](CC#N)C1 ZINC000597176331 1115647010 /nfs/dbraw/zinc/64/70/10/1115647010.db2.gz HROZMTPLRHLFPY-HNNXBMFYSA-N 0 1 373.298 4.069 20 30 FIEDMN CC(C)c1ccsc1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593353789 1115666441 /nfs/dbraw/zinc/66/64/41/1115666441.db2.gz FWVORDRVSMPIQS-UHFFFAOYSA-N 0 1 367.518 4.138 20 30 FIEDMN Cc1ccc2oc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)cc2c1 ZINC000593355232 1115667128 /nfs/dbraw/zinc/66/71/28/1115667128.db2.gz MXBUYDZYIPQLMJ-UHFFFAOYSA-N 0 1 373.456 4.007 20 30 FIEDMN CCCN(CC(=O)N(Cc1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000061001640 1115747719 /nfs/dbraw/zinc/74/77/19/1115747719.db2.gz STDFSAXUHSPFKK-UHFFFAOYSA-N 0 1 363.505 4.207 20 30 FIEDMN N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593698894 1115798081 /nfs/dbraw/zinc/79/80/81/1115798081.db2.gz YALQHOWIZZMEIM-FQEVSTJZSA-N 0 1 354.400 4.368 20 30 FIEDMN COc1cc(Br)ccc1[C@@H](C)NCc1ccc(C)c(C#N)c1 ZINC000599387614 1115813534 /nfs/dbraw/zinc/81/35/34/1115813534.db2.gz ZMSJBCWPBOICMA-CYBMUJFWSA-N 0 1 359.267 4.489 20 30 FIEDMN CCOc1c(Br)cc(-c2nc3ccc(C#N)cc3[nH]2)cc1OC ZINC000603807364 1115816560 /nfs/dbraw/zinc/81/65/60/1115816560.db2.gz QUFUPHVIWWFOOI-UHFFFAOYSA-N 0 1 372.222 4.271 20 30 FIEDMN C[C@H](CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC000603832792 1115819457 /nfs/dbraw/zinc/81/94/57/1115819457.db2.gz OAUSLZBBRLXPHZ-GOSISDBHSA-N 0 1 355.526 4.055 20 30 FIEDMN N#CCc1cccc2c1CCN(Cc1cccc(OCc3ccccn3)c1)C2 ZINC000599677815 1115834439 /nfs/dbraw/zinc/83/44/39/1115834439.db2.gz LVRIMMFXCRADRW-UHFFFAOYSA-N 0 1 369.468 4.285 20 30 FIEDMN CCCN(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(OC)cc1 ZINC000604492941 1115867537 /nfs/dbraw/zinc/86/75/37/1115867537.db2.gz CLUASSMWOKOXAF-UHFFFAOYSA-N 0 1 371.868 4.071 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000604499527 1115867972 /nfs/dbraw/zinc/86/79/72/1115867972.db2.gz QORDEURIQFMGMK-UHFFFAOYSA-N 0 1 353.466 4.044 20 30 FIEDMN C=CCCCN(C)C(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC ZINC000605946774 1115924319 /nfs/dbraw/zinc/92/43/19/1115924319.db2.gz TZXOGRQCZHPFIM-SFHVURJKSA-N 0 1 351.922 4.331 20 30 FIEDMN N#Cc1ccc(C2(NCc3ccc(OCC(F)(F)F)nc3)CCC2)cc1 ZINC000594031532 1115965485 /nfs/dbraw/zinc/96/54/85/1115965485.db2.gz HVVAXYAUCZMRPJ-UHFFFAOYSA-N 0 1 361.367 4.063 20 30 FIEDMN COc1ccc(-c2cc(CNC3(c4ccc(C#N)cc4)CCC3)on2)cc1 ZINC000594033284 1115966349 /nfs/dbraw/zinc/96/63/49/1115966349.db2.gz YOWZCMUNTMWDKI-UHFFFAOYSA-N 0 1 359.429 4.391 20 30 FIEDMN C[C@H](NC(=O)CNC1(c2ccc(C#N)cc2)CCC1)c1ccc(Cl)cc1 ZINC000594033293 1115966378 /nfs/dbraw/zinc/96/63/78/1115966378.db2.gz YTCJINIEOVVJPI-HNNXBMFYSA-N 0 1 367.880 4.058 20 30 FIEDMN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000173976226 1116104629 /nfs/dbraw/zinc/10/46/29/1116104629.db2.gz ZAAMBFNLMXRBEG-NQBHXWOUSA-N 0 1 353.249 4.467 20 30 FIEDMN COc1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1C#N ZINC000174319413 1116128798 /nfs/dbraw/zinc/12/87/98/1116128798.db2.gz WZYQVKBSOHIJGO-CQSZACIVSA-N 0 1 364.424 4.051 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cccc([C@H]4CCCOC4)c3)[nH]c21 ZINC000534306748 1116182708 /nfs/dbraw/zinc/18/27/08/1116182708.db2.gz CWZOFRAIHQANIV-ZWKOTPCHSA-N 0 1 359.429 4.255 20 30 FIEDMN CCOc1cc(-c2nc3ccc(C#N)cc3[nH]2)ccc1OCC(F)(F)F ZINC000534639775 1116219554 /nfs/dbraw/zinc/21/95/54/1116219554.db2.gz OQPZXGCRCQAICA-UHFFFAOYSA-N 0 1 361.323 4.441 20 30 FIEDMN Cc1ccc(C)c(OCCCn2[nH]c(C(C)(C)C)c(CCC#N)c2=O)c1 ZINC000534632583 1116221308 /nfs/dbraw/zinc/22/13/08/1116221308.db2.gz GDAHSLABZFFVBB-UHFFFAOYSA-N 0 1 355.482 4.428 20 30 FIEDMN C=CCN(CC1CCCCC1)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000534995403 1116260293 /nfs/dbraw/zinc/26/02/93/1116260293.db2.gz SCGIQKCLHJXIFW-UHFFFAOYSA-N 0 1 361.505 4.165 20 30 FIEDMN Cc1[nH]c(C#N)cc1C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457340512 1116266033 /nfs/dbraw/zinc/26/60/33/1116266033.db2.gz GECBUFZFWFVNBS-KRWDZBQOSA-N 0 1 367.840 4.092 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000535332161 1116295412 /nfs/dbraw/zinc/29/54/12/1116295412.db2.gz KRCVDOAQXAFTAM-UHFFFAOYSA-N 0 1 350.466 4.381 20 30 FIEDMN Cc1ccc(Cc2cnc(NC(=O)c3ccc(C#N)c(O)c3)s2)cc1C ZINC000442738203 1116297433 /nfs/dbraw/zinc/29/74/33/1116297433.db2.gz OGLYQDCRZILBIC-UHFFFAOYSA-N 0 1 363.442 4.180 20 30 FIEDMN COc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)ccc1OC(F)F ZINC000539602783 1116351115 /nfs/dbraw/zinc/35/11/15/1116351115.db2.gz QQDYGLFXZUJCEC-NSHDSACASA-N 0 1 350.340 4.158 20 30 FIEDMN CCc1ccc(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)s1 ZINC000462874324 1117832749 /nfs/dbraw/zinc/83/27/49/1117832749.db2.gz PQPLLPOYFGWFRT-UHFFFAOYSA-N 0 1 362.502 4.053 20 30 FIEDMN C=CCc1cc(CN[C@@H]2CCCOc3ccc(F)cc32)cc(OC)c1O ZINC000540585638 1118131168 /nfs/dbraw/zinc/13/11/68/1118131168.db2.gz BGKCUMFUEXTUCV-GOSISDBHSA-N 0 1 357.425 4.272 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000540707638 1118195029 /nfs/dbraw/zinc/19/50/29/1118195029.db2.gz AVQAKLYCAHPQKQ-CABCVRRESA-N 0 1 351.425 4.236 20 30 FIEDMN Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c(OC[C@@H]2CCOC2)c1 ZINC000540706983 1118196044 /nfs/dbraw/zinc/19/60/44/1118196044.db2.gz XHSPDHBNXMEPPR-DLBZAZTESA-N 0 1 368.452 4.272 20 30 FIEDMN Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)on1 ZINC000541073980 1118369988 /nfs/dbraw/zinc/36/99/88/1118369988.db2.gz IZCZQGDNVRVECI-HOTGVXAUSA-N 0 1 374.444 4.200 20 30 FIEDMN CC(C)(C)c1ccc(C(=O)N=c2[nH]n(C(C)(C)C)cc2C#N)cc1Cl ZINC000464094144 1118437502 /nfs/dbraw/zinc/43/75/02/1118437502.db2.gz GGJFVEZBTQFZKT-UHFFFAOYSA-N 0 1 358.873 4.135 20 30 FIEDMN N#CCc1ccc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000541282742 1118462526 /nfs/dbraw/zinc/46/25/26/1118462526.db2.gz RYZJPDHWASFJOO-UHFFFAOYSA-N 0 1 354.400 4.126 20 30 FIEDMN N#CC1(NC(=O)c2cccc3nc(-c4cccs4)[nH]c32)CCCCC1 ZINC000541841846 1118674319 /nfs/dbraw/zinc/67/43/19/1118674319.db2.gz LNZIBZJLXFJBOK-UHFFFAOYSA-N 0 1 350.447 4.248 20 30 FIEDMN Cc1cccc([C@@H]2CCCCN2CC(=O)NC2(C#N)CCCCC2)c1C ZINC000464769582 1118680339 /nfs/dbraw/zinc/68/03/39/1118680339.db2.gz CQYWFMSJMHICOI-FQEVSTJZSA-N 0 1 353.510 4.173 20 30 FIEDMN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)CC(=O)N(CCC#N)CCC#N ZINC000464768100 1118687497 /nfs/dbraw/zinc/68/74/97/1118687497.db2.gz XHCIQMVQJLSCQV-LJQANCHMSA-N 0 1 374.488 4.002 20 30 FIEDMN CN(CCc1cccc2ccccc21)CC(=O)N(CCC#N)c1ccccc1 ZINC000303133315 1118823946 /nfs/dbraw/zinc/82/39/46/1118823946.db2.gz OSONTZUKFFJHNC-UHFFFAOYSA-N 0 1 371.484 4.261 20 30 FIEDMN CCN(CCNc1ccc(C#N)cc1Br)CCC(F)(F)F ZINC000491581991 1118963874 /nfs/dbraw/zinc/96/38/74/1118963874.db2.gz SEMUOMNNPUBEMB-UHFFFAOYSA-N 0 1 364.209 4.007 20 30 FIEDMN N#CC(C(=O)c1cncc(F)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000151879285 1118997105 /nfs/dbraw/zinc/99/71/05/1118997105.db2.gz PXDIGSXJCNKSTA-LLVKDONJSA-N 0 1 359.332 4.112 20 30 FIEDMN C[C@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271980554 1119065600 /nfs/dbraw/zinc/06/56/00/1119065600.db2.gz WVEABYSBNXAPRR-INIZCTEOSA-N 0 1 365.452 4.174 20 30 FIEDMN C=CCc1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc(OC)c1O ZINC000492398108 1119082067 /nfs/dbraw/zinc/08/20/67/1119082067.db2.gz MJPYGNWLNADUBX-UHFFFAOYSA-N 0 1 356.422 4.062 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)n1 ZINC000613286806 1119118718 /nfs/dbraw/zinc/11/87/18/1119118718.db2.gz UZTNJJXKXXBHTJ-PBHICJAKSA-N 0 1 363.442 4.477 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)n1 ZINC000613286806 1119118723 /nfs/dbraw/zinc/11/87/23/1119118723.db2.gz UZTNJJXKXXBHTJ-PBHICJAKSA-N 0 1 363.442 4.477 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cnn(Cc3ccccc3)c2)n1 ZINC000177752541 1119349656 /nfs/dbraw/zinc/34/96/56/1119349656.db2.gz WAVZLUQQHGQQRH-INIZCTEOSA-N 0 1 350.447 4.001 20 30 FIEDMN N#Cc1ccc(OCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000494037406 1119528306 /nfs/dbraw/zinc/52/83/06/1119528306.db2.gz GXEDFRZLQDSUOX-QFIPXVFZSA-N 0 1 373.412 4.224 20 30 FIEDMN CCCCn1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1 ZINC000187483755 1119786140 /nfs/dbraw/zinc/78/61/40/1119786140.db2.gz HFTLSZALARKBAV-ZDUSSCGKSA-N 0 1 371.391 4.227 20 30 FIEDMN CCCCn1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c(C)n1 ZINC000187483755 1119786145 /nfs/dbraw/zinc/78/61/45/1119786145.db2.gz HFTLSZALARKBAV-ZDUSSCGKSA-N 0 1 371.391 4.227 20 30 FIEDMN CCc1oc2ccccc2c1CN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000494360170 1119835087 /nfs/dbraw/zinc/83/50/87/1119835087.db2.gz MRHIYWDKIBXHCZ-INIZCTEOSA-N 0 1 367.493 4.158 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000191467720 1119978593 /nfs/dbraw/zinc/97/85/93/1119978593.db2.gz JGHZWWAFODMCHL-ROUUACIJSA-N 0 1 373.541 4.159 20 30 FIEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001127295994 1120043140 /nfs/dbraw/zinc/04/31/40/1120043140.db2.gz HMWZWMWRMLTLBQ-NSHDSACASA-N 0 1 372.350 4.271 20 30 FIEDMN C=CCC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)N(C)C)c1ccccc1 ZINC000494902057 1120364371 /nfs/dbraw/zinc/36/43/71/1120364371.db2.gz BZASNLXDLHLIFR-FGZHOGPDSA-N 0 1 366.505 4.164 20 30 FIEDMN C[C@@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)c1ccc(C#N)cc1 ZINC000495050608 1120446369 /nfs/dbraw/zinc/44/63/69/1120446369.db2.gz VJDCSEMNBDDLMC-SNVBAGLBSA-N 0 1 356.838 4.154 20 30 FIEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[C@H]1c1cccs1 ZINC000914771662 1120530182 /nfs/dbraw/zinc/53/01/82/1120530182.db2.gz NUPBBLOLLJNGLU-YJBOKZPZSA-N 0 1 374.469 4.122 20 30 FIEDMN C(=NNc1ccc(-n2ccnc2)nn1)c1c2ccccc2cc2ccccc21 ZINC000761861506 1120554072 /nfs/dbraw/zinc/55/40/72/1120554072.db2.gz ZJZVRDJPXJUEQF-UHFFFAOYSA-N 0 1 364.412 4.415 20 30 FIEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000762033049 1120662723 /nfs/dbraw/zinc/66/27/23/1120662723.db2.gz YJFZRQPREMQSNG-BXUZGUMPSA-N 0 1 350.846 4.068 20 30 FIEDMN N#C[C@H](C(=O)[C@H]1Cc2ccccc2S1)c1nc2ccccc2n1C(F)F ZINC000915104137 1120812735 /nfs/dbraw/zinc/81/27/35/1120812735.db2.gz LXKNGHNLHILXCJ-MLGOLLRUSA-N 0 1 369.396 4.325 20 30 FIEDMN COc1ccc(O)c(/C=N\C[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000915113252 1120820260 /nfs/dbraw/zinc/82/02/60/1120820260.db2.gz SIJCIZNALAGKAL-UUMRFZBWSA-N 0 1 358.869 4.310 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@H](C)c1cnn(C(C)C)c1 ZINC000542575120 1121000401 /nfs/dbraw/zinc/00/04/01/1121000401.db2.gz ZAPVMMSNKOIKAH-OAHLLOKOSA-N 0 1 358.511 4.031 20 30 FIEDMN Cc1cc(O)cc2c1C(=O)C(=NN=c1cc(C)c3ccc(C)c(C)c3[nH]1)O2 ZINC000915955771 1121353103 /nfs/dbraw/zinc/35/31/03/1121353103.db2.gz JNGSJXDFDHTXFY-UHFFFAOYSA-N 0 1 361.401 4.175 20 30 FIEDMN Clc1nc(Oc2ccccc2)sc1C=NNc1ccc(Cl)nn1 ZINC000915939452 1121355239 /nfs/dbraw/zinc/35/52/39/1121355239.db2.gz LTOHGLIBRFAHFG-UHFFFAOYSA-N 0 1 366.233 4.478 20 30 FIEDMN Cc1sc2ncnc(NN=Cc3csc(-c4ccccn4)n3)c2c1C ZINC000915942473 1121356466 /nfs/dbraw/zinc/35/64/66/1121356466.db2.gz NBJFJFOWASVJPT-UHFFFAOYSA-N 0 1 366.475 4.273 20 30 FIEDMN Cn1c2ccccc2nc1NN=Cc1cc(Cl)ccc1OC(F)F ZINC000915968034 1121357287 /nfs/dbraw/zinc/35/72/87/1121357287.db2.gz QQDGCXVKMPBRJK-UHFFFAOYSA-N 0 1 350.756 4.274 20 30 FIEDMN Cn1c2ccccc2c(C=NNCCN2CCCCC2)c1-c1ccccc1 ZINC000915974998 1121359402 /nfs/dbraw/zinc/35/94/02/1121359402.db2.gz YUVNBEYNZJGZAE-UHFFFAOYSA-N 0 1 360.505 4.255 20 30 FIEDMN C=CCOc1ccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1Cl ZINC000496372791 1121423429 /nfs/dbraw/zinc/42/34/29/1121423429.db2.gz UPFYPKJHFWNKAG-OAHLLOKOSA-N 0 1 359.857 4.155 20 30 FIEDMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1C[C@H]1CCCO1 ZINC000916246807 1121456433 /nfs/dbraw/zinc/45/64/33/1121456433.db2.gz RVCPWIVFNIOEBN-MRXNPFEDSA-N 0 1 354.479 4.340 20 30 FIEDMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1C[C@H]1CCCO1 ZINC000916246807 1121456437 /nfs/dbraw/zinc/45/64/37/1121456437.db2.gz RVCPWIVFNIOEBN-MRXNPFEDSA-N 0 1 354.479 4.340 20 30 FIEDMN O=[N+]([O-])c1ccc(-c2ccc(C=NN=c3nc[nH]c4sccc43)o2)cc1 ZINC000916368733 1121482370 /nfs/dbraw/zinc/48/23/70/1121482370.db2.gz YIMGZSJPSGKHED-UHFFFAOYSA-N 0 1 365.374 4.306 20 30 FIEDMN N#Cc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)s1 ZINC000496830646 1121538617 /nfs/dbraw/zinc/53/86/17/1121538617.db2.gz LBRXGUYWNCGRSV-UHFFFAOYSA-N 0 1 373.909 4.011 20 30 FIEDMN N#CC(C(=O)C=Cc1cnc2ccccc2n1)c1nc2ccccc2s1 ZINC000916846257 1121887494 /nfs/dbraw/zinc/88/74/94/1121887494.db2.gz NTKMBXNVGITOQZ-ATWMFIQVSA-N 0 1 356.410 4.129 20 30 FIEDMN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000916894879 1121924274 /nfs/dbraw/zinc/92/42/74/1121924274.db2.gz BKJDJRKYOSWGSF-APWZRJJASA-N 0 1 370.493 4.044 20 30 FIEDMN C=CCN(CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)C(C)C ZINC000917167945 1122214293 /nfs/dbraw/zinc/21/42/93/1122214293.db2.gz JUCCTAHCJAYLJE-JOCHJYFZSA-N 0 1 354.469 4.270 20 30 FIEDMN C/C=C\c1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000497412664 1122221998 /nfs/dbraw/zinc/22/19/98/1122221998.db2.gz SRJLHONIIHXWRR-RQOWECAXSA-N 0 1 374.488 4.331 20 30 FIEDMN CCN(CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497594208 1122303366 /nfs/dbraw/zinc/30/33/66/1122303366.db2.gz SEUCWHYXDCRNHN-DLBZAZTESA-N 0 1 367.468 4.300 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(OC(F)F)c(F)c2)n1 ZINC000498061288 1122538346 /nfs/dbraw/zinc/53/83/46/1122538346.db2.gz LZQUIQOTUNHANZ-SNVBAGLBSA-N 0 1 354.353 4.497 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN(C)C[C@@H](C)c2ccccc2)c1C ZINC000556065865 1122636722 /nfs/dbraw/zinc/63/67/22/1122636722.db2.gz YGFAZNOAZATXHU-LJQANCHMSA-N 0 1 363.505 4.286 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(C#N)cc3C)n2)cc1 ZINC000129591960 1122644548 /nfs/dbraw/zinc/64/45/48/1122644548.db2.gz NJAZYNONFBOQCA-GOSISDBHSA-N 0 1 373.437 4.489 20 30 FIEDMN N#Cc1cccc(C2(NCC#Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000556510309 1122932671 /nfs/dbraw/zinc/93/26/71/1122932671.db2.gz ZUMBTXOMOCIHQI-UHFFFAOYSA-N 0 1 356.347 4.087 20 30 FIEDMN CC(C)CN1Cc2cccc(NC(=O)c3cc(C#N)ccc3Cl)c2C1 ZINC000556937540 1123242302 /nfs/dbraw/zinc/24/23/02/1123242302.db2.gz RHGMKDYPIMNQKL-UHFFFAOYSA-N 0 1 353.853 4.436 20 30 FIEDMN COC(=O)C(C)(C)[C@@H](NCc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000615230239 1123348038 /nfs/dbraw/zinc/34/80/38/1123348038.db2.gz ZGPYQWYDKIDQHY-SFHVURJKSA-N 0 1 356.853 4.242 20 30 FIEDMN CO[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1 ZINC000920142227 1123382852 /nfs/dbraw/zinc/38/28/52/1123382852.db2.gz TVMVSLQWEKPJGJ-YLJYHZDGSA-N 0 1 373.437 4.246 20 30 FIEDMN CCOC(=O)[C@H](Cc1ccccc1)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000920174045 1123403428 /nfs/dbraw/zinc/40/34/28/1123403428.db2.gz JDJDYQOYVRKTIJ-XYHOIZSOSA-N 0 1 366.244 4.292 20 30 FIEDMN CCN(C[C@H](C)C#N)C(=O)[C@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC000609620078 1123771109 /nfs/dbraw/zinc/77/11/09/1123771109.db2.gz QCJMJXNPFFMORR-PBHICJAKSA-N 0 1 369.431 4.096 20 30 FIEDMN C=CCCCN(C)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000136467732 1123897543 /nfs/dbraw/zinc/89/75/43/1123897543.db2.gz JVSGJSLVGSFWIK-QAPCUYQASA-N 0 1 367.896 4.080 20 30 FIEDMN N#Cc1ccc(CNCC2=Cc3cc(Br)ccc3OC2)c(F)c1 ZINC000237708708 1124029603 /nfs/dbraw/zinc/02/96/03/1124029603.db2.gz PZMDTJSJWURVRH-UHFFFAOYSA-N 0 1 373.225 4.025 20 30 FIEDMN N#Cc1cccc(COc2cccc(CNCc3ccc(C#N)cc3F)c2)c1 ZINC000237711604 1124029629 /nfs/dbraw/zinc/02/96/29/1124029629.db2.gz CQTWKWHTNWSOFD-UHFFFAOYSA-N 0 1 371.415 4.438 20 30 FIEDMN C[C@@H]1C[C@@H]1[C@H](NCC(=O)Nc1sccc1C#N)c1ccc(Cl)cc1 ZINC000180024063 1124190207 /nfs/dbraw/zinc/19/02/07/1124190207.db2.gz TXVIZCBVYWGPHX-XQAQDONZSA-N 0 1 359.882 4.199 20 30 FIEDMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccc(Br)cc1C#N ZINC000553918406 1124207552 /nfs/dbraw/zinc/20/75/52/1124207552.db2.gz HVUYRZMVMPWLAZ-IRXDYDNUSA-N 0 1 351.288 4.004 20 30 FIEDMN C=C(C)CN(CC)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245735114 1124227373 /nfs/dbraw/zinc/22/73/73/1124227373.db2.gz UOTSCZGIMUQEJT-QAPCUYQASA-N 0 1 367.896 4.080 20 30 FIEDMN CN(C)Cc1ccc(CNc2ccc(C#N)cc2Br)cc1F ZINC000301852166 1124265576 /nfs/dbraw/zinc/26/55/76/1124265576.db2.gz BMDDZJXYSKJSDF-UHFFFAOYSA-N 0 1 362.246 4.134 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000108251726 1124270327 /nfs/dbraw/zinc/27/03/27/1124270327.db2.gz IDQQSXOWIKGRFF-NSHDSACASA-N 0 1 368.430 4.017 20 30 FIEDMN Cc1ccc(NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)nc1C#N ZINC000302676386 1124338003 /nfs/dbraw/zinc/33/80/03/1124338003.db2.gz UPOZHIFCDJTXFI-LIRRHRJNSA-N 0 1 358.848 4.159 20 30 FIEDMN C[C@H](NCC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccc(C#N)cc1 ZINC000554841027 1124525896 /nfs/dbraw/zinc/52/58/96/1124525896.db2.gz MUYKQSFAYBUYBU-CVEARBPZSA-N 0 1 365.502 4.126 20 30 FIEDMN N#Cc1cccc(CC(=O)Nc2c(C3CC3)n[nH]c2-c2cccc(F)c2)c1 ZINC001626238589 1124532824 /nfs/dbraw/zinc/53/28/24/1124532824.db2.gz CETCDOVQMASDLS-UHFFFAOYSA-N 0 1 360.392 4.146 20 30 FIEDMN COc1cc(CN2CCC(Oc3cccc(C#N)c3)CC2)ccc1SC ZINC000109328581 1124554312 /nfs/dbraw/zinc/55/43/12/1124554312.db2.gz MTZUSKOTEJEYKV-UHFFFAOYSA-N 0 1 368.502 4.332 20 30 FIEDMN CC(C)[C@H](NC(=O)CN(Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000109405111 1124564694 /nfs/dbraw/zinc/56/46/94/1124564694.db2.gz HYLWQMDOGAQWFP-QHCPKHFHSA-N 0 1 363.505 4.282 20 30 FIEDMN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249128473 1124846897 /nfs/dbraw/zinc/84/68/97/1124846897.db2.gz VJLIRDXXJXYMMF-DKSSEZFCSA-N 0 1 352.881 4.190 20 30 FIEDMN N#Cc1ccsc1NC(=O)CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000181495273 1124982492 /nfs/dbraw/zinc/98/24/92/1124982492.db2.gz SAFPPVYEEAQFHD-GOSISDBHSA-N 0 1 357.454 4.218 20 30 FIEDMN COCCN(Cc1cc(Br)cs1)Cc1ccc(C#N)cc1 ZINC000077183507 1125139862 /nfs/dbraw/zinc/13/98/62/1125139862.db2.gz BHSUSHSCSGTEEM-UHFFFAOYSA-N 0 1 365.296 4.031 20 30 FIEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1cnn(Cc2ccccc2Cl)c1 ZINC000618742192 1125260127 /nfs/dbraw/zinc/26/01/27/1125260127.db2.gz SXFSAWZCKFNJRZ-OAQYLSRUSA-N 0 1 362.864 4.234 20 30 FIEDMN CCCC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)cc1 ZINC000182146840 1125262649 /nfs/dbraw/zinc/26/26/49/1125262649.db2.gz FPXZNZJHJJZAQM-LJQANCHMSA-N 0 1 369.465 4.236 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@@H](N[C@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618803773 1125284651 /nfs/dbraw/zinc/28/46/51/1125284651.db2.gz IQVTUKXYULCZAN-ROUUACIJSA-N 0 1 364.445 4.291 20 30 FIEDMN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000618893627 1125313187 /nfs/dbraw/zinc/31/31/87/1125313187.db2.gz RVFXMPDJRNRLAQ-CQSZACIVSA-N 0 1 368.849 4.081 20 30 FIEDMN C=CCc1cc(CN(C)[C@H]2CCCc3nc(C)sc32)cc(OC)c1O ZINC000093364963 1125314526 /nfs/dbraw/zinc/31/45/26/1125314526.db2.gz RXFRTHDLQQPQAS-KRWDZBQOSA-N 0 1 358.507 4.404 20 30 FIEDMN Cc1ncc([C@@H](C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)s1 ZINC000602954418 568028581 /nfs/dbraw/zinc/02/85/81/568028581.db2.gz DMMBKFSGSPQCKD-CHWSQXEVSA-N 0 1 374.535 4.135 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)C(C#N)c3nc4ccccc4n3C)n[nH]2)c(C)c1 ZINC000188648125 568044520 /nfs/dbraw/zinc/04/45/20/568044520.db2.gz VKMQKVKDQJJLNB-MRXNPFEDSA-N 0 1 369.428 4.070 20 30 FIEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000603853522 568167228 /nfs/dbraw/zinc/16/72/28/568167228.db2.gz BGQJMMYRTJPLAF-DENIHFKCSA-N 0 1 355.526 4.175 20 30 FIEDMN COc1c(Br)cccc1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000481898080 568173489 /nfs/dbraw/zinc/17/34/89/568173489.db2.gz ABYSMEVRAUNEKB-UHFFFAOYSA-N 0 1 371.278 4.494 20 30 FIEDMN COc1cc2c(cc1CN[C@@H]1CCCCc3cc(C#N)ccc31)O[C@@H](C)C2 ZINC000481918005 568183564 /nfs/dbraw/zinc/18/35/64/568183564.db2.gz QECXAXAIPMOZAM-YCRPNKLZSA-N 0 1 362.473 4.448 20 30 FIEDMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C#N)Cc2ccccc2)n1 ZINC000604029849 568199949 /nfs/dbraw/zinc/19/99/49/568199949.db2.gz HSKRCOYVVPRLGH-CQSZACIVSA-N 0 1 370.865 4.361 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(CC(C)C)cc2)n1 ZINC000604432297 568286262 /nfs/dbraw/zinc/28/62/62/568286262.db2.gz AWAYWQXVFSRUHS-HNNXBMFYSA-N 0 1 356.447 4.008 20 30 FIEDMN C[C@@H]1CN(Cc2cccc(N[C@H]3CCc4ccc(C#N)cc43)c2)C[C@H](C)O1 ZINC000569294130 568342293 /nfs/dbraw/zinc/34/22/93/568342293.db2.gz JCKMHQLSGUJKNP-MFEFFIJZSA-N 0 1 361.489 4.267 20 30 FIEDMN CC(C)n1c2ccccc2nc1[C@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000570525444 568484310 /nfs/dbraw/zinc/48/43/10/568484310.db2.gz NLNUQRSOEAEZBI-SFHVURJKSA-N 0 1 359.477 4.263 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000078268479 1125474010 /nfs/dbraw/zinc/47/40/10/1125474010.db2.gz VEKHSRWRNFJDGJ-KGLIPLIRSA-N 0 1 367.415 4.087 20 30 FIEDMN N#CC(C(=O)c1cncc2ccccc21)c1nc(-c2ccncc2)cs1 ZINC000543058698 1125570192 /nfs/dbraw/zinc/57/01/92/1125570192.db2.gz LAAZJDLBKRZOIZ-INIZCTEOSA-N 0 1 356.410 4.243 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C)[nH]c3C)n2)cc1 ZINC000619756438 1125681786 /nfs/dbraw/zinc/68/17/86/1125681786.db2.gz IJASEHPFXRIXRA-MRXNPFEDSA-N 0 1 351.431 4.254 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cc(C)[nH]c3C)n2)cc1 ZINC000619756438 1125681793 /nfs/dbraw/zinc/68/17/93/1125681793.db2.gz IJASEHPFXRIXRA-MRXNPFEDSA-N 0 1 351.431 4.254 20 30 FIEDMN N#Cc1ccc(CNCc2cc(Cl)c3c(c2)OCCCO3)cc1Cl ZINC000619749059 1125691406 /nfs/dbraw/zinc/69/14/06/1125691406.db2.gz YYKLVCGBAGEAEB-UHFFFAOYSA-N 0 1 363.244 4.316 20 30 FIEDMN Cc1nn2c(CNCc3ccc(C#N)c(Cl)c3)c(C(C)C)nc2s1 ZINC000619748914 1125691628 /nfs/dbraw/zinc/69/16/28/1125691628.db2.gz YNNWXWKPNQWHPI-UHFFFAOYSA-N 0 1 359.886 4.038 20 30 FIEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 ZINC000186940302 1079747145 /nfs/dbraw/zinc/74/71/45/1079747145.db2.gz YKLHAUXBUIMNJT-UHFFFAOYSA-N 0 1 373.821 4.031 20 30 FIEDMN CCCCc1nc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cs1 ZINC000048054844 1079955640 /nfs/dbraw/zinc/95/56/40/1079955640.db2.gz XXZFVMHIPSVSOH-UHFFFAOYSA-N 0 1 368.550 4.065 20 30 FIEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000097698043 1080077247 /nfs/dbraw/zinc/07/72/47/1080077247.db2.gz ZGYWCUUBNKNTOZ-UHFFFAOYSA-N 0 1 352.419 4.049 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NC(=O)CSc1n[nH]c(=S)s1 ZINC000188066832 1080285765 /nfs/dbraw/zinc/28/57/65/1080285765.db2.gz UBJGOPWPMBQZQO-UHFFFAOYSA-N 0 1 365.549 4.410 20 30 FIEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccccc2OC(F)(F)F)n1 ZINC000255046157 1080520470 /nfs/dbraw/zinc/52/04/70/1080520470.db2.gz PEESGWZOSFICRX-ZHRWSRJISA-N 0 1 352.337 4.240 20 30 FIEDMN Cc1ccc(C2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)cn1 ZINC000543989084 1080949338 /nfs/dbraw/zinc/94/93/38/1080949338.db2.gz STYXEOQVPQPZDO-UHFFFAOYSA-N 0 1 357.404 4.243 20 30 FIEDMN COc1cc(CNCc2ccc(C#N)s2)ccc1OCc1ccccc1 ZINC000176942487 1081166594 /nfs/dbraw/zinc/16/65/94/1081166594.db2.gz AAHBJMJTNMRTRH-UHFFFAOYSA-N 0 1 364.470 4.497 20 30 FIEDMN C[C@H](c1ncc(C(C)(C)C)o1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000177645272 1081394527 /nfs/dbraw/zinc/39/45/27/1081394527.db2.gz BOVMVQDLFCMLNK-QGZVFWFLSA-N 0 1 366.509 4.113 20 30 FIEDMN CCC[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000538153777 1081550461 /nfs/dbraw/zinc/55/04/61/1081550461.db2.gz YTCVDIUGYINZOO-WMZOPIPTSA-N 0 1 368.308 4.233 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@@H](C)c3cccc(C#N)c3)[nH]c2c1 ZINC000610408326 1081786808 /nfs/dbraw/zinc/78/68/08/1081786808.db2.gz STOXEXDMRWLGMB-YWZLYKJASA-N 0 1 373.460 4.351 20 30 FIEDMN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)Nc1sccc1C#N ZINC000177742090 1081788201 /nfs/dbraw/zinc/78/82/01/1081788201.db2.gz SMZOYCACTKSDLB-OLZOCXBDSA-N 0 1 361.898 4.336 20 30 FIEDMN C=CC[N@@H+](CC1CCCCC1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC001167392890 1081924675 /nfs/dbraw/zinc/92/46/75/1081924675.db2.gz YADPGHZKEFEZAK-IBGZPJMESA-N 0 1 353.510 4.390 20 30 FIEDMN CN(Cc1cc(F)ccc1C#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160504809 1081953450 /nfs/dbraw/zinc/95/34/50/1081953450.db2.gz VDZYWFZPJMHSCA-DFNIBXOVSA-N 0 1 373.472 4.060 20 30 FIEDMN Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccc(C#N)cc1F ZINC000177859254 1082237907 /nfs/dbraw/zinc/23/79/07/1082237907.db2.gz POEJEXVKIBKWPW-GFCCVEGCSA-N 0 1 352.438 4.375 20 30 FIEDMN N#CCCC1CCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000581370673 1082499545 /nfs/dbraw/zinc/49/95/45/1082499545.db2.gz UXVUKBJWBZJISO-IBGZPJMESA-N 0 1 362.901 4.414 20 30 FIEDMN C=CCOc1cccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000510404288 1082508159 /nfs/dbraw/zinc/50/81/59/1082508159.db2.gz NNCCKKXBDUHDIW-IBGZPJMESA-N 0 1 369.465 4.193 20 30 FIEDMN C[C@H]1CCN(c2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)ccn2)C1 ZINC000430600359 1082566569 /nfs/dbraw/zinc/56/65/69/1082566569.db2.gz XIMSOYHTLJTQPA-ZFWWWQNUSA-N 0 1 368.506 4.172 20 30 FIEDMN CC(=O)Nc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1F ZINC000430644329 1082828475 /nfs/dbraw/zinc/82/84/75/1082828475.db2.gz NDGRJFHFBMKJOL-GFCCVEGCSA-N 0 1 359.426 4.028 20 30 FIEDMN C=CCN1C(=O)CC[C@]12CCCN(Cc1c(F)cccc1Cl)CC2 ZINC001203402823 1082859049 /nfs/dbraw/zinc/85/90/49/1082859049.db2.gz FNYDUAXUYQAZPG-IBGZPJMESA-N 0 1 350.865 4.012 20 30 FIEDMN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377245 1083360791 /nfs/dbraw/zinc/36/07/91/1083360791.db2.gz ZPYVNHHVIIEIBI-LYRGGWFBSA-N 0 1 365.458 4.105 20 30 FIEDMN COCCn1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c2ccccc21 ZINC000647377515 1083373422 /nfs/dbraw/zinc/37/34/22/1083373422.db2.gz QSPUCXXJJXEKMT-HNNXBMFYSA-N 0 1 365.458 4.112 20 30 FIEDMN C[C@@H](c1ccc(Cl)cc1)N1CCN(CCc2ccc(C#N)cc2)CC1 ZINC001167495698 1083456725 /nfs/dbraw/zinc/45/67/25/1083456725.db2.gz HPOSPYOTLXSQAA-KRWDZBQOSA-N 0 1 353.897 4.133 20 30 FIEDMN CCN(Cc1cc(OC)ccc1OCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464084 1083470392 /nfs/dbraw/zinc/47/03/92/1083470392.db2.gz PIAHEPPBYXUSHJ-INIZCTEOSA-N 0 1 354.450 4.133 20 30 FIEDMN CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000610811811 1083723064 /nfs/dbraw/zinc/72/30/64/1083723064.db2.gz YPKMOZZSWJKIIN-OAHLLOKOSA-N 0 1 368.456 4.422 20 30 FIEDMN C=CCOc1c(Cl)cc(CN2CC[C@H](OCC)[C@H](C)C2)cc1OC ZINC000628299390 1083937354 /nfs/dbraw/zinc/93/73/54/1083937354.db2.gz NOEBMKHHLLKYFF-PBHICJAKSA-N 0 1 353.890 4.160 20 30 FIEDMN CN(Cc1ccc(Br)cc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140753197 1083942863 /nfs/dbraw/zinc/94/28/63/1083942863.db2.gz ALTCQZHUYQLIJG-UHFFFAOYSA-N 0 1 351.194 4.231 20 30 FIEDMN CC(C)c1nnc(-c2ccccc2NC(=O)C=Cc2ccccc2C#N)[nH]1 ZINC000255431822 1083994492 /nfs/dbraw/zinc/99/44/92/1083994492.db2.gz UWBSTHDAECYMBQ-QXMHVHEDSA-N 0 1 357.417 4.119 20 30 FIEDMN CC(C)=CCC[C@H](C)CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000563162528 1084150858 /nfs/dbraw/zinc/15/08/58/1084150858.db2.gz CNVHOQFIXHRFLQ-FQEVSTJZSA-N 0 1 367.537 4.434 20 30 FIEDMN COc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)ccc1OCC(F)(F)F ZINC000728439230 1084162048 /nfs/dbraw/zinc/16/20/48/1084162048.db2.gz YNCHIBSUUXARHR-GORDUTHDSA-N 0 1 370.298 4.377 20 30 FIEDMN Cc1ccccc1C[C@@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000581290077 1084536621 /nfs/dbraw/zinc/53/66/21/1084536621.db2.gz SIRXYPZSXBDRJH-OAHLLOKOSA-N 0 1 355.869 4.022 20 30 FIEDMN N#CC(C(=O)c1ccn(-c2ccccc2F)n1)c1ccc2ccccc2n1 ZINC000613292812 1084555146 /nfs/dbraw/zinc/55/51/46/1084555146.db2.gz XSRHPTGTQXCAFA-OAHLLOKOSA-N 0 1 356.360 4.050 20 30 FIEDMN Cc1nc(C(C)C)ncc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000892538452 1084567497 /nfs/dbraw/zinc/56/74/97/1084567497.db2.gz KYYHWFYFDZXTFP-GFCCVEGCSA-N 0 1 369.375 4.143 20 30 FIEDMN Cc1nc(C(C)C)ncc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000892538452 1084567507 /nfs/dbraw/zinc/56/75/07/1084567507.db2.gz KYYHWFYFDZXTFP-GFCCVEGCSA-N 0 1 369.375 4.143 20 30 FIEDMN CN(C)[C@@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000431804372 1084626638 /nfs/dbraw/zinc/62/66/38/1084626638.db2.gz JALGBOXDXAYROY-OALUTQOASA-N 0 1 370.522 4.085 20 30 FIEDMN N#Cc1ccc(OC2CCN(CCCC(=O)c3ccccc3)CC2)c(F)c1 ZINC000450990883 1084642588 /nfs/dbraw/zinc/64/25/88/1084642588.db2.gz ISGFPWINQPOCGC-UHFFFAOYSA-N 0 1 366.436 4.204 20 30 FIEDMN CCN(Cc1cc(OC)c(OC)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000119866321 1084673545 /nfs/dbraw/zinc/67/35/45/1084673545.db2.gz LWURGTDULAMARI-HNNXBMFYSA-N 0 1 354.450 4.167 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2CCSCC2)cc1 ZINC000134976993 1084694567 /nfs/dbraw/zinc/69/45/67/1084694567.db2.gz SINAVVNZWCFJQP-RDTXWAMCSA-N 0 1 358.507 4.381 20 30 FIEDMN Cc1nc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)ccc1C#N ZINC000478570397 1084969915 /nfs/dbraw/zinc/96/99/15/1084969915.db2.gz SORGUTJXGLRCOS-UHFFFAOYSA-N 0 1 359.433 4.438 20 30 FIEDMN CCN(CC(=O)Nc1ccccc1SCC#N)[C@@H](C)Cc1ccsc1 ZINC000187800906 1085028178 /nfs/dbraw/zinc/02/81/78/1085028178.db2.gz VSXGHQIWHPIXJF-HNNXBMFYSA-N 0 1 373.547 4.255 20 30 FIEDMN Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(OC[C@H]2CCOC2)c1 ZINC000124961526 1085225743 /nfs/dbraw/zinc/22/57/43/1085225743.db2.gz WZEPZJCACCVEJD-HKUYNNGSSA-N 0 1 350.462 4.133 20 30 FIEDMN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1cc2ccccc2o1 ZINC000181756611 1085393853 /nfs/dbraw/zinc/39/38/53/1085393853.db2.gz ZQEIJLYKKWPILQ-GFCCVEGCSA-N 0 1 353.809 4.247 20 30 FIEDMN C=CC[C@@H]1CCCN(Cc2csc(CC(=O)Nc3ccccc3C)n2)C1 ZINC000661382175 1085539680 /nfs/dbraw/zinc/53/96/80/1085539680.db2.gz TZZXNZXWJWUVGI-QGZVFWFLSA-N 0 1 369.534 4.421 20 30 FIEDMN N#CC(C(=O)C=Cc1ccc(Cl)nc1)c1nc(-c2ccncc2)cs1 ZINC000255539816 1085622393 /nfs/dbraw/zinc/62/23/93/1085622393.db2.gz HXHCACMRUGFKFO-NPPUXFBVSA-N 0 1 366.833 4.143 20 30 FIEDMN O=C(NCC1(c2ccccc2Cl)CCCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329106280 1085628559 /nfs/dbraw/zinc/62/85/59/1085628559.db2.gz OROULQZRSFRIOO-AWEZNQCLSA-N 0 1 372.900 4.422 20 30 FIEDMN O=C(NCC1(c2ccccc2Cl)CCCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329106280 1085628564 /nfs/dbraw/zinc/62/85/64/1085628564.db2.gz OROULQZRSFRIOO-AWEZNQCLSA-N 0 1 372.900 4.422 20 30 FIEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1Br ZINC000135673487 1085684782 /nfs/dbraw/zinc/68/47/82/1085684782.db2.gz UXSPUALFXMMLFZ-SNVBAGLBSA-N 0 1 351.269 4.242 20 30 FIEDMN CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CC[C@@H]1c1ccccc1 ZINC000472256836 1085690229 /nfs/dbraw/zinc/69/02/29/1085690229.db2.gz KMRIIDGFXGBKAW-UEXGIBASSA-N 0 1 361.489 4.401 20 30 FIEDMN Fc1ccc(-c2n[nH]cc2CNCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000237925561 1085988911 /nfs/dbraw/zinc/98/89/11/1085988911.db2.gz IVRNZCUSKQAKFK-UHFFFAOYSA-N 0 1 373.353 4.376 20 30 FIEDMN Cc1cccc(C(=O)Nc2ccccc2C(=O)C(C#N)c2ccccn2)c1 ZINC000049456351 1086024568 /nfs/dbraw/zinc/02/45/68/1086024568.db2.gz PKSLJDCFYIBXLK-SFHVURJKSA-N 0 1 355.397 4.132 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H](C)CC2(C)C)c1C#N ZINC000472278551 1086073832 /nfs/dbraw/zinc/07/38/32/1086073832.db2.gz QSCSQPKWQVORBS-CQSZACIVSA-N 0 1 356.514 4.151 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000662080417 1086104488 /nfs/dbraw/zinc/10/44/88/1086104488.db2.gz QGARBKOMBKSXDH-CALCHBBNSA-N 0 1 362.433 4.383 20 30 FIEDMN C=C(C)[C@H](NCCC(=O)Nc1sccc1C#N)c1ccc(F)c(F)c1 ZINC000187774792 1086361120 /nfs/dbraw/zinc/36/11/20/1086361120.db2.gz YFTDGHVPXDLRTO-KRWDZBQOSA-N 0 1 361.417 4.134 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245433052 1086782321 /nfs/dbraw/zinc/78/23/21/1086782321.db2.gz BPDSJBAOADVCQK-JFIYKMOQSA-N 0 1 357.523 4.284 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000245433052 1086782329 /nfs/dbraw/zinc/78/23/29/1086782329.db2.gz BPDSJBAOADVCQK-JFIYKMOQSA-N 0 1 357.523 4.284 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000246786194 1086957226 /nfs/dbraw/zinc/95/72/26/1086957226.db2.gz RZFKEURABFJFEL-BRWVUGGUSA-N 0 1 359.539 4.387 20 30 FIEDMN C[C@@H]1c2c(F)cccc2CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000583780695 1086960322 /nfs/dbraw/zinc/96/03/22/1086960322.db2.gz YSDNZRXMLDAVIG-CYBMUJFWSA-N 0 1 371.843 4.299 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000329634284 1087121686 /nfs/dbraw/zinc/12/16/86/1087121686.db2.gz TTZNQONGXVYPLY-APWZRJJASA-N 0 1 372.900 4.452 20 30 FIEDMN COc1cc(NC(=O)CN2CCC[C@@H](C3CC3)C2)c(OC)cc1Cl ZINC000329655302 1087151047 /nfs/dbraw/zinc/15/10/47/1087151047.db2.gz MDUUPWRXVZFUEA-CYBMUJFWSA-N 0 1 352.862 4.067 20 30 FIEDMN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000052825628 1087188632 /nfs/dbraw/zinc/18/86/32/1087188632.db2.gz KNUQLYWDTJULCO-UHFFFAOYSA-N 0 1 362.429 4.085 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000176817415 1087248511 /nfs/dbraw/zinc/24/85/11/1087248511.db2.gz UAXMHRNSJZZNKZ-UHFFFAOYSA-N 0 1 361.382 4.386 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N(C)Cc2cccc3ccccc32)c(C#N)c1C ZINC000053017268 1087314996 /nfs/dbraw/zinc/31/49/96/1087314996.db2.gz SAJRMUHHJUUBID-OAHLLOKOSA-N 0 1 361.445 4.380 20 30 FIEDMN Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1NC(=O)c1ccccc1 ZINC000176834911 1087335403 /nfs/dbraw/zinc/33/54/03/1087335403.db2.gz UEGHWHXMEGFCJL-UHFFFAOYSA-N 0 1 371.396 4.077 20 30 FIEDMN C=CCC[C@H](NC(=O)CCc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000502016870 1087451105 /nfs/dbraw/zinc/45/11/05/1087451105.db2.gz LHZSLHZTUWYJTG-INIZCTEOSA-N 0 1 351.372 4.185 20 30 FIEDMN Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000511277834 1087546287 /nfs/dbraw/zinc/54/62/87/1087546287.db2.gz UDBLIQGLDVTXFB-UHFFFAOYSA-N 0 1 364.854 4.108 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c(C)n1CC(F)(F)F ZINC000647376686 1087798985 /nfs/dbraw/zinc/79/89/85/1087798985.db2.gz XGDUYOIVBNDWTD-CYBMUJFWSA-N 0 1 367.396 4.491 20 30 FIEDMN COc1cc(C#N)ccc1CNC1(c2ccc(Br)cc2)CC1 ZINC000180520484 1087947300 /nfs/dbraw/zinc/94/73/00/1087947300.db2.gz ZDUYXQOCSAFYHB-UHFFFAOYSA-N 0 1 357.251 4.108 20 30 FIEDMN C=CCOc1ccc(C(F)(F)F)cc1-c1nc(C2(N)CCCCC2)no1 ZINC000424339333 1087949334 /nfs/dbraw/zinc/94/93/34/1087949334.db2.gz COBFBXRLMPXFMS-UHFFFAOYSA-N 0 1 367.371 4.438 20 30 FIEDMN CCCCCc1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)n[nH]1 ZINC000659050027 1087976003 /nfs/dbraw/zinc/97/60/03/1087976003.db2.gz FRGORAHYMUXIKJ-CYBMUJFWSA-N 0 1 371.391 4.377 20 30 FIEDMN C=CCCc1ccccc1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000505029422 1088070923 /nfs/dbraw/zinc/07/09/23/1088070923.db2.gz NBXOKRANOLYGOV-IBGZPJMESA-N 0 1 353.466 4.357 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccccc1C#N ZINC000180888808 1088139735 /nfs/dbraw/zinc/13/97/35/1088139735.db2.gz FPIZGHJSGFDAMP-IAGOWNOFSA-N 0 1 370.456 4.298 20 30 FIEDMN C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1SCC#N ZINC000177527115 1088349210 /nfs/dbraw/zinc/34/92/10/1088349210.db2.gz BHGFKKQXILPJRL-FUHWJXTLSA-N 0 1 365.502 4.119 20 30 FIEDMN Cc1ccccc1CNc1ccccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000189174162 1088428864 /nfs/dbraw/zinc/42/88/64/1088428864.db2.gz ONUXWHOOYQBUAW-UHFFFAOYSA-N 0 1 357.413 4.437 20 30 FIEDMN COc1cnccc1[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000189545883 1088493768 /nfs/dbraw/zinc/49/37/68/1088493768.db2.gz AVEMGBQFEUUDGN-KRWDZBQOSA-N 0 1 373.456 4.392 20 30 FIEDMN CC(C)c1cc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)n[nH]1 ZINC000425086436 1088664897 /nfs/dbraw/zinc/66/48/97/1088664897.db2.gz NJXDJAVKAPEUDY-GFCCVEGCSA-N 0 1 364.371 4.106 20 30 FIEDMN C=CCN(Cc1cccs1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435130375 1089312616 /nfs/dbraw/zinc/31/26/16/1089312616.db2.gz PNKLDTYPWBFHQR-UHFFFAOYSA-N 0 1 363.490 4.108 20 30 FIEDMN N#CCCn1cc(CN(Cc2cccs2)C2CC2)c(-c2ccncc2)n1 ZINC000435132802 1089317651 /nfs/dbraw/zinc/31/76/51/1089317651.db2.gz ZUAHVLIWZPWCPO-UHFFFAOYSA-N 0 1 363.490 4.085 20 30 FIEDMN CC[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000435414584 1089618068 /nfs/dbraw/zinc/61/80/68/1089618068.db2.gz DPRXVRYVJRLRPY-ICSRJNTNSA-N 0 1 365.477 4.365 20 30 FIEDMN COc1ccccc1[C@@H]1CC[C@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000515018015 1089723033 /nfs/dbraw/zinc/72/30/33/1089723033.db2.gz FFZAYUHQOJHVOO-JXFKEZNVSA-N 0 1 360.461 4.188 20 30 FIEDMN CCN(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C[C@@H](C)C#N ZINC000435678540 1089867510 /nfs/dbraw/zinc/86/75/10/1089867510.db2.gz QIQSLSHYBOWRNF-KRWDZBQOSA-N 0 1 351.450 4.289 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000122681415 1089908275 /nfs/dbraw/zinc/90/82/75/1089908275.db2.gz WTZQBUILYGHCPM-KRWDZBQOSA-N 0 1 361.420 4.401 20 30 FIEDMN C[C@H]1CCCc2[nH+]cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)n21 ZINC000651266061 1090082407 /nfs/dbraw/zinc/08/24/07/1090082407.db2.gz AWTLECWFCOTYFA-RYUDHWBXSA-N 0 1 369.375 4.015 20 30 FIEDMN COc1cccc(C2(F)CCN(Cc3cc(C#N)ccc3OC)CC2)c1 ZINC000500158362 1091073053 /nfs/dbraw/zinc/07/30/53/1091073053.db2.gz IFXRFDNVVOLHCX-UHFFFAOYSA-N 0 1 354.425 4.036 20 30 FIEDMN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053528158 1091120473 /nfs/dbraw/zinc/12/04/73/1091120473.db2.gz QUURILDNAQXVFW-ZDUSSCGKSA-N 0 1 365.437 4.220 20 30 FIEDMN C[C@@H](Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)c1ccc(C#N)cc1F ZINC000512276919 1092000236 /nfs/dbraw/zinc/00/02/36/1092000236.db2.gz AQHARZADSSBUBB-BRWVUGGUSA-N 0 1 367.468 4.480 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000428106645 1092200624 /nfs/dbraw/zinc/20/06/24/1092200624.db2.gz KKMDXHMAJDXROB-MRXNPFEDSA-N 0 1 369.515 4.176 20 30 FIEDMN C=C(C)C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1ccc(CO)o1 ZINC000512434605 1092327409 /nfs/dbraw/zinc/32/74/09/1092327409.db2.gz ZGTZTSGSOAZXPJ-UHFFFAOYSA-N 0 1 369.383 4.248 20 30 FIEDMN C=C(C)CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccc(CO)o1 ZINC000512434605 1092327422 /nfs/dbraw/zinc/32/74/22/1092327422.db2.gz ZGTZTSGSOAZXPJ-UHFFFAOYSA-N 0 1 369.383 4.248 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2c(C)c(C)sc2Br)n1 ZINC000442024595 1092390606 /nfs/dbraw/zinc/39/06/06/1092390606.db2.gz LIFHFGNQAHIHDZ-SECBINFHSA-N 0 1 355.282 4.382 20 30 FIEDMN CC(C)(COCc1ccccc1)NCc1cc(C#N)ccc1Br ZINC000500823670 1092616578 /nfs/dbraw/zinc/61/65/78/1092616578.db2.gz PYZDRLLNTRHQMA-UHFFFAOYSA-N 0 1 373.294 4.406 20 30 FIEDMN N#Cc1ccc(Oc2ccc(NC(=O)c3cccc4cn[nH]c43)cc2)cc1 ZINC000521356125 1092653951 /nfs/dbraw/zinc/65/39/51/1092653951.db2.gz MIFSNKONOBODAC-UHFFFAOYSA-N 0 1 354.369 4.479 20 30 FIEDMN N#CC(=C([O-])c1cn2cc(Cl)cc(Cl)c2[nH+]1)c1nc2ccccc2o1 ZINC000442553052 1092676611 /nfs/dbraw/zinc/67/66/11/1092676611.db2.gz TUAJCXFFINIBCG-SNVBAGLBSA-N 0 1 371.183 4.272 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)n1 ZINC000442600434 1092693184 /nfs/dbraw/zinc/69/31/84/1092693184.db2.gz OPNCQBYCDOYSKC-MRXNPFEDSA-N 0 1 369.490 4.060 20 30 FIEDMN C=C(C)CN(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442877436 1092832508 /nfs/dbraw/zinc/83/25/08/1092832508.db2.gz UKZVSBBQMSLLKI-OAHLLOKOSA-N 0 1 354.288 4.015 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cccc(COCCc3ccccc3)c2)cc1O ZINC000442947689 1092881612 /nfs/dbraw/zinc/88/16/12/1092881612.db2.gz DXIJRVPSYXECMY-UHFFFAOYSA-N 0 1 372.424 4.275 20 30 FIEDMN C=C(C)C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cnn(C(C)C)c1 ZINC000512560511 1092935957 /nfs/dbraw/zinc/93/59/57/1092935957.db2.gz FHGADKGYLZTJQS-UHFFFAOYSA-N 0 1 365.481 4.135 20 30 FIEDMN C=C(C)CN(CCc1nc(-c2ccccc2)no1)Cc1cnn(C(C)C)c1 ZINC000512560511 1092935960 /nfs/dbraw/zinc/93/59/60/1092935960.db2.gz FHGADKGYLZTJQS-UHFFFAOYSA-N 0 1 365.481 4.135 20 30 FIEDMN N#Cc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000512621826 1092999716 /nfs/dbraw/zinc/99/97/16/1092999716.db2.gz DGHLFUOTVVDRFX-UHFFFAOYSA-N 0 1 359.882 4.124 20 30 FIEDMN CC(C)(C#N)c1ccc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000614182378 1093083309 /nfs/dbraw/zinc/08/33/09/1093083309.db2.gz NKIPAOPYMDVVJL-GOSISDBHSA-N 0 1 362.395 4.330 20 30 FIEDMN C=CC1CCN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000522163521 1093136603 /nfs/dbraw/zinc/13/66/03/1093136603.db2.gz WJHREOOWPMVYPQ-QHCPKHFHSA-N 0 1 366.480 4.272 20 30 FIEDMN C[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccccc1C#N ZINC000025215927 1093763827 /nfs/dbraw/zinc/76/38/27/1093763827.db2.gz HHLBRKKJJNIMCJ-YVEFUNNKSA-N 0 1 371.893 4.365 20 30 FIEDMN CC(C)(C)OC(=O)Nc1cc(F)cc(CNCc2csc(C#N)c2)c1 ZINC000895934938 1093799041 /nfs/dbraw/zinc/79/90/41/1093799041.db2.gz GIATVFYWUQMLIT-UHFFFAOYSA-N 0 1 361.442 4.396 20 30 FIEDMN COc1cccc(CN(Cc2ccc(C#N)cc2C)C[C@H]2CCCO2)c1 ZINC000614396671 1093813184 /nfs/dbraw/zinc/81/31/84/1093813184.db2.gz CNGYUDZJMVETGK-JOCHJYFZSA-N 0 1 350.462 4.057 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430009363 1094027431 /nfs/dbraw/zinc/02/74/31/1094027431.db2.gz BFCFRZPHDDLRSW-UHFFFAOYSA-N 0 1 372.472 4.436 20 30 FIEDMN Cc1oc(NC(=O)CN[C@@H](C)c2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000182428166 1094123800 /nfs/dbraw/zinc/12/38/00/1094123800.db2.gz VGSDCVDAUMWVOX-NSHDSACASA-N 0 1 365.355 4.076 20 30 FIEDMN CC[C@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1cccc(Cl)c1 ZINC000182602032 1094146994 /nfs/dbraw/zinc/14/69/94/1094146994.db2.gz BGMOXFKLRROXKB-PXAZEXFGSA-N 0 1 359.857 4.489 20 30 FIEDMN C[C@@H](c1ccc(OC(F)F)cc1)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000513684296 1094274887 /nfs/dbraw/zinc/27/48/87/1094274887.db2.gz QRYUOUXRMLNQOY-INIZCTEOSA-N 0 1 371.431 4.038 20 30 FIEDMN C=CCCN(C)[C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000467292234 1094330414 /nfs/dbraw/zinc/33/04/14/1094330414.db2.gz RZYLUQADBOHALP-MRXNPFEDSA-N 0 1 355.507 4.209 20 30 FIEDMN FC(F)(F)Cc1ncc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)s1 ZINC000896225220 1094477360 /nfs/dbraw/zinc/47/73/60/1094477360.db2.gz VVQBTCKFBOQSON-SNVBAGLBSA-N 0 1 362.314 4.114 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CC=C(c2ccccc2Cl)CC1 ZINC000329101527 1094740651 /nfs/dbraw/zinc/74/06/51/1094740651.db2.gz ZTCNQYUWRFXGBP-KRWDZBQOSA-N 0 1 356.857 4.144 20 30 FIEDMN CC(C)(C)c1ccc2c(c1)CN(C(=O)N[C@H]1CCCc3cn[nH]c31)CC2 ZINC000329268797 1094805063 /nfs/dbraw/zinc/80/50/63/1094805063.db2.gz DWEUNPHUTFCXBS-SFHVURJKSA-N 0 1 352.482 4.057 20 30 FIEDMN O=C(N[C@H]1CCCOc2c(Cl)cccc21)N1CCC(c2cnc[nH]2)CC1 ZINC000329272966 1094810049 /nfs/dbraw/zinc/81/00/49/1094810049.db2.gz JUGAFFCENRRJLT-INIZCTEOSA-N 0 1 374.872 4.070 20 30 FIEDMN CC1(C)CC[C@@H]2C[C@@H](NC(=O)c3cccn4c(O)nnc34)c3cccc1c32 ZINC000329341254 1094852653 /nfs/dbraw/zinc/85/26/53/1094852653.db2.gz OUJYLGOGYHDWSP-MLGOLLRUSA-N 0 1 362.433 4.040 20 30 FIEDMN N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2cnc[nH]2)cc1Cl ZINC000474897561 1094879915 /nfs/dbraw/zinc/87/99/15/1094879915.db2.gz HSWLVXYZBUZNNK-GOSISDBHSA-N 0 1 364.836 4.290 20 30 FIEDMN Cc1cc(NC(=O)[C@H]2CCCc3[nH]ncc32)cnc1N1CCCC[C@@H]1C ZINC000329502070 1094942041 /nfs/dbraw/zinc/94/20/41/1094942041.db2.gz KPUPSXJEQSKLFY-HOCLYGCPSA-N 0 1 353.470 4.200 20 30 FIEDMN C=CCN1CC[C@H](N(Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)C1=O ZINC001168045127 1095024849 /nfs/dbraw/zinc/02/48/49/1095024849.db2.gz XAJROVMGTHYONW-PKTZIBPZSA-N 0 1 360.501 4.271 20 30 FIEDMN C=CCCC1(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)CC1 ZINC000475022681 1095090761 /nfs/dbraw/zinc/09/07/61/1095090761.db2.gz KGKCJHIKCLGFIF-IBGZPJMESA-N 0 1 356.510 4.085 20 30 FIEDMN Cc1cnn([C@H]2CCCN(C([O-])=[NH+][C@@H]3CCC[C@H]3c3ccccc3)C2)c1 ZINC000329696294 1095149337 /nfs/dbraw/zinc/14/93/37/1095149337.db2.gz DLGMJHUSPOGTEP-SLFFLAALSA-N 0 1 352.482 4.079 20 30 FIEDMN C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCC[C@H]2c2ccccc2)C[C@@H]1n1ccnc1 ZINC000329711384 1095198768 /nfs/dbraw/zinc/19/87/68/1095198768.db2.gz OMPZZDPNHDRVAB-MDNKFWRPSA-N 0 1 352.482 4.016 20 30 FIEDMN CCN(CCCN1CCC[C@H]1[C@H](C#N)c1ccccc1)CC(F)(F)F ZINC000475037839 1095254781 /nfs/dbraw/zinc/25/47/81/1095254781.db2.gz HQVRNWHXLZVPPE-MSOLQXFVSA-N 0 1 353.432 4.032 20 30 FIEDMN CC(C)c1nc([C@H]2CCCCN2CC(=O)Nc2ccc(F)c(F)c2)n[nH]1 ZINC000329772155 1095261080 /nfs/dbraw/zinc/26/10/80/1095261080.db2.gz HGPPVVVQGDAHMF-OAHLLOKOSA-N 0 1 363.412 4.022 20 30 FIEDMN CC(C)c1ccc2c(c1)[C@H](NC(=O)NC[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000329908413 1095311534 /nfs/dbraw/zinc/31/15/34/1095311534.db2.gz LQQZJGLZASRKQR-OXJNMPFZSA-N 0 1 366.509 4.150 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+]C[C@]2(C)CCCS2)CC1 ZINC000329960106 1095330551 /nfs/dbraw/zinc/33/05/51/1095330551.db2.gz NSIPVNPXFIQPBZ-FQEVSTJZSA-N 0 1 372.538 4.181 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H]([NH+]=C([O-])N1CCC(c3ccccc3)CC1)CC2 ZINC000330049532 1095362113 /nfs/dbraw/zinc/36/21/13/1095362113.db2.gz KWUSAOPJFRGHQP-FQEVSTJZSA-N 0 1 366.509 4.115 20 30 FIEDMN C=CCC1(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)CCC1 ZINC000330056440 1095365703 /nfs/dbraw/zinc/36/57/03/1095365703.db2.gz VWGUTVCRBFFHMM-KRWDZBQOSA-N 0 1 356.514 4.305 20 30 FIEDMN CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCCc4cn[nH]c43)c12 ZINC000330098095 1095379528 /nfs/dbraw/zinc/37/95/28/1095379528.db2.gz BLQBRCBIOYSUBT-HNNXBMFYSA-N 0 1 365.437 4.158 20 30 FIEDMN Cc1ccccc1[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3cnn(C(C)C)c3C2)C1 ZINC000330111623 1095383478 /nfs/dbraw/zinc/38/34/78/1095383478.db2.gz RHLQYSWXXKBGSM-MOPGFXCFSA-N 0 1 366.509 4.033 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000330111941 1095383965 /nfs/dbraw/zinc/38/39/65/1095383965.db2.gz BMYTWOGRRTUPMV-IEBWSBKVSA-N 0 1 363.465 4.410 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC(=Cc2ccccc2F)CC1 ZINC000330152030 1095396491 /nfs/dbraw/zinc/39/64/91/1095396491.db2.gz WLOVBJGGXBTOKH-SFHVURJKSA-N 0 1 354.429 4.020 20 30 FIEDMN C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCC[C@H](c3ccccc3)C2)C[C@@H]1n1ccnc1 ZINC000330186197 1095409728 /nfs/dbraw/zinc/40/97/28/1095409728.db2.gz RWAHVPZUJMKSNN-PMXSJFBMSA-N 0 1 366.509 4.406 20 30 FIEDMN CC[C@@H]1C[C@@]1(NCC(=O)N(CCC#N)c1ccccc1)c1cccc(C)c1 ZINC000502545354 1095570024 /nfs/dbraw/zinc/57/00/24/1095570024.db2.gz XBZTWUNCPGRATF-XXBNENTESA-N 0 1 361.489 4.157 20 30 FIEDMN CCc1nn(-c2ccccc2)c(CC)c1CNCc1ccc(C#N)c(F)c1 ZINC000421378161 1095577015 /nfs/dbraw/zinc/57/70/15/1095577015.db2.gz GEVZFXLNMOBXBW-UHFFFAOYSA-N 0 1 362.452 4.298 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cnc(-c4ccccc4)s3)[nH]c21 ZINC000522830733 1095750099 /nfs/dbraw/zinc/75/00/99/1095750099.db2.gz UEMXRUOWWFBUQZ-AWEZNQCLSA-N 0 1 358.426 4.485 20 30 FIEDMN N#Cc1ccccc1Cn1cccc1CNc1nccn1Cc1ccccc1 ZINC000508465181 1095780347 /nfs/dbraw/zinc/78/03/47/1095780347.db2.gz HIZHDTVFJHSNQA-UHFFFAOYSA-N 0 1 367.456 4.265 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN[C@H](CO)c1ccc(Br)cc1 ZINC000273125224 1096235553 /nfs/dbraw/zinc/23/55/53/1096235553.db2.gz QJHKLRNVLRVFJL-GOSISDBHSA-N 0 1 373.294 4.073 20 30 FIEDMN C=CCOc1ccc(CNCc2cccc(OC(C)(C)C)n2)cc1OC ZINC000503262441 1096334977 /nfs/dbraw/zinc/33/49/77/1096334977.db2.gz XSVBZWJTTIOKTE-UHFFFAOYSA-N 0 1 356.466 4.122 20 30 FIEDMN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1c[nH]nc1-c1ccsc1 ZINC000435946101 1098588438 /nfs/dbraw/zinc/58/84/38/1098588438.db2.gz WLAUQBDMMXWHCW-UHFFFAOYSA-N 0 1 370.437 4.185 20 30 FIEDMN Cc1nc(C(F)(F)F)ccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000515584828 1098729994 /nfs/dbraw/zinc/72/99/94/1098729994.db2.gz FMAWLNDADQVMOF-NSHDSACASA-N 0 1 373.256 4.313 20 30 FIEDMN CC[C@H]1CN(CC)CCN1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000454762714 1098748468 /nfs/dbraw/zinc/74/84/68/1098748468.db2.gz OLBHMSVLBCPGAJ-CVEARBPZSA-N 0 1 360.527 4.029 20 30 FIEDMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000454762723 1098749527 /nfs/dbraw/zinc/74/95/27/1098749527.db2.gz OLBHMSVLBCPGAJ-HZPDHXFCSA-N 0 1 360.527 4.029 20 30 FIEDMN N#Cc1ccccc1S(=O)(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000515697986 1098861965 /nfs/dbraw/zinc/86/19/65/1098861965.db2.gz XOQCHMAFYLSEDY-UHFFFAOYSA-N 0 1 368.389 4.290 20 30 FIEDMN N#Cc1ccc(CN2CC[C@@H](COc3ccccc3)C2)c(OC(F)F)c1 ZINC000505839138 1099073855 /nfs/dbraw/zinc/07/38/55/1099073855.db2.gz KTNIBOFFJMIZQJ-MRXNPFEDSA-N 0 1 358.388 4.061 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(C#N)cc3)n2)cc1 ZINC000516269910 1099334215 /nfs/dbraw/zinc/33/42/15/1099334215.db2.gz DFWYSWVGFYXZAY-KRWDZBQOSA-N 0 1 359.410 4.180 20 30 FIEDMN CCOc1cc(-c2noc(-c3cccc(C#N)c3C)n2)cc(Cl)c1O ZINC000436876585 1099392933 /nfs/dbraw/zinc/39/29/33/1099392933.db2.gz JFAUPFOQCGWTHN-UHFFFAOYSA-N 0 1 355.781 4.341 20 30 FIEDMN N#Cc1cccc(COc2cccc(NC(=O)c3c(O)cccc3F)c2)c1 ZINC000436959742 1099475389 /nfs/dbraw/zinc/47/53/89/1099475389.db2.gz NZTUFUZRXPYXCS-UHFFFAOYSA-N 0 1 362.360 4.234 20 30 FIEDMN CC(C)N(Cc1ccc(Cl)c(Cl)c1)Cc1cnc2c(C#N)cnn2c1 ZINC000516469836 1099508495 /nfs/dbraw/zinc/50/84/95/1099508495.db2.gz VPHHWOJAXIORLR-UHFFFAOYSA-N 0 1 374.275 4.318 20 30 FIEDMN C=CCOc1ccc(CN(C(=O)c2ccc3cncn3c2)C(C)(C)C)cc1 ZINC000516497167 1099544299 /nfs/dbraw/zinc/54/42/99/1099544299.db2.gz LVIFWQIOPCUTJV-UHFFFAOYSA-N 0 1 363.461 4.340 20 30 FIEDMN N#Cc1ccc(CN(CCO)[C@@H]2CCCc3ccccc32)c(OC(F)F)c1 ZINC000437135595 1099631820 /nfs/dbraw/zinc/63/18/20/1099631820.db2.gz HVCJHZQNGAECJG-LJQANCHMSA-N 0 1 372.415 4.032 20 30 FIEDMN CC(C)(CO)[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000516688480 1099725399 /nfs/dbraw/zinc/72/53/99/1099725399.db2.gz GMPBCZQDZFISRY-SFHVURJKSA-N 0 1 360.404 4.009 20 30 FIEDMN COC[C@@H](NCc1cccc(OCCCC#N)c1)c1cccc(Cl)c1 ZINC000517053432 1100001310 /nfs/dbraw/zinc/00/13/10/1100001310.db2.gz LOLIPIDHMJPZPP-HXUWFJFHSA-N 0 1 358.869 4.500 20 30 FIEDMN C=CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccco1 ZINC000476013853 1100017961 /nfs/dbraw/zinc/01/79/61/1100017961.db2.gz UKVJXCHJUHEGHO-GHTZIAJQSA-N 0 1 354.494 4.297 20 30 FIEDMN C=CCN(Cc1ccc([C@@H]2C[C@H]2C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536677180 1100168939 /nfs/dbraw/zinc/16/89/39/1100168939.db2.gz YFIDCFKYNAMPEN-JXXFODFXSA-N 0 1 363.465 4.128 20 30 FIEDMN C=C[C@H]1CCCCN1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000426255055 1101078381 /nfs/dbraw/zinc/07/83/81/1101078381.db2.gz XIAPYVYAHSLDOB-DLBZAZTESA-N 0 1 369.431 4.058 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)cc1O ZINC000473597531 1101092196 /nfs/dbraw/zinc/09/21/96/1101092196.db2.gz GTGOCNCRAJWAMW-UHFFFAOYSA-N 0 1 372.428 4.055 20 30 FIEDMN CCCOc1ccc([C@H](C)NCc2ccc(C#N)cc2OC)cc1OC ZINC000537050941 1101425835 /nfs/dbraw/zinc/42/58/35/1101425835.db2.gz FKNCJQUQBIYZRE-HNNXBMFYSA-N 0 1 354.450 4.215 20 30 FIEDMN CSc1ccc([C@@H](C)NCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000439464988 1101462878 /nfs/dbraw/zinc/46/28/78/1101462878.db2.gz FGCPZJHDKSMQFG-MRXNPFEDSA-N 0 1 353.491 4.006 20 30 FIEDMN Clc1ccc(C#CCN2CCC(OCCc3ccccc3)CC2)cc1 ZINC000426419314 1101541440 /nfs/dbraw/zinc/54/14/40/1101541440.db2.gz KLNXFISPSPFFCA-UHFFFAOYSA-N 0 1 353.893 4.415 20 30 FIEDMN N#CCC[C@@H](NC(=O)c1ccc(Nc2ccncc2)cc1)c1ccccc1 ZINC000439664047 1101641185 /nfs/dbraw/zinc/64/11/85/1101641185.db2.gz FANMSQARECCZOI-OAQYLSRUSA-N 0 1 356.429 4.022 20 30 FIEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458853696 1101649054 /nfs/dbraw/zinc/64/90/54/1101649054.db2.gz WZACCIKSUWOLST-SFHVURJKSA-N 0 1 367.497 4.284 20 30 FIEDMN Cc1sc(NC(=O)c2ccc(C#N)c(O)c2)nc1-c1ccc(F)cc1 ZINC000190949993 1101720779 /nfs/dbraw/zinc/72/07/79/1101720779.db2.gz AOEWCELGUYSLDQ-UHFFFAOYSA-N 0 1 353.378 4.087 20 30 FIEDMN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000190995510 1101740880 /nfs/dbraw/zinc/74/08/80/1101740880.db2.gz FRYDXLQCHRYUBZ-UHFFFAOYSA-N 0 1 369.380 4.489 20 30 FIEDMN COc1cc(F)c(C(C)=NN=c2nc[nH]c3sc(C)c(C)c32)cc1OC ZINC000760226446 1101861388 /nfs/dbraw/zinc/86/13/88/1101861388.db2.gz LOQSZPNNWSNAIK-UHFFFAOYSA-N 0 1 374.441 4.301 20 30 FIEDMN CCc1ccccc1O[C@@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760352366 1101935365 /nfs/dbraw/zinc/93/53/65/1101935365.db2.gz KVVSNILYFLJLRO-PGRDOPGGSA-N 0 1 357.413 4.036 20 30 FIEDMN N#CC(C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1ccncn1 ZINC000760356313 1101936672 /nfs/dbraw/zinc/93/66/72/1101936672.db2.gz GILSTFWDAFRKHW-LBPRGKRZSA-N 0 1 362.216 4.013 20 30 FIEDMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000127560074 1101974772 /nfs/dbraw/zinc/97/47/72/1101974772.db2.gz KIYFUPOSEOVIFI-KGLIPLIRSA-N 0 1 371.868 4.207 20 30 FIEDMN CC(C)Cn1ncc(C(=O)Nc2cc(C#N)ccc2O)c1-c1ccccc1 ZINC000760469386 1101983303 /nfs/dbraw/zinc/98/33/03/1101983303.db2.gz CUTLFPFGSKYDMH-UHFFFAOYSA-N 0 1 360.417 4.036 20 30 FIEDMN COc1cc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)ccc1OC(F)F ZINC000299735137 1102225667 /nfs/dbraw/zinc/22/56/67/1102225667.db2.gz GRCHIASJWAPJSU-RQOWECAXSA-N 0 1 356.271 4.177 20 30 FIEDMN Cc1cc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n[nH]1 ZINC000120742969 1102244903 /nfs/dbraw/zinc/24/49/03/1102244903.db2.gz UWIJTWSVSFANSV-SFHVURJKSA-N 0 1 364.836 4.208 20 30 FIEDMN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cn[nH]c1-c1ccccc1 ZINC000123519639 1102256370 /nfs/dbraw/zinc/25/63/70/1102256370.db2.gz YROFBGGRWSVMMN-UHFFFAOYSA-N 0 1 364.408 4.124 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](c1ncccc1C)C(C)C ZINC000120908525 1102297073 /nfs/dbraw/zinc/29/70/73/1102297073.db2.gz DHSBBFCQYRNRFW-MJGOQNOKSA-N 0 1 371.550 4.342 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1C(C)(C)C ZINC000532581794 1102503383 /nfs/dbraw/zinc/50/33/83/1102503383.db2.gz VGRMVJKPNLWNJP-YJBOKZPZSA-N 0 1 359.539 4.387 20 30 FIEDMN Cc1cccc([C@H]2CCC[N@H+]2CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000532648257 1102696232 /nfs/dbraw/zinc/69/62/32/1102696232.db2.gz IDWMTLMAAHQDFD-LJQANCHMSA-N 0 1 360.379 4.477 20 30 FIEDMN Cc1cccc([C@H]2CCCN2CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000532648257 1102696238 /nfs/dbraw/zinc/69/62/38/1102696238.db2.gz IDWMTLMAAHQDFD-LJQANCHMSA-N 0 1 360.379 4.477 20 30 FIEDMN C=C(C)[C@H](NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)c1ccc(F)c(F)c1 ZINC000476751985 1102755047 /nfs/dbraw/zinc/75/50/47/1102755047.db2.gz BAJGNDHNQVPGMB-LIRRHRJNSA-N 0 1 373.447 4.350 20 30 FIEDMN N#Cc1cc(O)cc(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c1 ZINC000617419190 1102780940 /nfs/dbraw/zinc/78/09/40/1102780940.db2.gz SOZOFLMDFWKRNP-UHFFFAOYSA-N 0 1 354.369 4.059 20 30 FIEDMN CCCCCCCCOc1ccc(-c2noc([C@@H]3C[C@](C)(O)CN3)n2)cc1 ZINC001211935313 1102813400 /nfs/dbraw/zinc/81/34/00/1102813400.db2.gz LBVALAGWRMSIAG-RXVVDRJESA-N 0 1 373.497 4.261 20 30 FIEDMN Cc1cc(C)cc(CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000729673770 1103006392 /nfs/dbraw/zinc/00/63/92/1103006392.db2.gz GRZXTUJEBZHUTL-UHFFFAOYSA-N 0 1 353.422 4.363 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(C)cc2OC)no1 ZINC001211975673 1103134607 /nfs/dbraw/zinc/13/46/07/1103134607.db2.gz NFHMERWHXHPBCB-AEFFLSMTSA-N 0 1 373.497 4.132 20 30 FIEDMN Cc1nc2cccc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2[nH]1 ZINC000427025660 1103177049 /nfs/dbraw/zinc/17/70/49/1103177049.db2.gz DDAUYSPEOWFDHA-UHFFFAOYSA-N 0 1 369.384 4.183 20 30 FIEDMN Cc1sc(NC(=O)CN(C)[C@H](C)Cc2ccc(C)cc2)c(C#N)c1C ZINC000427028497 1103179198 /nfs/dbraw/zinc/17/91/98/1103179198.db2.gz MMHUPSOTTSSIOQ-CQSZACIVSA-N 0 1 355.507 4.047 20 30 FIEDMN C=C(C)COc1cc(CN2CCC(Oc3ccccn3)CC2)ccc1OC ZINC000507663220 1103602549 /nfs/dbraw/zinc/60/25/49/1103602549.db2.gz AMQJWKVZEICEEX-UHFFFAOYSA-N 0 1 368.477 4.089 20 30 FIEDMN Cc1[nH]nc2cc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)ccc12 ZINC000537705844 1103779800 /nfs/dbraw/zinc/77/98/00/1103779800.db2.gz ITEXNAWUBMGISM-UHFFFAOYSA-N 0 1 372.384 4.167 20 30 FIEDMN CSc1ccccc1[C@H](C)N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000440638685 1103845562 /nfs/dbraw/zinc/84/55/62/1103845562.db2.gz OOODWTMDTDVFJL-DLBZAZTESA-N 0 1 367.518 4.394 20 30 FIEDMN COCc1cc(CNCc2ccc(C#N)cc2C(F)(F)F)ccc1F ZINC000519793447 1103857834 /nfs/dbraw/zinc/85/78/34/1103857834.db2.gz QQFKWYIZQNCCGN-UHFFFAOYSA-N 0 1 352.331 4.152 20 30 FIEDMN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(F)cc1C(F)(F)F ZINC000519850225 1103901475 /nfs/dbraw/zinc/90/14/75/1103901475.db2.gz OYUIUZNVNQZXME-UHFFFAOYSA-N 0 1 366.358 4.365 20 30 FIEDMN N#CCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1 ZINC000533937989 1103947958 /nfs/dbraw/zinc/94/79/58/1103947958.db2.gz HNDLGFFJTJFUEK-QFIPXVFZSA-N 0 1 366.424 4.148 20 30 FIEDMN Cc1cccc(S(=O)(=O)Nc2ccc(COC3CCCC3)cc2)c1C#N ZINC000440837897 1103981005 /nfs/dbraw/zinc/98/10/05/1103981005.db2.gz ZHUSRYNDZDLKMR-UHFFFAOYSA-N 0 1 370.474 4.127 20 30 FIEDMN COCCSc1ccc([C@H](C)NCc2cc(C#N)ccc2OC)cc1 ZINC000538205752 1104018711 /nfs/dbraw/zinc/01/87/11/1104018711.db2.gz OIPBZMJGANSHNZ-HNNXBMFYSA-N 0 1 356.491 4.156 20 30 FIEDMN CC1(C)CN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000441061094 1104095397 /nfs/dbraw/zinc/09/53/97/1104095397.db2.gz IPTBXILYJQFNQG-NRFANRHFSA-N 0 1 361.489 4.059 20 30 FIEDMN N#Cc1ccc(-c2nnc(CN3CCC[C@H](Cc4ccccc4)C3)o2)cc1 ZINC000441307781 1104267800 /nfs/dbraw/zinc/26/78/00/1104267800.db2.gz FDIIYPWZIBQMQM-LJQANCHMSA-N 0 1 358.445 4.063 20 30 FIEDMN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441395872 1104329466 /nfs/dbraw/zinc/32/94/66/1104329466.db2.gz AYLNFKOYJKQQNG-CQSZACIVSA-N 0 1 366.852 4.325 20 30 FIEDMN N#Cc1cccc(-c2nnc(CN3CC[C@@H](c4ccc(Cl)cc4)C3)o2)c1 ZINC000441410601 1104337041 /nfs/dbraw/zinc/33/70/41/1104337041.db2.gz LGOGBMFLFCVPMA-QGZVFWFLSA-N 0 1 364.836 4.251 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cc(C(C)C)nn3C)n2)cc1 ZINC000473927509 1104397661 /nfs/dbraw/zinc/39/76/61/1104397661.db2.gz JPEBSAJKHZLCII-OAHLLOKOSA-N 0 1 364.474 4.466 20 30 FIEDMN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1CCC[C@@](C)(c3ccccc3)C1)CCC2 ZINC000328665768 1104528719 /nfs/dbraw/zinc/52/87/19/1104528719.db2.gz ZMKCKVYMFBQPDC-PGRDOPGGSA-N 0 1 366.509 4.037 20 30 FIEDMN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1CCC[C@](C)(c3ccccc3)C1)CCC2 ZINC000328665758 1104528965 /nfs/dbraw/zinc/52/89/65/1104528965.db2.gz ZMKCKVYMFBQPDC-AVRDEDQJSA-N 0 1 366.509 4.037 20 30 FIEDMN O=C(NCCN1CCC2(CCCCC2)CC1)[C@H]1CCC(=O)c2cccn21 ZINC000328719920 1104533416 /nfs/dbraw/zinc/53/34/16/1104533416.db2.gz QKRAGZGCDLRTJI-GOSISDBHSA-N 0 1 357.498 4.009 20 30 FIEDMN CC[NH+]=C([O-])N1CCc2ccc(NC(=O)c3coc(C4CCCC4)n3)cc21 ZINC000328788079 1104567540 /nfs/dbraw/zinc/56/75/40/1104567540.db2.gz JXGUTADIDKHWFE-UHFFFAOYSA-N 0 1 368.437 4.265 20 30 FIEDMN CC[C@H](C)C[C@@H](C)NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000330737252 1104673483 /nfs/dbraw/zinc/67/34/83/1104673483.db2.gz XYHIFOULHBAMBG-QWHCGFSZSA-N 0 1 360.424 4.278 20 30 FIEDMN C=CCC[C@@H](C(=O)NCCc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000190004455 1104871394 /nfs/dbraw/zinc/87/13/94/1104871394.db2.gz ZYBWUQMATQVMSF-QGZVFWFLSA-N 0 1 351.425 4.111 20 30 FIEDMN N#Cc1ccc(OC2CCN(Cc3cc(F)cc4cccnc43)CC2)cc1 ZINC000507774183 1104971781 /nfs/dbraw/zinc/97/17/81/1104971781.db2.gz WNNBHSSLSITXBV-UHFFFAOYSA-N 0 1 361.420 4.289 20 30 FIEDMN Cc1ncc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cc1C#N ZINC000427767654 1105270298 /nfs/dbraw/zinc/27/02/98/1105270298.db2.gz QAFIABMJGKFCLF-UHFFFAOYSA-N 0 1 357.479 4.309 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000427983848 1105336646 /nfs/dbraw/zinc/33/66/46/1105336646.db2.gz VWESEYMMPUESJM-OAHLLOKOSA-N 0 1 369.515 4.176 20 30 FIEDMN Cc1ccccc1[C@@H](CO)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000530619048 1107199633 /nfs/dbraw/zinc/19/96/33/1107199633.db2.gz BSUFNYQQLLEBNV-XMMPIXPASA-N 0 1 372.468 4.269 20 30 FIEDMN N#Cc1cccc(CC(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1 ZINC000530674128 1107246327 /nfs/dbraw/zinc/24/63/27/1107246327.db2.gz SCTPSQHGJCSYRN-UHFFFAOYSA-N 0 1 370.387 4.422 20 30 FIEDMN C=C[C@@H]1OCCC[C@H]1NCc1csc(-c2ccc(OCC)c(OC)c2)n1 ZINC000451684719 1107265598 /nfs/dbraw/zinc/26/55/98/1107265598.db2.gz YBQBBBRJIHBHKM-SJORKVTESA-N 0 1 374.506 4.041 20 30 FIEDMN CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1cccc(F)c1C#N ZINC000428349496 1107405795 /nfs/dbraw/zinc/40/57/95/1107405795.db2.gz VVACTHYVRJLPEH-UHFFFAOYSA-N 0 1 367.346 4.058 20 30 FIEDMN COc1ccc(C2(NCC#Cc3ccc(Cl)cc3)CCOCC2)cc1F ZINC000444805167 1108181281 /nfs/dbraw/zinc/18/12/81/1108181281.db2.gz SYVXMSXZLRROGB-UHFFFAOYSA-N 0 1 373.855 4.135 20 30 FIEDMN CC1CC(C#N)(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)C1 ZINC000532064744 1108601235 /nfs/dbraw/zinc/60/12/35/1108601235.db2.gz PZHALKNSHRVCBY-UHFFFAOYSA-N 0 1 362.408 4.171 20 30 FIEDMN C[C@H](N[C@@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1ccccc1C#N ZINC000475698858 1108817930 /nfs/dbraw/zinc/81/79/30/1108817930.db2.gz OPNJUWMSSMEQDS-STQMWFEESA-N 0 1 351.381 4.121 20 30 FIEDMN COc1ccc(-c2nc3cc(C)c(OC)cc3[nH]2)cc1OCCCC#N ZINC000446148781 1109123789 /nfs/dbraw/zinc/12/37/89/1109123789.db2.gz XGVVUWQHDWZRRR-UHFFFAOYSA-N 0 1 351.406 4.238 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000524890085 1109196690 /nfs/dbraw/zinc/19/66/90/1109196690.db2.gz YJAKMXITTPXLHC-PGRDOPGGSA-N 0 1 366.480 4.288 20 30 FIEDMN N#Cc1cccc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000475643978 1109256024 /nfs/dbraw/zinc/25/60/24/1109256024.db2.gz XFELEEHRAOATEG-MRXNPFEDSA-N 0 1 354.759 4.054 20 30 FIEDMN C=CCc1ccccc1OC[C@H](O)CN(C)[C@H](C)c1sc(CC)nc1C ZINC000525634957 1109463108 /nfs/dbraw/zinc/46/31/08/1109463108.db2.gz BDLCPNSMAMGTED-SJLPKXTDSA-N 0 1 374.550 4.175 20 30 FIEDMN Cn1ncc(C(=O)C(C#N)c2nccc3ccccc32)c1Cc1ccccc1 ZINC000447632387 1109604112 /nfs/dbraw/zinc/60/41/12/1109604112.db2.gz IYFUIWUCFOSKIY-LJQANCHMSA-N 0 1 366.424 4.049 20 30 FIEDMN N#Cc1ccc(N2CCC[C@H](N(Cc3ccco3)C3CCCC3)C2=O)cc1 ZINC000447851429 1109659608 /nfs/dbraw/zinc/65/96/08/1109659608.db2.gz RLGLDJLJQNTOBB-NRFANRHFSA-N 0 1 363.461 4.091 20 30 FIEDMN N#Cc1csc(CN[C@@H]2CCc3c2ccc(F)c3Br)c1 ZINC000449547584 1110105962 /nfs/dbraw/zinc/10/59/62/1110105962.db2.gz IWPMGKJOATUVNE-CQSZACIVSA-N 0 1 351.244 4.298 20 30 FIEDMN COc1ccc(Cl)c(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000528777695 1110110204 /nfs/dbraw/zinc/11/02/04/1110110204.db2.gz CWSLHDNNGRTWNB-UHFFFAOYSA-N 0 1 356.853 4.016 20 30 FIEDMN Cc1ccc(OC(F)F)c(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000528784763 1110112298 /nfs/dbraw/zinc/11/22/98/1110112298.db2.gz QAUSCRMXKRRJPX-UHFFFAOYSA-N 0 1 372.415 4.264 20 30 FIEDMN N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc4occc4c3)CC2)cc1 ZINC000529282060 1110242177 /nfs/dbraw/zinc/24/21/77/1110242177.db2.gz HXMSPXPCGJCCGR-UHFFFAOYSA-N 0 1 374.444 4.044 20 30 FIEDMN CCc1nc2ccccc2n1C1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000538957753 1111358588 /nfs/dbraw/zinc/35/85/88/1111358588.db2.gz DKODMPXDXVJLRG-UHFFFAOYSA-N 0 1 361.464 4.426 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4nc(C)c(C#N)cc4Cl)C3)[nH]c2c1 ZINC000461936422 1111433314 /nfs/dbraw/zinc/43/33/14/1111433314.db2.gz QSPZGXNPWIFEKA-CQSZACIVSA-N 0 1 365.868 4.484 20 30 FIEDMN COc1ccc([C@@H](C)NCC#Cc2ccc(F)cc2)cc1Br ZINC000539269542 1111493306 /nfs/dbraw/zinc/49/33/06/1111493306.db2.gz BHRHPCLUPGNDRX-CYBMUJFWSA-N 0 1 362.242 4.299 20 30 FIEDMN N#CC(C(=O)c1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1 ZINC000041502263 1111521853 /nfs/dbraw/zinc/52/18/53/1111521853.db2.gz FTYJHUVHMGONCK-MRXNPFEDSA-N 0 1 358.426 4.031 20 30 FIEDMN CCOc1ccc([C@@H](CNCCC#N)c2c[nH]c3ccccc32)cc1OC ZINC000552051620 1111555565 /nfs/dbraw/zinc/55/55/65/1111555565.db2.gz RVEXAMLSTJZQTK-GOSISDBHSA-N 0 1 363.461 4.210 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)n1 ZINC000041516762 1111580574 /nfs/dbraw/zinc/58/05/74/1111580574.db2.gz HKOQUFHPCOWLFT-CQSZACIVSA-N 0 1 356.838 4.089 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2cc3c(s2)-c2ccccc2CC3)nc(C)n1 ZINC000041574860 1111723683 /nfs/dbraw/zinc/72/36/83/1111723683.db2.gz HRRMMCTZHCGMCR-KRWDZBQOSA-N 0 1 359.454 4.411 20 30 FIEDMN C=CCN(CCC#N)C(=O)[C@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC000552779601 1111810012 /nfs/dbraw/zinc/81/00/12/1111810012.db2.gz PWQIAFPBEZZHIZ-KRWDZBQOSA-N 0 1 367.415 4.017 20 30 FIEDMN C[C@H](Oc1cccc(F)c1)C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000097334959 1111947114 /nfs/dbraw/zinc/94/71/14/1111947114.db2.gz DBRMCQFQTVJDCL-JTQLQIEISA-N 0 1 360.776 4.320 20 30 FIEDMN Cc1ccc(/C=C/CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 ZINC000479272151 1111983659 /nfs/dbraw/zinc/98/36/59/1111983659.db2.gz GPAFEUUKEOPDDY-VMPITWQZSA-N 0 1 373.500 4.073 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3c3ccc(C(F)(F)F)c(C#N)n3)[nH]c2c1 ZINC000554523787 1112390108 /nfs/dbraw/zinc/39/01/08/1112390108.db2.gz JROXZLHFYRXADF-MRXNPFEDSA-N 0 1 371.366 4.498 20 30 FIEDMN CN(Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480515427 1112460676 /nfs/dbraw/zinc/46/06/76/1112460676.db2.gz YAHKEXAZOPHWTC-UHFFFAOYSA-N 0 1 361.420 4.303 20 30 FIEDMN C=C(C)[C@H](N[C@@H](C)Cn1cc(Br)cn1)c1ccc(F)c(F)c1 ZINC000480693935 1112548874 /nfs/dbraw/zinc/54/88/74/1112548874.db2.gz DWORRBFPUPIIQA-ZBEGNZNMSA-N 0 1 370.241 4.219 20 30 FIEDMN N#Cc1ccc(OC2CCN(C/C=C\c3ccc(F)cc3)CC2)c(F)c1 ZINC000554878074 1112550011 /nfs/dbraw/zinc/55/00/11/1112550011.db2.gz FJXWOQAOIISLCB-UPHRSURJSA-N 0 1 354.400 4.393 20 30 FIEDMN N#Cc1ccc(CN2CC[C@@H](Sc3ccc(Br)cc3)C2)o1 ZINC000600187384 1112915900 /nfs/dbraw/zinc/91/59/00/1112915900.db2.gz XVHBDXAXBYJPRS-MRXNPFEDSA-N 0 1 363.280 4.280 20 30 FIEDMN COc1cc(CN[C@@H](C)c2ccc(F)c(Br)c2)ccc1C#N ZINC000555612334 1112946021 /nfs/dbraw/zinc/94/60/21/1112946021.db2.gz WHHSNIVDYHZLCZ-NSHDSACASA-N 0 1 363.230 4.319 20 30 FIEDMN CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000482582358 1113302892 /nfs/dbraw/zinc/30/28/92/1113302892.db2.gz OXTDTZFZZDVPKP-ZWNOBZJWSA-N 0 1 350.344 4.066 20 30 FIEDMN CC[C@@H](C)n1ncc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000482582358 1113302896 /nfs/dbraw/zinc/30/28/96/1113302896.db2.gz OXTDTZFZZDVPKP-ZWNOBZJWSA-N 0 1 350.344 4.066 20 30 FIEDMN N#C[C@@H](C(=O)c1ccn(-c2ccccc2F)n1)c1nccc2ccccc21 ZINC000483192615 1113464095 /nfs/dbraw/zinc/46/40/95/1113464095.db2.gz DGDXOJBVBSVZKG-MRXNPFEDSA-N 0 1 356.360 4.050 20 30 FIEDMN N#CC(C(=O)c1ccn(-c2ccccc2F)n1)c1nccc2ccccc21 ZINC000483192615 1113464097 /nfs/dbraw/zinc/46/40/97/1113464097.db2.gz DGDXOJBVBSVZKG-MRXNPFEDSA-N 0 1 356.360 4.050 20 30 FIEDMN CC(C)(C)c1nnc2ccc(C(=O)C(C#N)c3nccc4ccccc43)cn21 ZINC000483212599 1113466224 /nfs/dbraw/zinc/46/62/24/1113466224.db2.gz JSTZRRBVQLQENU-KRWDZBQOSA-N 0 1 369.428 4.065 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nccc3ccccc32)cnn1-c1ccccc1 ZINC000483221290 1113467732 /nfs/dbraw/zinc/46/77/32/1113467732.db2.gz YRGJEFKKQKURLY-IBGZPJMESA-N 0 1 352.397 4.219 20 30 FIEDMN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000483258824 1113475587 /nfs/dbraw/zinc/47/55/87/1113475587.db2.gz CRXXDCMUGMRPFV-UHFFFAOYSA-N 0 1 363.383 4.305 20 30 FIEDMN N#Cc1csc(CN[C@@H]2CSc3ccc(Br)cc32)c1 ZINC000486804019 1113653497 /nfs/dbraw/zinc/65/34/97/1113653497.db2.gz RRHKOWVMAOQWHQ-CYBMUJFWSA-N 0 1 351.294 4.319 20 30 FIEDMN C=CCCCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC000911253322 1113963214 /nfs/dbraw/zinc/96/32/14/1113963214.db2.gz SZAVNXSJBSAQMM-SFHVURJKSA-N 0 1 374.282 4.003 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000489016998 1114032842 /nfs/dbraw/zinc/03/28/42/1114032842.db2.gz NLIBSQRKOXUNIP-KRWDZBQOSA-N 0 1 353.441 4.065 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1ccc(OC)c(C)c1 ZINC000489123230 1114052463 /nfs/dbraw/zinc/05/24/63/1114052463.db2.gz UHYAFLYVNVJNIG-KRWDZBQOSA-N 0 1 372.534 4.100 20 30 FIEDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000489126026 1114052936 /nfs/dbraw/zinc/05/29/36/1114052936.db2.gz BAOWJKAREORDJU-MRXNPFEDSA-N 0 1 365.433 4.379 20 30 FIEDMN Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C)sc2nccc(C)c12 ZINC000489913147 1114191774 /nfs/dbraw/zinc/19/17/74/1114191774.db2.gz QGGTUWQUUJVFJG-ZDUSSCGKSA-N 0 1 360.442 4.290 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nc3ccccc3n2C)sc2nccc(C)c12 ZINC000489913147 1114191777 /nfs/dbraw/zinc/19/17/77/1114191777.db2.gz QGGTUWQUUJVFJG-ZDUSSCGKSA-N 0 1 360.442 4.290 20 30 FIEDMN N#Cc1cc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)ccc1F ZINC000490007480 1114201546 /nfs/dbraw/zinc/20/15/46/1114201546.db2.gz BHIQRWNHIHNPQD-HNNXBMFYSA-N 0 1 355.482 4.412 20 30 FIEDMN C(=[NH+][N-]c1nc(-c2ccccc2)cs1)c1ccccc1N1CCOCC1 ZINC000912803707 1114208819 /nfs/dbraw/zinc/20/88/19/1114208819.db2.gz ZWLJXFSWFRPBNT-UHFFFAOYSA-N 0 1 364.474 4.093 20 30 FIEDMN CCn1c2ccccc2nc1[C@@H]1CCCN1CCOc1ccc(C#N)cc1 ZINC000490166491 1114228327 /nfs/dbraw/zinc/22/83/27/1114228327.db2.gz YBELKHLWQGWUPZ-NRFANRHFSA-N 0 1 360.461 4.144 20 30 FIEDMN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000490329357 1114273296 /nfs/dbraw/zinc/27/32/96/1114273296.db2.gz VOSISKDUYVJWND-AWEZNQCLSA-N 0 1 354.400 4.492 20 30 FIEDMN CCN(C(=O)CN[C@H](C)c1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000571181667 1114437685 /nfs/dbraw/zinc/43/76/85/1114437685.db2.gz SXNSDAUKAGULSO-QGZVFWFLSA-N 0 1 357.457 4.415 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CNCc2cnc(Cl)c(C)c2)ccc1OC ZINC000760676378 1114514913 /nfs/dbraw/zinc/51/49/13/1114514913.db2.gz ZREXAMDQZQCBHC-INIZCTEOSA-N 0 1 359.857 4.023 20 30 FIEDMN N#Cc1ccc(OC2CCN(c3ccnc4cc(F)ccc43)CC2)c(F)c1 ZINC000588076338 1114520058 /nfs/dbraw/zinc/52/00/58/1114520058.db2.gz AEWDCTMNZPHJHB-UHFFFAOYSA-N 0 1 365.383 4.432 20 30 FIEDMN CN1CC[C@@H](CNC(=O)CCCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000588162849 1114531482 /nfs/dbraw/zinc/53/14/82/1114531482.db2.gz JYSCQMIRZXTXHX-HNAYVOBHSA-N 0 1 365.880 4.062 20 30 FIEDMN COc1ccc(C#N)cc1CN[C@H](C)c1ccc(F)c(Br)c1 ZINC000590192899 1114905392 /nfs/dbraw/zinc/90/53/92/1114905392.db2.gz IPGLCHQKGVRVCZ-LLVKDONJSA-N 0 1 363.230 4.319 20 30 FIEDMN Cc1nc(CC(C)C)sc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000590208515 1114906613 /nfs/dbraw/zinc/90/66/13/1114906613.db2.gz SDHQZVBVISLUQG-CYBMUJFWSA-N 0 1 352.463 4.027 20 30 FIEDMN N#CC1(CCCN2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CCOCC1 ZINC000590741495 1114971410 /nfs/dbraw/zinc/97/14/10/1114971410.db2.gz PBZITNSGTYGLLA-GOSISDBHSA-N 0 1 372.900 4.454 20 30 FIEDMN C[C@H]1Cc2c(C#N)c(NC(=O)c3ccc4cncn4c3)sc2[C@H](C)C1 ZINC000590999670 1115007808 /nfs/dbraw/zinc/00/78/08/1115007808.db2.gz UMQQCOVOAZQIJK-VXGBXAGGSA-N 0 1 350.447 4.206 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C2CCC2)C1 ZINC000591063306 1115021461 /nfs/dbraw/zinc/02/14/61/1115021461.db2.gz ORJJOUUOKUAPNK-RDJZCZTQSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C2CCC2)C1 ZINC000591063307 1115021764 /nfs/dbraw/zinc/02/17/64/1115021764.db2.gz ORJJOUUOKUAPNK-WBVHZDCISA-N 0 1 357.523 4.141 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3c3nc(C)c(C#N)cc3Cl)[nH]c2c1 ZINC000573892042 1115194735 /nfs/dbraw/zinc/19/47/35/1115194735.db2.gz YWUHMCWLWGINLM-QGZVFWFLSA-N 0 1 351.841 4.441 20 30 FIEDMN CC[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1F ZINC000593065550 1115279787 /nfs/dbraw/zinc/27/97/87/1115279787.db2.gz XOBLCXAKXMQQNN-QRWLVFNGSA-N 0 1 371.431 4.341 20 30 FIEDMN COc1ccc(/C=C\C(=O)c2ccc(C)cc2O)c(Br)c1O ZINC000761012447 1115297300 /nfs/dbraw/zinc/29/73/00/1115297300.db2.gz RRWBNGPXCMGNRC-DAXSKMNVSA-N 0 1 363.207 4.073 20 30 FIEDMN CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593190075 1115304953 /nfs/dbraw/zinc/30/49/53/1115304953.db2.gz DSADRAABSAKWNC-UHFFFAOYSA-N 0 1 372.490 4.292 20 30 FIEDMN CC(C)(C#N)c1ccc(CN[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000594500028 1115450598 /nfs/dbraw/zinc/45/05/98/1115450598.db2.gz GUOUSJUZJDQZGA-GOSISDBHSA-N 0 1 367.880 4.036 20 30 FIEDMN Cc1nn2c(CNC3(c4ccc(C#N)cc4)CCC3)c(C(C)C)nc2s1 ZINC000594624394 1115469104 /nfs/dbraw/zinc/46/91/04/1115469104.db2.gz OJEYTPINLWNNHL-UHFFFAOYSA-N 0 1 365.506 4.263 20 30 FIEDMN C[C@@](CO)(NCc1ccc(C2(C#N)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000594919484 1115489727 /nfs/dbraw/zinc/48/97/27/1115489727.db2.gz AFBYOUNNZNBGEE-IBGZPJMESA-N 0 1 374.406 4.258 20 30 FIEDMN N#CC1(c2ccc(CN[C@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2)CC1 ZINC000594918811 1115489731 /nfs/dbraw/zinc/48/97/31/1115489731.db2.gz SRPCDAJCALGHOY-NHCUHLMSSA-N 0 1 350.437 4.391 20 30 FIEDMN N#Cc1csc(CN[C@@H]2CSCc3ccc(Br)cc32)c1 ZINC000594973391 1115500015 /nfs/dbraw/zinc/50/00/15/1115500015.db2.gz AEJISDAQKXMSCN-OAHLLOKOSA-N 0 1 365.321 4.460 20 30 FIEDMN CCOCCOc1cc(C)ccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594931780 1115500365 /nfs/dbraw/zinc/50/03/65/1115500365.db2.gz IFZQJHOKVDQHNQ-UHFFFAOYSA-N 0 1 364.489 4.255 20 30 FIEDMN N#Cc1cccc(C2(NCc3cccc(OC4CC4)c3F)CCOCC2)c1 ZINC000594981145 1115504928 /nfs/dbraw/zinc/50/49/28/1115504928.db2.gz VTWMLFVDKHTEAL-UHFFFAOYSA-N 0 1 366.436 4.034 20 30 FIEDMN C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC1(C#N)CCCCC1 ZINC000595092158 1115517781 /nfs/dbraw/zinc/51/77/81/1115517781.db2.gz YACBLNIQXOCBIW-INIZCTEOSA-N 0 1 361.917 4.141 20 30 FIEDMN CCN(C(=O)CNC(C)(C)c1cccc(C#N)c1)[C@H](C)c1ccc(F)cc1 ZINC000595641056 1115554217 /nfs/dbraw/zinc/55/42/17/1115554217.db2.gz YHLKXBZWIHEVDU-MRXNPFEDSA-N 0 1 367.468 4.132 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595785684 1115563261 /nfs/dbraw/zinc/56/32/61/1115563261.db2.gz FYZQKGKDQUXHKW-CRAIPNDOSA-N 0 1 363.299 4.102 20 30 FIEDMN COc1cc2nccc(N3CCC[C@H](CC#N)C3)c2cc1Br ZINC000596326516 1115584051 /nfs/dbraw/zinc/58/40/51/1115584051.db2.gz ULCOSBUDLGFJIL-GFCCVEGCSA-N 0 1 360.255 4.136 20 30 FIEDMN CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1c1cccnc1 ZINC000596594968 1115600366 /nfs/dbraw/zinc/60/03/66/1115600366.db2.gz WCNZVBHMGUZCOU-IBGZPJMESA-N 0 1 368.868 4.018 20 30 FIEDMN CC1(C)CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1c1cccnc1 ZINC000596594968 1115600367 /nfs/dbraw/zinc/60/03/67/1115600367.db2.gz WCNZVBHMGUZCOU-IBGZPJMESA-N 0 1 368.868 4.018 20 30 FIEDMN N#CC[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000597173928 1115646091 /nfs/dbraw/zinc/64/60/91/1115646091.db2.gz NTKZOPVDZFSIAA-SFHVURJKSA-N 0 1 357.461 4.060 20 30 FIEDMN CC(C)[C@@H](O)[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000597226280 1115650960 /nfs/dbraw/zinc/65/09/60/1115650960.db2.gz KSDBXDLTHQMADI-RBUKOAKNSA-N 0 1 362.395 4.425 20 30 FIEDMN CCCCCc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n[nH]1 ZINC000597323487 1115659055 /nfs/dbraw/zinc/65/90/55/1115659055.db2.gz ZPTNBZWRYXOEKT-UYAOXDASSA-N 0 1 350.466 4.054 20 30 FIEDMN C[C@@H](CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)CC(C)(C)C ZINC000593356345 1115668354 /nfs/dbraw/zinc/66/83/54/1115668354.db2.gz XNESVQXRVGMHOZ-KRWDZBQOSA-N 0 1 355.526 4.101 20 30 FIEDMN C[C@H]1Cc2c(C#N)c(NC(=O)c3ocnc3C(F)F)sc2[C@@H](C)C1 ZINC000602342935 1115699751 /nfs/dbraw/zinc/69/97/51/1115699751.db2.gz NIUKIMYZVVXSLB-SFYZADRCSA-N 0 1 351.378 4.483 20 30 FIEDMN N#CC(C(=O)c1cnn(-c2ccccc2F)c1)c1nc2ccccc2s1 ZINC000060766602 1115702352 /nfs/dbraw/zinc/70/23/52/1115702352.db2.gz JABDNRKFFSAZDM-CYBMUJFWSA-N 0 1 362.389 4.111 20 30 FIEDMN O=[N+]([O-])c1ccc(NN=Cc2c(Cl)oc3ccccc23)c([N+](=O)[O-])c1 ZINC000761250375 1115702476 /nfs/dbraw/zinc/70/24/76/1115702476.db2.gz PMKHZEXGXWLGLR-UHFFFAOYSA-N 0 1 360.713 4.349 20 30 FIEDMN CCOc1ccc([C@@H](NCc2cccc(C#N)n2)C(C)C)cc1OCC ZINC000602501325 1115706640 /nfs/dbraw/zinc/70/66/40/1115706640.db2.gz FWYNIXVYTZRTPX-NRFANRHFSA-N 0 1 353.466 4.238 20 30 FIEDMN CC(C)(C)c1ccc(C#N)c(NC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000593516001 1115710765 /nfs/dbraw/zinc/71/07/65/1115710765.db2.gz WGEASWKPPOFBTH-UHFFFAOYSA-N 0 1 373.504 4.199 20 30 FIEDMN COc1ccccc1C[N@H+](Cc1cccs1)C[C@H](O)CC(C)(C)C#N ZINC000598590229 1115738705 /nfs/dbraw/zinc/73/87/05/1115738705.db2.gz SFWOIUXZGPTNOL-QGZVFWFLSA-N 0 1 358.507 4.060 20 30 FIEDMN COc1ccccc1CN(Cc1cccs1)C[C@H](O)CC(C)(C)C#N ZINC000598590229 1115738708 /nfs/dbraw/zinc/73/87/08/1115738708.db2.gz SFWOIUXZGPTNOL-QGZVFWFLSA-N 0 1 358.507 4.060 20 30 FIEDMN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ncc1Br ZINC000598982805 1115775537 /nfs/dbraw/zinc/77/55/37/1115775537.db2.gz OULOPWQJXPMYBR-SFHVURJKSA-N 0 1 356.267 4.191 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC2(CC2)CC1 ZINC000599672924 1115834788 /nfs/dbraw/zinc/83/47/88/1115834788.db2.gz KBDUHJWKYNAGKX-INIZCTEOSA-N 0 1 357.523 4.285 20 30 FIEDMN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000604183461 1115855853 /nfs/dbraw/zinc/85/58/53/1115855853.db2.gz YJTHFZPYGKLTJK-CYBMUJFWSA-N 0 1 372.384 4.101 20 30 FIEDMN N#CCOc1ccc(CNCc2ccccc2OCc2ccccc2)cc1 ZINC000171769803 1115875034 /nfs/dbraw/zinc/87/50/34/1115875034.db2.gz PWELUHJTNBFMIC-UHFFFAOYSA-N 0 1 358.441 4.458 20 30 FIEDMN N#CCOc1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000171769232 1115875066 /nfs/dbraw/zinc/87/50/66/1115875066.db2.gz VYBGGUBCUBXACG-UHFFFAOYSA-N 0 1 363.373 4.047 20 30 FIEDMN Cc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c(C)n1CC(F)(F)F ZINC000605362531 1115891093 /nfs/dbraw/zinc/89/10/93/1115891093.db2.gz IMUVXRSQUIVHOJ-AWEZNQCLSA-N 0 1 374.366 4.342 20 30 FIEDMN CC[C@@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1F ZINC000594019696 1115962276 /nfs/dbraw/zinc/96/22/76/1115962276.db2.gz RMVXCKBTNZJCHD-SJKOYZFVSA-N 0 1 371.481 4.315 20 30 FIEDMN CCCc1ncc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000173970461 1116102301 /nfs/dbraw/zinc/10/23/01/1116102301.db2.gz GHHXXQBHEKOHSG-HNNXBMFYSA-N 0 1 363.442 4.210 20 30 FIEDMN COc1ccc(CNCc2ccc(Oc3cccc(F)c3)nc2)cc1C#N ZINC000174326472 1116129466 /nfs/dbraw/zinc/12/94/66/1116129466.db2.gz OTLKTYZXMKEJKQ-UHFFFAOYSA-N 0 1 363.392 4.183 20 30 FIEDMN C=CCC[C@H](NC(=O)NCc1ccc(CN(C)C)c(F)c1)c1ccccc1 ZINC000534942834 1116254727 /nfs/dbraw/zinc/25/47/27/1116254727.db2.gz PCSSEIYNDRRHDA-NRFANRHFSA-N 0 1 369.484 4.394 20 30 FIEDMN CC(C)N(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccn1 ZINC000535081714 1116265473 /nfs/dbraw/zinc/26/54/73/1116265473.db2.gz HMWCMWSBNAOTME-UHFFFAOYSA-N 0 1 359.477 4.269 20 30 FIEDMN CC1(C)CN(C(=O)C2CC2)CCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000539614682 1116352976 /nfs/dbraw/zinc/35/29/76/1116352976.db2.gz ZKGZWIRGHFNVJB-UHFFFAOYSA-N 0 1 373.500 4.058 20 30 FIEDMN Cc1c2ccccc2oc1[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(C)C ZINC000540359831 1118013082 /nfs/dbraw/zinc/01/30/82/1118013082.db2.gz VPWLHRUTDCZGQW-FPOVZHCZSA-N 0 1 355.482 4.082 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CNC1(c2ccc(OC)cc2)CC1 ZINC000540359348 1118013226 /nfs/dbraw/zinc/01/32/26/1118013226.db2.gz IHCJVUSTTPJUNF-UHFFFAOYSA-N 0 1 368.502 4.191 20 30 FIEDMN Cc1cccc(S(=O)(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1Cl ZINC000540496222 1118092660 /nfs/dbraw/zinc/09/26/60/1118092660.db2.gz KSIKVWBSQARYED-UHFFFAOYSA-N 0 1 364.854 4.108 20 30 FIEDMN C[C@H]1CSc2ccc(Br)cc2[C@@H]1NCc1ccc(C#N)o1 ZINC000540601646 1118143046 /nfs/dbraw/zinc/14/30/46/1118143046.db2.gz NWQVZWLAXLHDKG-MGPLVRAMSA-N 0 1 363.280 4.486 20 30 FIEDMN N#Cc1cc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000463647086 1118263907 /nfs/dbraw/zinc/26/39/07/1118263907.db2.gz ABCPSBAKXJHVEH-KRWDZBQOSA-N 0 1 367.796 4.338 20 30 FIEDMN N#Cc1cccc(-c2c[nH]c(CN=c3ccc4c(Cl)cccc4[nH]3)n2)c1 ZINC000443511442 1118444163 /nfs/dbraw/zinc/44/41/63/1118444163.db2.gz SULJUNUWPUSZTF-UHFFFAOYSA-N 0 1 359.820 4.184 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c1 ZINC000464151693 1118458542 /nfs/dbraw/zinc/45/85/42/1118458542.db2.gz JSXAYYZJVYACCI-QHCPKHFHSA-N 0 1 363.505 4.377 20 30 FIEDMN N#CC(C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000541354441 1118488566 /nfs/dbraw/zinc/48/85/66/1118488566.db2.gz GXVKPVBMEDTMIT-CYBMUJFWSA-N 0 1 357.291 4.245 20 30 FIEDMN Cc1ccc2cc(C(=O)C(C#N)c3cc(C(F)(F)F)ccn3)ccc2n1 ZINC000464413426 1118547916 /nfs/dbraw/zinc/54/79/16/1118547916.db2.gz CWDAMJSEBOPYCR-HNNXBMFYSA-N 0 1 355.319 4.447 20 30 FIEDMN Cn1cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c2cc(F)ccc21 ZINC000464408321 1118554401 /nfs/dbraw/zinc/55/44/01/1118554401.db2.gz COLXBBZTUOCOJL-CYBMUJFWSA-N 0 1 361.298 4.221 20 30 FIEDMN CC[C@H](C)Oc1cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)ccn1 ZINC000464463654 1118570781 /nfs/dbraw/zinc/57/07/81/1118570781.db2.gz BTHXNABMDJCOOL-SMDDNHRTSA-N 0 1 363.339 4.163 20 30 FIEDMN CC[C@@H](C)Oc1cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)ccn1 ZINC000464463653 1118570866 /nfs/dbraw/zinc/57/08/66/1118570866.db2.gz BTHXNABMDJCOOL-RISCZKNCSA-N 0 1 363.339 4.163 20 30 FIEDMN CC[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1c(C)nn(C)c1C ZINC000541598052 1118574049 /nfs/dbraw/zinc/57/40/49/1118574049.db2.gz WSNYWRFKUYLNRT-QGZVFWFLSA-N 0 1 365.399 4.028 20 30 FIEDMN CCN(CC)[C@H](C(=O)N[C@H](C#N)C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000464716186 1118662703 /nfs/dbraw/zinc/66/27/03/1118662703.db2.gz ZQWWKDCLTGNYAD-CVEARBPZSA-N 0 1 369.431 4.143 20 30 FIEDMN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000464764978 1118685783 /nfs/dbraw/zinc/68/57/83/1118685783.db2.gz JIRXKXJZAZWDQS-WZONZLPQSA-N 0 1 363.505 4.401 20 30 FIEDMN CCC[C@]1(C)CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000464844691 1118718547 /nfs/dbraw/zinc/71/85/47/1118718547.db2.gz IYZSOHHOQVPFGV-XMSQKQJNSA-N 0 1 371.525 4.233 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(SC3CC3)cc2)n1 ZINC000542130767 1118799747 /nfs/dbraw/zinc/79/97/47/1118799747.db2.gz PTJCKGQMXSWAQB-AWEZNQCLSA-N 0 1 372.471 4.064 20 30 FIEDMN CC(C)COc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1Cl ZINC000030532183 1119018137 /nfs/dbraw/zinc/01/81/37/1119018137.db2.gz CZGNTFWFHPTPCV-UHFFFAOYSA-N 0 1 364.854 4.047 20 30 FIEDMN C[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)N(CCC#N)c1ccccc1 ZINC000173266715 1119029263 /nfs/dbraw/zinc/02/92/63/1119029263.db2.gz LFTCGIYHIKTQHJ-IRXDYDNUSA-N 0 1 361.445 4.419 20 30 FIEDMN CCCCNC(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271971094 1119057197 /nfs/dbraw/zinc/05/71/97/1119057197.db2.gz UOEFEBNZDRZHJT-HNNXBMFYSA-N 0 1 353.441 4.078 20 30 FIEDMN N#Cc1ccc(Br)c(CN(C[C@H]2CCCO2)C2CCCC2)c1 ZINC000492657417 1119153279 /nfs/dbraw/zinc/15/32/79/1119153279.db2.gz SQLWGHPGIZYDOJ-QGZVFWFLSA-N 0 1 363.299 4.244 20 30 FIEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)CC1CCC(C)(C)CC1 ZINC000152337720 1119210656 /nfs/dbraw/zinc/21/06/56/1119210656.db2.gz IZHJIKUGSIDYHF-MRXNPFEDSA-N 0 1 356.466 4.339 20 30 FIEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@H]1CCCCC1(C)C ZINC000152340526 1119212977 /nfs/dbraw/zinc/21/29/77/1119212977.db2.gz IQILRVHYVAMIAH-HZPDHXFCSA-N 0 1 356.466 4.339 20 30 FIEDMN COc1cccc(C(=O)C(C#N)c2nc(C(C)C)cs2)c1OC(F)F ZINC000177772182 1119350322 /nfs/dbraw/zinc/35/03/22/1119350322.db2.gz ZUHQKVRVOFAOSO-NSHDSACASA-N 0 1 366.389 4.367 20 30 FIEDMN COc1cccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1OC(F)F ZINC000177772182 1119350325 /nfs/dbraw/zinc/35/03/25/1119350325.db2.gz ZUHQKVRVOFAOSO-NSHDSACASA-N 0 1 366.389 4.367 20 30 FIEDMN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1cccc2[nH]ccc21 ZINC000494045725 1119529750 /nfs/dbraw/zinc/52/97/50/1119529750.db2.gz BYLYVRDLWCGRGT-CYBMUJFWSA-N 0 1 366.852 4.152 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc3[nH]ccc32)c1 ZINC000494099581 1119536832 /nfs/dbraw/zinc/53/68/32/1119536832.db2.gz SKWDCLXJICRVQD-UHFFFAOYSA-N 0 1 374.488 4.163 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)Cc2cccc3[nH]ccc32)c1 ZINC000494099581 1119536836 /nfs/dbraw/zinc/53/68/36/1119536836.db2.gz SKWDCLXJICRVQD-UHFFFAOYSA-N 0 1 374.488 4.163 20 30 FIEDMN Cc1[nH]ncc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000609164228 1119543176 /nfs/dbraw/zinc/54/31/76/1119543176.db2.gz JIYLYTVJIGXRLN-INIZCTEOSA-N 0 1 350.809 4.279 20 30 FIEDMN Cc1c(Br)scc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000186987597 1119759889 /nfs/dbraw/zinc/75/98/89/1119759889.db2.gz VYEAIIZTQYSBFQ-VIFPVBQESA-N 0 1 360.236 4.185 20 30 FIEDMN N#Cc1cccc(CNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)c1 ZINC000494557866 1119903887 /nfs/dbraw/zinc/90/38/87/1119903887.db2.gz CDUIMIJRMHMMJO-UHFFFAOYSA-N 0 1 370.378 4.112 20 30 FIEDMN Cc1ccc(CC(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cc1O ZINC000089436344 1120331653 /nfs/dbraw/zinc/33/16/53/1120331653.db2.gz KDSYBYJZMLUNOM-UHFFFAOYSA-N 0 1 358.401 4.470 20 30 FIEDMN Cc1cc(C)cc(OCCCn2[nH]c(C(C)(C)C)c(CCC#N)c2=O)c1 ZINC000465453425 1120359852 /nfs/dbraw/zinc/35/98/52/1120359852.db2.gz QOSKGNUPWDFVEQ-UHFFFAOYSA-N 0 1 355.482 4.428 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000915100789 1120800982 /nfs/dbraw/zinc/80/09/82/1120800982.db2.gz DZZQJBUOXQYHNS-CQSZACIVSA-N 0 1 357.335 4.011 20 30 FIEDMN N#C[C@H](C(=O)[C@@H]1Cc2ccccc2S1)c1nc2ccccc2n1C(F)F ZINC000915104138 1120812874 /nfs/dbraw/zinc/81/28/74/1120812874.db2.gz LXKNGHNLHILXCJ-WBMJQRKESA-N 0 1 369.396 4.325 20 30 FIEDMN CC(C)(C(=O)C(C#N)c1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1F ZINC000762997133 1121079119 /nfs/dbraw/zinc/07/91/19/1121079119.db2.gz UWVUOTVDIDIGTE-GFCCVEGCSA-N 0 1 367.336 4.029 20 30 FIEDMN COc1cc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)cc([N+](=O)[O-])c1O ZINC000763288705 1121318532 /nfs/dbraw/zinc/31/85/32/1121318532.db2.gz IQGJNLBYMWUKAU-ATDKOCKZSA-N 0 1 351.358 4.009 20 30 FIEDMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OC ZINC000915918029 1121348596 /nfs/dbraw/zinc/34/85/96/1121348596.db2.gz ZBLRBMGGZOTQPU-UHFFFAOYSA-N 0 1 359.735 4.217 20 30 FIEDMN Cc1ccc(-c2nn(-c3ccccc3)cc2CN=Nc2cc(C)nc(C)n2)o1 ZINC000915970545 1121357402 /nfs/dbraw/zinc/35/74/02/1121357402.db2.gz FXEJYIABNHSPKL-UHFFFAOYSA-N 0 1 372.432 4.294 20 30 FIEDMN O=C([O-])c1ccc(N[NH+]=Cc2cc3ccccc3nc2N2CCCCC2)cc1 ZINC000916240851 1121450053 /nfs/dbraw/zinc/45/00/53/1121450053.db2.gz QUOTUVNYOYBZRJ-UHFFFAOYSA-N 0 1 374.444 4.369 20 30 FIEDMN CC(=[NH+]Nc1cccc(C(=O)[O-])c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000916255403 1121453354 /nfs/dbraw/zinc/45/33/54/1121453354.db2.gz YOWWAHJGJBAXBU-UHFFFAOYSA-N 0 1 355.413 4.350 20 30 FIEDMN C=CCOc1ccc(CNCc2cnn(Cc3ccccc3Cl)c2)cc1 ZINC000671723974 1121544307 /nfs/dbraw/zinc/54/43/07/1121544307.db2.gz SJBHKABTFAWYCT-UHFFFAOYSA-N 0 1 367.880 4.439 20 30 FIEDMN C[C@H](C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)C(C)(F)F ZINC000496931507 1121557840 /nfs/dbraw/zinc/55/78/40/1121557840.db2.gz DHFRCFGWXNKYCS-ZCFIWIBFSA-N 0 1 371.256 4.447 20 30 FIEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Sc1ccccc1Cl ZINC000916875178 1121905203 /nfs/dbraw/zinc/90/52/03/1121905203.db2.gz VFPYGZRZYKAVBH-KGLIPLIRSA-N 0 1 366.914 4.226 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CC2(Cl)Cl)cc1 ZINC000131552785 1122029391 /nfs/dbraw/zinc/02/93/91/1122029391.db2.gz UEYNBRBDSOYYEN-BPNCWPANSA-N 0 1 353.249 4.041 20 30 FIEDMN CC(C)Oc1cc(Br)ccc1C(=O)C(C#N)c1ccccn1 ZINC000066506914 1122070298 /nfs/dbraw/zinc/07/02/98/1122070298.db2.gz JLVVKOBOCNPUBV-CQSZACIVSA-N 0 1 359.223 4.121 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc3c[nH]nc32)cc1 ZINC000131569504 1122085860 /nfs/dbraw/zinc/08/58/60/1122085860.db2.gz USQKGQPFXHIBIV-UGSOOPFHSA-N 0 1 360.417 4.038 20 30 FIEDMN C#CCOc1ccc(Br)cc1CNCc1sccc1C ZINC000085274785 1122155302 /nfs/dbraw/zinc/15/53/02/1122155302.db2.gz VXNHJVNCBCWSIS-UHFFFAOYSA-N 0 1 350.281 4.121 20 30 FIEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[C@H]1c1ccsc1 ZINC000917114603 1122163658 /nfs/dbraw/zinc/16/36/58/1122163658.db2.gz DSWLFBLNHVIKPA-AEFFLSMTSA-N 0 1 374.469 4.122 20 30 FIEDMN CN(CCC#N)c1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000154314945 1122227686 /nfs/dbraw/zinc/22/76/86/1122227686.db2.gz FZPADHPGVQKJDB-UHFFFAOYSA-N 0 1 364.449 4.109 20 30 FIEDMN CC(C)Oc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000056156994 1122296070 /nfs/dbraw/zinc/29/60/70/1122296070.db2.gz ZVQBPOLVNZTEIP-JKSUJKDBSA-N 0 1 351.450 4.023 20 30 FIEDMN CCCN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000107700655 1122315125 /nfs/dbraw/zinc/31/51/25/1122315125.db2.gz PUTKQNINHKEAIG-INIZCTEOSA-N 0 1 369.896 4.301 20 30 FIEDMN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(O)cccc1F ZINC000129374573 1122580549 /nfs/dbraw/zinc/58/05/49/1122580549.db2.gz CSNRPNGRBYIOBP-UHFFFAOYSA-N 0 1 363.348 4.151 20 30 FIEDMN C=CCOc1c(Br)cc(CNCc2ccoc2)cc1OCC ZINC000069833016 1122690058 /nfs/dbraw/zinc/69/00/58/1122690058.db2.gz PWNLPILAITUMIF-UHFFFAOYSA-N 0 1 366.255 4.295 20 30 FIEDMN CCOc1ccccc1[C@H](CC(C)C)NCc1cnc2ccc(C#N)cn12 ZINC000556604041 1122995917 /nfs/dbraw/zinc/99/59/17/1122995917.db2.gz UJCIAMHATFFQEX-FQEVSTJZSA-N 0 1 362.477 4.482 20 30 FIEDMN N#CC(C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccccn1 ZINC000131971662 1123206051 /nfs/dbraw/zinc/20/60/51/1123206051.db2.gz YZOJPSCBAMHJGK-LBPRGKRZSA-N 0 1 366.833 4.166 20 30 FIEDMN N#C[C@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccccn1 ZINC000131971662 1123206053 /nfs/dbraw/zinc/20/60/53/1123206053.db2.gz YZOJPSCBAMHJGK-LBPRGKRZSA-N 0 1 366.833 4.166 20 30 FIEDMN N#Cc1ccc(CN2CCC(N=Nc3cccc4ncccc34)CC2)cc1 ZINC000920374297 1123449368 /nfs/dbraw/zinc/44/93/68/1123449368.db2.gz XLNILIHEESVBTG-UHFFFAOYSA-N 0 1 355.445 4.170 20 30 FIEDMN CC(N=Nc1cccc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000920482625 1123461835 /nfs/dbraw/zinc/46/18/35/1123461835.db2.gz OAXQUZALRNNILZ-UHFFFAOYSA-N 0 1 353.300 4.372 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCC[C@@H]2C)cc1Cl ZINC000920792382 1123519932 /nfs/dbraw/zinc/51/99/32/1123519932.db2.gz PQTINXOYCWPJML-GZBFAFLISA-N 0 1 362.857 4.212 20 30 FIEDMN C[C@@H]1CCCC[C@@H]1CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000920791783 1123520138 /nfs/dbraw/zinc/52/01/38/1123520138.db2.gz GUZWXBBVVPIZFP-YRGRVCCFSA-N 0 1 350.821 4.343 20 30 FIEDMN CCCCC1CCC(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)CC1 ZINC000921250002 1123602573 /nfs/dbraw/zinc/60/25/73/1123602573.db2.gz WDIGPODEYGVROF-GPANFISMSA-N 0 1 362.495 4.168 20 30 FIEDMN CCCCC1CCC(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)CC1 ZINC000921250002 1123602576 /nfs/dbraw/zinc/60/25/76/1123602576.db2.gz WDIGPODEYGVROF-GPANFISMSA-N 0 1 362.495 4.168 20 30 FIEDMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCc1cccc(C#N)c1 ZINC000077417378 1123676062 /nfs/dbraw/zinc/67/60/62/1123676062.db2.gz LMCSBIKOYMMAQD-UHFFFAOYSA-N 0 1 364.880 4.363 20 30 FIEDMN COc1ccccc1-c1n[nH]c(NC(=O)CCSc2ccccc2F)n1 ZINC000064490175 1123793455 /nfs/dbraw/zinc/79/34/55/1123793455.db2.gz QSGJBCPJSWRPHG-UHFFFAOYSA-N 0 1 372.425 4.390 20 30 FIEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2OC[C@@H]2CCCO2)n1 ZINC000080449686 1123965887 /nfs/dbraw/zinc/96/58/87/1123965887.db2.gz BYCVIGRDPMZKGX-HOCLYGCPSA-N 0 1 370.474 4.314 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccccc2OC[C@@H]2CCCO2)n1 ZINC000080449686 1123965888 /nfs/dbraw/zinc/96/58/88/1123965888.db2.gz BYCVIGRDPMZKGX-HOCLYGCPSA-N 0 1 370.474 4.314 20 30 FIEDMN Cc1ccc(C)c(OCCCCC(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000067893514 1123984331 /nfs/dbraw/zinc/98/43/31/1123984331.db2.gz LSHNXGOVLYZJEQ-IBGZPJMESA-N 0 1 370.493 4.010 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1O ZINC000615448886 1124013166 /nfs/dbraw/zinc/01/31/66/1124013166.db2.gz XDKISKAGWDFBID-UHFFFAOYSA-N 0 1 352.337 4.171 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)c1 ZINC000179731881 1124038544 /nfs/dbraw/zinc/03/85/44/1124038544.db2.gz ILWMLCQJJBELJK-UHFFFAOYSA-N 0 1 366.380 4.126 20 30 FIEDMN C[C@H](OCC1CC1)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000068336588 1124180266 /nfs/dbraw/zinc/18/02/66/1124180266.db2.gz ZQSIDRLTVARXEH-XHDPSFHLSA-N 0 1 360.866 4.455 20 30 FIEDMN CN(C)[C@@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)c1ccco1 ZINC000301190979 1124203190 /nfs/dbraw/zinc/20/31/90/1124203190.db2.gz YYBSFKCQHVOHNF-INIZCTEOSA-N 0 1 372.375 4.016 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4ccc([N+](=O)[O-])cc4C#N)C3)[nH]c2c1 ZINC000302059731 1124280845 /nfs/dbraw/zinc/28/08/45/1124280845.db2.gz SJNXANJFOOAIKS-AWEZNQCLSA-N 0 1 361.405 4.035 20 30 FIEDMN C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000057406367 1124324138 /nfs/dbraw/zinc/32/41/38/1124324138.db2.gz FSOJWVLMNONBIJ-KRWDZBQOSA-N 0 1 355.441 4.264 20 30 FIEDMN N#Cc1cc(F)c(NC[C@H]2CCN2Cc2ccccc2)cc1Br ZINC000715662031 1124461075 /nfs/dbraw/zinc/46/10/75/1124461075.db2.gz PUJHNADNYKKPBR-OAHLLOKOSA-N 0 1 374.257 4.146 20 30 FIEDMN CC(C)[C@@H](NC(=O)CN(Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000109405113 1124564259 /nfs/dbraw/zinc/56/42/59/1124564259.db2.gz HYLWQMDOGAQWFP-HSZRJFAPSA-N 0 1 363.505 4.282 20 30 FIEDMN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075749915 1124919702 /nfs/dbraw/zinc/91/97/02/1124919702.db2.gz XRPZQDOUUBTKEW-AWEZNQCLSA-N 0 1 366.852 4.325 20 30 FIEDMN C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@@H]1c1ccccc1 ZINC000075768395 1124923257 /nfs/dbraw/zinc/92/32/57/1124923257.db2.gz RFXJGZRTSAKLJZ-UZLBHIALSA-N 0 1 358.445 4.234 20 30 FIEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000063878727 1124960298 /nfs/dbraw/zinc/96/02/98/1124960298.db2.gz ZZBCLCRROKQUIN-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN Cc1nc2c(s1)[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)CCC2 ZINC000090180611 1124987590 /nfs/dbraw/zinc/98/75/90/1124987590.db2.gz WSJLDADBWSDYTF-HNNXBMFYSA-N 0 1 350.409 4.489 20 30 FIEDMN C[C@H](c1ccc2ccccc2c1)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000251516239 1125001889 /nfs/dbraw/zinc/00/18/89/1125001889.db2.gz JSVPNYHYPLAVMJ-WAIKUNEKSA-N 0 1 361.489 4.174 20 30 FIEDMN C=C(Cl)COc1ccc([C@H](C)NCc2cn(C)nc2C(F)(F)F)cc1 ZINC000181579230 1125032843 /nfs/dbraw/zinc/03/28/43/1125032843.db2.gz HQLRGMNBFBBHMF-LBPRGKRZSA-N 0 1 373.806 4.421 20 30 FIEDMN COc1ccc(CNCc2cc3ccccc3o2)cc1OCCCC#N ZINC000064614272 1125034678 /nfs/dbraw/zinc/03/46/78/1125034678.db2.gz YRABGBOBIVXRTQ-UHFFFAOYSA-N 0 1 350.418 4.414 20 30 FIEDMN COc1ccccc1[C@H](CC(C)C)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000181706833 1125111233 /nfs/dbraw/zinc/11/12/33/1125111233.db2.gz QMSRWMWDFAUBEL-SFHVURJKSA-N 0 1 369.465 4.092 20 30 FIEDMN COc1ccc(CN(C)CCC(C#N)(c2ccccc2)c2ccccc2)cn1 ZINC000618288407 1125133256 /nfs/dbraw/zinc/13/32/56/1125133256.db2.gz CFXBHGWNMQPRNG-UHFFFAOYSA-N 0 1 371.484 4.422 20 30 FIEDMN COc1ccc(Br)c(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742680 1125258613 /nfs/dbraw/zinc/25/86/13/1125258613.db2.gz OZALASHUDWVBCR-GOSISDBHSA-N 0 1 357.251 4.106 20 30 FIEDMN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000618762855 1125273150 /nfs/dbraw/zinc/27/31/50/1125273150.db2.gz PWFDLZITRYXTJR-CQSZACIVSA-N 0 1 367.359 4.181 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2C(=O)c2cccs2)n1 ZINC000048787316 205165612 /nfs/dbraw/zinc/16/56/12/205165612.db2.gz KBEZBPNHZFIXKI-AWEZNQCLSA-N 0 1 352.440 4.234 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2ccccc2C(=O)c2cccs2)n1 ZINC000048787316 205165617 /nfs/dbraw/zinc/16/56/17/205165617.db2.gz KBEZBPNHZFIXKI-AWEZNQCLSA-N 0 1 352.440 4.234 20 30 FIEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1nc(-c2ccccc2F)cs1 ZINC000602640893 568002998 /nfs/dbraw/zinc/00/29/98/568002998.db2.gz SIMWCHDAQVHCTF-AWEZNQCLSA-N 0 1 359.470 4.138 20 30 FIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000604176267 568218922 /nfs/dbraw/zinc/21/89/22/568218922.db2.gz JRASSTPCHBZCES-UHFFFAOYSA-N 0 1 360.417 4.320 20 30 FIEDMN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(Br)cn1 ZINC000568824500 568233741 /nfs/dbraw/zinc/23/37/41/568233741.db2.gz WUYHQRDNWNUIEU-KPZWWZAWSA-N 0 1 356.267 4.444 20 30 FIEDMN N#Cc1ccc(Cl)cc1NC(=O)CNC1(c2ccc(Cl)cc2)CCC1 ZINC000303240309 568262002 /nfs/dbraw/zinc/26/20/02/568262002.db2.gz JETGINWZHYIFOP-UHFFFAOYSA-N 0 1 374.271 4.473 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N2C[C@H](c3ccccc3C)C[C@@H]2C)c(C#N)c1C ZINC000303752014 568281411 /nfs/dbraw/zinc/28/14/11/568281411.db2.gz LZFKQIWRSLVHIH-YXJHDRRASA-N 0 1 365.477 4.282 20 30 FIEDMN COc1ccc(CN[C@H]2CSCc3ccccc32)cc1OCCCC#N ZINC000604512433 568306625 /nfs/dbraw/zinc/30/66/25/568306625.db2.gz NHJZWAVKFQYOLQ-IBGZPJMESA-N 0 1 368.502 4.455 20 30 FIEDMN C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000078268481 1125474155 /nfs/dbraw/zinc/47/41/55/1125474155.db2.gz VEKHSRWRNFJDGJ-UONOGXRCSA-N 0 1 367.415 4.087 20 30 FIEDMN N#CC(C(=O)C=CC1CCOCC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000112223065 1125536377 /nfs/dbraw/zinc/53/63/77/1125536377.db2.gz ABTUOOLKAPKRGG-IHVVCDCBSA-N 0 1 374.412 4.247 20 30 FIEDMN N#C[C@@H](C(=O)C=CC1CCOCC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000112223065 1125536384 /nfs/dbraw/zinc/53/63/84/1125536384.db2.gz ABTUOOLKAPKRGG-IHVVCDCBSA-N 0 1 374.412 4.247 20 30 FIEDMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cccc(OCCCC#N)c1 ZINC000093889159 1125536616 /nfs/dbraw/zinc/53/66/16/1125536616.db2.gz PRGOCSKGVHGVLT-QUGAMOGWSA-N 0 1 370.518 4.300 20 30 FIEDMN N#C[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)c1cccc(Cl)c1Cl ZINC000066394618 1125562958 /nfs/dbraw/zinc/56/29/58/1125562958.db2.gz LXXCSKAMFVJYEF-CYBMUJFWSA-N 0 1 363.179 4.003 20 30 FIEDMN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(-n2cncn2)cc1Cl ZINC000619755336 1125680990 /nfs/dbraw/zinc/68/09/90/1125680990.db2.gz XHMIZLDEQLNAPR-LBPRGKRZSA-N 0 1 372.259 4.297 20 30 FIEDMN COc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1OCCCC#N ZINC000619748250 1125690363 /nfs/dbraw/zinc/69/03/63/1125690363.db2.gz DMWQSNQPVGPAOE-UHFFFAOYSA-N 0 1 369.852 4.193 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1ccsc1 ZINC000619782665 1125695252 /nfs/dbraw/zinc/69/52/52/1125695252.db2.gz JDQLOIHBINFUGR-KGLIPLIRSA-N 0 1 359.520 4.289 20 30 FIEDMN CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccn1C ZINC000572568558 1125753155 /nfs/dbraw/zinc/75/31/55/1125753155.db2.gz ZCYJJRIIRDSNRS-INIZCTEOSA-N 0 1 360.442 4.073 20 30 FIEDMN CCc1c(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccn1C ZINC000572568558 1125753163 /nfs/dbraw/zinc/75/31/63/1125753163.db2.gz ZCYJJRIIRDSNRS-INIZCTEOSA-N 0 1 360.442 4.073 20 30 FIEDMN N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071027484 1125772283 /nfs/dbraw/zinc/77/22/83/1125772283.db2.gz QZVGJIHNKXEIBT-UHFFFAOYSA-N 0 1 365.396 4.058 20 30 FIEDMN O=C(C#Cc1ccccc1)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC001625787319 1079760270 /nfs/dbraw/zinc/76/02/70/1079760270.db2.gz BZTLUIGPONGKFZ-UHFFFAOYSA-N 0 1 355.372 4.359 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1n[nH]c2ccccc12 ZINC000108998589 1079909522 /nfs/dbraw/zinc/90/95/22/1079909522.db2.gz SGONXSKJCGSNRV-CYBMUJFWSA-N 0 1 350.447 4.138 20 30 FIEDMN Cc1nc(SCC(=O)Nc2sccc2C#N)[nH]c1-c1ccccc1 ZINC000187125951 1079909532 /nfs/dbraw/zinc/90/95/32/1079909532.db2.gz RYCVJBOZGPOVPU-UHFFFAOYSA-N 0 1 354.460 4.049 20 30 FIEDMN N#CCSCCCN1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430222264 1080017770 /nfs/dbraw/zinc/01/77/70/1080017770.db2.gz VCJKIXMIAAFIIQ-OAHLLOKOSA-N 0 1 357.292 4.372 20 30 FIEDMN N#CCSCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430222264 1080017760 /nfs/dbraw/zinc/01/77/60/1080017760.db2.gz VCJKIXMIAAFIIQ-OAHLLOKOSA-N 0 1 357.292 4.372 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cnn1CC(C)C ZINC000179424026 1080175258 /nfs/dbraw/zinc/17/52/58/1080175258.db2.gz FGUIHIVPHZIEBL-ZDUSSCGKSA-N 0 1 371.391 4.082 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175377576 1080566683 /nfs/dbraw/zinc/56/66/83/1080566683.db2.gz YNCTWONLBYVDOB-UHFFFAOYSA-N 0 1 360.461 4.114 20 30 FIEDMN COc1cc(C#N)ccc1CN1CCC(Oc2cc(C)ccc2C)CC1 ZINC001167178771 1080797220 /nfs/dbraw/zinc/79/72/20/1080797220.db2.gz KJQNGFFDRMBCME-UHFFFAOYSA-N 0 1 350.462 4.227 20 30 FIEDMN CC(C)N(CC(=O)N(C1CC1)C1CCC(C)CC1)Cc1ccc(C#N)cc1 ZINC001167248555 1080908387 /nfs/dbraw/zinc/90/83/87/1080908387.db2.gz VSHAUIKCMFIALA-UHFFFAOYSA-N 0 1 367.537 4.338 20 30 FIEDMN COc1ccc(C[C@H](NCc2ccc(C#N)o2)c2ccc(OC)cc2)cc1 ZINC000610270749 1080995092 /nfs/dbraw/zinc/99/50/92/1080995092.db2.gz VJGNTOBTYYODEN-QFIPXVFZSA-N 0 1 362.429 4.242 20 30 FIEDMN COc1ccc(C[C@@H](NCc2ccc(C#N)o2)c2ccc(OC)cc2)cc1 ZINC000610270748 1080995421 /nfs/dbraw/zinc/99/54/21/1080995421.db2.gz VJGNTOBTYYODEN-JOCHJYFZSA-N 0 1 362.429 4.242 20 30 FIEDMN CN(C)Cc1ccnc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000176921180 1081158675 /nfs/dbraw/zinc/15/86/75/1081158675.db2.gz YMHVLHXTQSWCKD-UHFFFAOYSA-N 0 1 372.428 4.059 20 30 FIEDMN Cc1sc(NC(=O)CN[C@@H](C)c2ccc3ncsc3c2)c(C#N)c1C ZINC000547947507 1081160246 /nfs/dbraw/zinc/16/02/46/1081160246.db2.gz FNWJMASMTQOJSM-NSHDSACASA-N 0 1 370.503 4.136 20 30 FIEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000610343959 1081498354 /nfs/dbraw/zinc/49/83/54/1081498354.db2.gz WZIYTZSRDHKNBE-QWHCGFSZSA-N 0 1 361.367 4.255 20 30 FIEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000610343960 1081498779 /nfs/dbraw/zinc/49/87/79/1081498779.db2.gz WZIYTZSRDHKNBE-STQMWFEESA-N 0 1 361.367 4.255 20 30 FIEDMN N#Cc1csc(CNCc2cc(Br)ccc2OC(F)F)c1 ZINC000177697060 1081552934 /nfs/dbraw/zinc/55/29/34/1081552934.db2.gz GYECKKLEPYDISD-UHFFFAOYSA-N 0 1 373.222 4.273 20 30 FIEDMN Cc1ccccc1C[C@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001167433390 1082127536 /nfs/dbraw/zinc/12/75/36/1082127536.db2.gz CLWRGKDOMAMYJT-LJQANCHMSA-N 0 1 367.880 4.166 20 30 FIEDMN CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000160737894 1082282228 /nfs/dbraw/zinc/28/22/28/1082282228.db2.gz RZIKUGZMTDTHDM-SFHVURJKSA-N 0 1 365.477 4.137 20 30 FIEDMN N#Cc1ccc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)cc1Cl ZINC000581050648 1082295738 /nfs/dbraw/zinc/29/57/38/1082295738.db2.gz HWSRWYIZEGVSIP-NSHDSACASA-N 0 1 354.763 4.338 20 30 FIEDMN Cc1c(C(=O)/C=C/c2cc(Cl)c(O)cc2Cl)cnn1-c1ccccn1 ZINC000134413710 1082420821 /nfs/dbraw/zinc/42/08/21/1082420821.db2.gz UIBPZPYJWPNRJG-AATRIKPKSA-N 0 1 374.227 4.484 20 30 FIEDMN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000430596990 1082553183 /nfs/dbraw/zinc/55/31/83/1082553183.db2.gz KPPILIFKRUZANP-SNVBAGLBSA-N 0 1 353.369 4.344 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000430596990 1082553190 /nfs/dbraw/zinc/55/31/90/1082553190.db2.gz KPPILIFKRUZANP-SNVBAGLBSA-N 0 1 353.369 4.344 20 30 FIEDMN C[C@@H]1CCN(c2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)ccn2)C1 ZINC000430600357 1082566455 /nfs/dbraw/zinc/56/64/55/1082566455.db2.gz XIMSOYHTLJTQPA-HIFRSBDPSA-N 0 1 368.506 4.172 20 30 FIEDMN C=CCCCCCN(C)CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC001167461724 1082570668 /nfs/dbraw/zinc/57/06/68/1082570668.db2.gz QFLXTGQZQUBJLF-UHFFFAOYSA-N 0 1 354.498 4.106 20 30 FIEDMN O=C1[C@@H](/N=C\c2cc(Cl)cc(Cl)c2O)CCN1c1ccccc1F ZINC000255311807 1082610795 /nfs/dbraw/zinc/61/07/95/1082610795.db2.gz LAKHVDHRFDAWCG-DGKJUAPTSA-N 0 1 367.207 4.063 20 30 FIEDMN COc1ccc(Br)cc1[C@H]1CCCN1CCCSCC#N ZINC000074989892 1082700316 /nfs/dbraw/zinc/70/03/16/1082700316.db2.gz FPNJQIQONLTYKN-OAHLLOKOSA-N 0 1 369.328 4.241 20 30 FIEDMN CCOCCOc1ccccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430623377 1082741578 /nfs/dbraw/zinc/74/15/78/1082741578.db2.gz NEHNBGISYCZBBS-HNNXBMFYSA-N 0 1 372.490 4.346 20 30 FIEDMN CC(=O)Nc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1F ZINC000430644330 1082828592 /nfs/dbraw/zinc/82/85/92/1082828592.db2.gz NDGRJFHFBMKJOL-LBPRGKRZSA-N 0 1 359.426 4.028 20 30 FIEDMN C=CCC[C@H](NCc1ccc(OC)nn1)c1ccc(C(F)(F)F)cc1 ZINC000581738336 1082855285 /nfs/dbraw/zinc/85/52/85/1082855285.db2.gz HMRUCCJADBLUBA-INIZCTEOSA-N 0 1 351.372 4.301 20 30 FIEDMN CCCN(Cc1ccnn1-c1ccccc1OC)Cc1ccc(C#N)cc1 ZINC000430725325 1083139903 /nfs/dbraw/zinc/13/99/03/1083139903.db2.gz QJPDBAUFMBPKFK-UHFFFAOYSA-N 0 1 360.461 4.165 20 30 FIEDMN COc1cc2ccccc2cc1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000581983816 1083334762 /nfs/dbraw/zinc/33/47/62/1083334762.db2.gz DZXRKLYLKQXACM-UHFFFAOYSA-N 0 1 357.457 4.301 20 30 FIEDMN CCN(Cc1cc(OC)ccc1OCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000179464094 1083469993 /nfs/dbraw/zinc/46/99/93/1083469993.db2.gz PIAHEPPBYXUSHJ-MRXNPFEDSA-N 0 1 354.450 4.133 20 30 FIEDMN CC(C)Oc1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000179527244 1083554683 /nfs/dbraw/zinc/55/46/83/1083554683.db2.gz KXKZPNUTPJJIKJ-CQSZACIVSA-N 0 1 371.868 4.288 20 30 FIEDMN Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1ccc(C#N)cc1F ZINC000610812486 1083725810 /nfs/dbraw/zinc/72/58/10/1083725810.db2.gz GDYZFVXFNRLHSM-CYBMUJFWSA-N 0 1 359.832 4.166 20 30 FIEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000277077117 1083736398 /nfs/dbraw/zinc/73/63/98/1083736398.db2.gz RLSXPHCYBYRFEC-OLZOCXBDSA-N 0 1 354.458 4.002 20 30 FIEDMN COc1ccc(-c2nc(C)c([C@H](C)NCc3ccnc(C#N)c3)s2)cc1 ZINC000612518454 1083880981 /nfs/dbraw/zinc/88/09/81/1083880981.db2.gz MQPOGKKMVZUKKY-ZDUSSCGKSA-N 0 1 364.474 4.245 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)c2ccccn2)c1 ZINC000181484339 1083917601 /nfs/dbraw/zinc/91/76/01/1083917601.db2.gz NQDDXNWIOGEMKV-OAQYLSRUSA-N 0 1 355.441 4.204 20 30 FIEDMN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCC(C)(C)C ZINC000121695604 1084031780 /nfs/dbraw/zinc/03/17/80/1084031780.db2.gz YEEVJPYEVJLTJK-GFCCVEGCSA-N 0 1 350.846 4.131 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)o1 ZINC000431328616 1084385719 /nfs/dbraw/zinc/38/57/19/1084385719.db2.gz WWUFXLONSLTEAK-UHFFFAOYSA-N 0 1 364.311 4.225 20 30 FIEDMN CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc3ccccc3c2O)cs1 ZINC000255471521 1084392261 /nfs/dbraw/zinc/39/22/61/1084392261.db2.gz MBAIZPJNXZPTIF-LUAWRHEFSA-N 0 1 366.442 4.271 20 30 FIEDMN N#Cc1cccc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)c1F ZINC000539241928 1084428887 /nfs/dbraw/zinc/42/88/87/1084428887.db2.gz NLFVMRHOLWPRMI-UHFFFAOYSA-N 0 1 352.409 4.028 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C#N ZINC000066391252 1084431004 /nfs/dbraw/zinc/43/10/04/1084431004.db2.gz ABDQMFIILDRZKC-STQMWFEESA-N 0 1 361.367 4.255 20 30 FIEDMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000613252338 1084509665 /nfs/dbraw/zinc/50/96/65/1084509665.db2.gz VZPQNNWZJKRFNJ-IXDOHACOSA-N 0 1 372.488 4.133 20 30 FIEDMN N#CC(C(=O)C[C@@H]1CCC2(CCC2)CO1)c1nc2ccccc2n1C(F)F ZINC000892537545 1084541503 /nfs/dbraw/zinc/54/15/03/1084541503.db2.gz DYVTYJQHPHAECP-UONOGXRCSA-N 0 1 373.403 4.347 20 30 FIEDMN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(Cl)c3)n2)cc1 ZINC000066543521 1084637609 /nfs/dbraw/zinc/63/76/09/1084637609.db2.gz IBLZBMDDAJWJHP-AWEZNQCLSA-N 0 1 369.833 4.357 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccnc(Cl)c3)n2)cc1 ZINC000066543521 1084637616 /nfs/dbraw/zinc/63/76/16/1084637616.db2.gz IBLZBMDDAJWJHP-AWEZNQCLSA-N 0 1 369.833 4.357 20 30 FIEDMN Cc1cccc(OCC(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544895 1084639253 /nfs/dbraw/zinc/63/92/53/1084639253.db2.gz RHVVMYUITVOWQI-GOSISDBHSA-N 0 1 373.437 4.245 20 30 FIEDMN COc1ccc(CNCc2ccc(Cl)cc2OC)cc1OCCCC#N ZINC000107718773 1084641974 /nfs/dbraw/zinc/64/19/74/1084641974.db2.gz FCGGFWVKBUECBM-UHFFFAOYSA-N 0 1 374.868 4.330 20 30 FIEDMN CC(C)CCN1Cc2cccc(NC(=O)c3ccc(F)c(C#N)c3)c2C1 ZINC000551482593 1084655812 /nfs/dbraw/zinc/65/58/12/1084655812.db2.gz MVMFWQYEEPWRKR-UHFFFAOYSA-N 0 1 351.425 4.311 20 30 FIEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC2CCSCC2)cc1 ZINC000134975911 1084694661 /nfs/dbraw/zinc/69/46/61/1084694661.db2.gz ZNQICIQQNRNKBG-SFHVURJKSA-N 0 1 358.507 4.210 20 30 FIEDMN C[C@H](c1cccc(C#N)c1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000187731419 1084842888 /nfs/dbraw/zinc/84/28/88/1084842888.db2.gz PYGUZYJGFWYTBH-MRXNPFEDSA-N 0 1 367.880 4.121 20 30 FIEDMN Cc1c(CNCc2cn(C)nc2-c2ccc(C#N)cc2)oc2ccccc12 ZINC000180218069 1084906277 /nfs/dbraw/zinc/90/62/77/1084906277.db2.gz GXOCCPYKFJNRTA-UHFFFAOYSA-N 0 1 356.429 4.303 20 30 FIEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000511110105 1084942680 /nfs/dbraw/zinc/94/26/80/1084942680.db2.gz UUGIZIJNLXLQJE-UHFFFAOYSA-N 0 1 362.351 4.140 20 30 FIEDMN C[C@H](c1nc2ccccc2s1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000198386863 1085178260 /nfs/dbraw/zinc/17/82/60/1085178260.db2.gz IALOOTBSVBNUOW-CQSZACIVSA-N 0 1 364.474 4.190 20 30 FIEDMN COc1ccc(-c2n[nH]c(S[C@H](C#N)C3CCCCC3)n2)c(OC)c1 ZINC000115187562 1085256043 /nfs/dbraw/zinc/25/60/43/1085256043.db2.gz NTTWXARJDZOQKA-MRXNPFEDSA-N 0 1 358.467 4.053 20 30 FIEDMN CCN(CCC#N)CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000611668280 1085282488 /nfs/dbraw/zinc/28/24/88/1085282488.db2.gz HKMDOJZFINRFIM-UHFFFAOYSA-N 0 1 366.303 4.020 20 30 FIEDMN CO[C@@H](C)C(=O)Nc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 ZINC000255518844 1085361372 /nfs/dbraw/zinc/36/13/72/1085361372.db2.gz KBCCWLKBSHKJEJ-JTQLQIEISA-N 0 1 367.232 4.423 20 30 FIEDMN CC(C)[C@@](C)(NCc1ccc(C#N)cn1)c1ccc(Br)cc1 ZINC000593972390 1085501657 /nfs/dbraw/zinc/50/16/57/1085501657.db2.gz BPEHVVZSUOSWSC-GOSISDBHSA-N 0 1 358.283 4.377 20 30 FIEDMN C=CCOc1ccc(CN[C@H](COC)c2cccc(OC)c2)cc1Cl ZINC000657611767 1085690172 /nfs/dbraw/zinc/69/01/72/1085690172.db2.gz PXGMQWJXDACNFS-LJQANCHMSA-N 0 1 361.869 4.391 20 30 FIEDMN Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1C(=O)N(C)C ZINC000255549836 1085744750 /nfs/dbraw/zinc/74/47/50/1085744750.db2.gz VBUOKHABFKGRPN-UHFFFAOYSA-N 0 1 351.233 4.460 20 30 FIEDMN CCOc1ncccc1CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905256 1085761651 /nfs/dbraw/zinc/76/16/51/1085761651.db2.gz QCFLKKQYGLBUAC-UHFFFAOYSA-N 0 1 373.456 4.221 20 30 FIEDMN COc1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)cc1O ZINC000066905707 1085761916 /nfs/dbraw/zinc/76/19/16/1085761916.db2.gz JUKFCCZCHACTOL-UHFFFAOYSA-N 0 1 374.440 4.141 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2csc(-c3cccc(Cl)c3)n2)nc(C)n1 ZINC000049406075 1086019874 /nfs/dbraw/zinc/01/98/74/1086019874.db2.gz LDEYCYLQCJKITM-CQSZACIVSA-N 0 1 368.849 4.360 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000218872442 1086358149 /nfs/dbraw/zinc/35/81/49/1086358149.db2.gz QEYRARDXEKDVEJ-HOTGVXAUSA-N 0 1 358.482 4.295 20 30 FIEDMN C=C(C)COc1cc(CNCc2cnccc2C(F)(F)F)ccc1OC ZINC000663352333 1086455458 /nfs/dbraw/zinc/45/54/58/1086455458.db2.gz ORJBIFLATDTKKY-UHFFFAOYSA-N 0 1 366.383 4.354 20 30 FIEDMN CCOCCOc1ccccc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 ZINC000080454465 1086738608 /nfs/dbraw/zinc/73/86/08/1086738608.db2.gz TVAIGMJPQDDZQA-OAHLLOKOSA-N 0 1 358.463 4.172 20 30 FIEDMN CCOCCOc1ccccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080454465 1086738610 /nfs/dbraw/zinc/73/86/10/1086738610.db2.gz TVAIGMJPQDDZQA-OAHLLOKOSA-N 0 1 358.463 4.172 20 30 FIEDMN N#Cc1cc(CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)ccc1F ZINC000512152978 1086842039 /nfs/dbraw/zinc/84/20/39/1086842039.db2.gz QAUNUHMKBKCFPW-QGZVFWFLSA-N 0 1 353.224 4.217 20 30 FIEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000512153387 1086844807 /nfs/dbraw/zinc/84/48/07/1086844807.db2.gz SAGSJOYJCKBLHH-UHFFFAOYSA-N 0 1 369.383 4.291 20 30 FIEDMN Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)c(OC[C@@H]2CCOC2)c1 ZINC000583782009 1086960399 /nfs/dbraw/zinc/96/03/99/1086960399.db2.gz NUXUOQQBFRWHHD-GCJKJVERSA-N 0 1 362.473 4.059 20 30 FIEDMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000584103769 1087175128 /nfs/dbraw/zinc/17/51/28/1087175128.db2.gz MTYKQIWMVVOTKG-HNNXBMFYSA-N 0 1 367.880 4.010 20 30 FIEDMN N#CC(=C([O-])c1cccc(C[NH+]2CCCC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000584190239 1087214360 /nfs/dbraw/zinc/21/43/60/1087214360.db2.gz QMZSRFOIOJUFBG-QGZVFWFLSA-N 0 1 373.378 4.186 20 30 FIEDMN N#C[C@@H](C(=O)c1cccc(CN2CCCC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000584190239 1087214363 /nfs/dbraw/zinc/21/43/63/1087214363.db2.gz QMZSRFOIOJUFBG-QGZVFWFLSA-N 0 1 373.378 4.186 20 30 FIEDMN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000611833830 1087297409 /nfs/dbraw/zinc/29/74/09/1087297409.db2.gz XNYCTZHBDPKQCE-IBGZPJMESA-N 0 1 368.481 4.020 20 30 FIEDMN CCCn1nccc1C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000659041817 1087956526 /nfs/dbraw/zinc/95/65/26/1087956526.db2.gz INAIRBZVWWMAAX-OAHLLOKOSA-N 0 1 350.447 4.215 20 30 FIEDMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C=Cc1ccnc(Cl)c1 ZINC000181244705 1088279022 /nfs/dbraw/zinc/27/90/22/1088279022.db2.gz OIINUYMGYXRLCC-LQYUOIDQSA-N 0 1 363.804 4.130 20 30 FIEDMN C=CCOc1cccc(CNCc2cc(Br)cc3c2OCC3)c1 ZINC000462547253 1088281996 /nfs/dbraw/zinc/28/19/96/1088281996.db2.gz FNDJCSSWIKFSGE-UHFFFAOYSA-N 0 1 374.278 4.239 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccccc2C(C)(C)C)n1 ZINC000434427535 1088594931 /nfs/dbraw/zinc/59/49/31/1088594931.db2.gz BZUSQFWXBTULBF-CYBMUJFWSA-N 0 1 356.447 4.107 20 30 FIEDMN C=CCOc1ccc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cc1 ZINC000425083741 1088654100 /nfs/dbraw/zinc/65/41/00/1088654100.db2.gz QAVXHOAQOPGUPV-UHFFFAOYSA-N 0 1 371.506 4.117 20 30 FIEDMN N#Cc1cc(Cl)ccc1CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290225502 1088712377 /nfs/dbraw/zinc/71/23/77/1088712377.db2.gz XASAPFWVHYSENT-HXUWFJFHSA-N 0 1 352.865 4.395 20 30 FIEDMN N#Cc1ccsc1N1CC[C@H](Sc2nc3ccc(Cl)cc3[nH]2)C1=O ZINC000434796998 1089048031 /nfs/dbraw/zinc/04/80/31/1089048031.db2.gz WRKZMWWIUXFSOA-ZDUSSCGKSA-N 0 1 374.878 4.047 20 30 FIEDMN N#C[C@H](C(=O)c1cc(C2CCCCC2)[nH]n1)c1ccc(C(F)(F)F)cn1 ZINC000136158774 1089086872 /nfs/dbraw/zinc/08/68/72/1089086872.db2.gz JKGMNCOLJOUSBE-ZDUSSCGKSA-N 0 1 362.355 4.361 20 30 FIEDMN N#CC(C(=O)c1cc(C2CCCCC2)[nH]n1)c1ccc(C(F)(F)F)cn1 ZINC000136158774 1089086894 /nfs/dbraw/zinc/08/68/94/1089086894.db2.gz JKGMNCOLJOUSBE-ZDUSSCGKSA-N 0 1 362.355 4.361 20 30 FIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1nccn1CC(F)(F)F ZINC000728699152 1089299174 /nfs/dbraw/zinc/29/91/74/1089299174.db2.gz QEDIGEDAUBXIKJ-BQYQJAHWSA-N 0 1 360.339 4.040 20 30 FIEDMN COc1ccc(CN[C@@H]2c3ccc(F)cc3O[C@H]2C)cc1OCCCC#N ZINC000377397654 1089312407 /nfs/dbraw/zinc/31/24/07/1089312407.db2.gz KKYFRZWBMZCIBG-QKKBWIMNSA-N 0 1 370.424 4.129 20 30 FIEDMN CSc1ccccc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435164645 1089375154 /nfs/dbraw/zinc/37/51/54/1089375154.db2.gz KEMYFQBFNSRVNK-UHFFFAOYSA-N 0 1 372.393 4.100 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCC[C@H](C)C2)cc1Cl ZINC000122422519 1089392075 /nfs/dbraw/zinc/39/20/75/1089392075.db2.gz MHQLPRNRRFQLLD-KCQAQPDRSA-N 0 1 362.857 4.212 20 30 FIEDMN CC(=Cc1ccc(-c2nc3ccccc3s2)o1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435335004 1089540026 /nfs/dbraw/zinc/54/00/26/1089540026.db2.gz DSGQQNKLMVZNEE-LUAWRHEFSA-N 0 1 374.425 4.380 20 30 FIEDMN CC(=Cc1cc(Cl)cc(C(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435336079 1089542264 /nfs/dbraw/zinc/54/22/64/1089542264.db2.gz MJOVUNMTECUZHT-BAQGIRSFSA-N 0 1 353.731 4.183 20 30 FIEDMN CC(=Cc1cc(C(F)(F)F)ccc1Cl)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340161 1089546309 /nfs/dbraw/zinc/54/63/09/1089546309.db2.gz DCXHIISKQSWEPP-YVMONPNESA-N 0 1 353.731 4.183 20 30 FIEDMN CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC(CCC#N)CC1 ZINC000514859689 1089547886 /nfs/dbraw/zinc/54/78/86/1089547886.db2.gz FVESVVYTMZBDEN-UHFFFAOYSA-N 0 1 365.477 4.236 20 30 FIEDMN CC[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000435414582 1089618463 /nfs/dbraw/zinc/61/84/63/1089618463.db2.gz DPRXVRYVJRLRPY-AZUAARDMSA-N 0 1 365.477 4.365 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1C#N ZINC000435729182 1089900621 /nfs/dbraw/zinc/90/06/21/1089900621.db2.gz SZWUGEXDGNPTIJ-CQSZACIVSA-N 0 1 371.487 4.062 20 30 FIEDMN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cc4c(s3)CCCCC4)nc21 ZINC000330227396 1090558418 /nfs/dbraw/zinc/55/84/18/1090558418.db2.gz BZNHNDKHDMLENJ-ZDUSSCGKSA-N 0 1 350.447 4.087 20 30 FIEDMN Cc1nc2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2[nH]1 ZINC000584851382 1090946336 /nfs/dbraw/zinc/94/63/36/1090946336.db2.gz WTLLSDWQGOBTRD-AWEZNQCLSA-N 0 1 359.216 4.173 20 30 FIEDMN Cc1ccc(C#N)c(N2CCN(C3c4ccccc4-c4ccccc43)CC2)n1 ZINC000500280065 1091200469 /nfs/dbraw/zinc/20/04/69/1091200469.db2.gz MGAZMTWMBLERKE-UHFFFAOYSA-N 0 1 366.468 4.154 20 30 FIEDMN CCn1nccc1C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000123686342 1091201686 /nfs/dbraw/zinc/20/16/86/1091201686.db2.gz QRXQHTMKZSAZLV-ZDUSSCGKSA-N 0 1 356.838 4.170 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)c1cscc1C#N)c1ccccc1Cl ZINC000432552001 1091921090 /nfs/dbraw/zinc/92/10/90/1091921090.db2.gz BOGHPLDXJCNWBD-QGZVFWFLSA-N 0 1 361.898 4.086 20 30 FIEDMN N#CC(=C([O-])c1cnc2c(F)cccc2c1)c1cc(C(F)(F)F)ccn1 ZINC000429581896 1092339210 /nfs/dbraw/zinc/33/92/10/1092339210.db2.gz XKQNBORVULBOIM-ZDUSSCGKSA-N 0 1 359.282 4.278 20 30 FIEDMN C=C(C)CN(CCC(=O)Nc1ccc(F)cc1)Cc1cnn(C(C)C)c1 ZINC000512521957 1092630659 /nfs/dbraw/zinc/63/06/59/1092630659.db2.gz MMSBPJREMACMON-UHFFFAOYSA-N 0 1 358.461 4.010 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(Br)cn1)c1ccc(OCC#N)cc1 ZINC000279930513 1092652427 /nfs/dbraw/zinc/65/24/27/1092652427.db2.gz AQPBDLQSLOGSAW-CHWSQXEVSA-N 0 1 360.255 4.158 20 30 FIEDMN C=CCOc1ccc(CNCc2cccc(Br)c2OC)cc1 ZINC000512535993 1092672782 /nfs/dbraw/zinc/67/27/82/1092672782.db2.gz FIKWLGKQPBQKNF-UHFFFAOYSA-N 0 1 362.267 4.312 20 30 FIEDMN N#CC(C(=O)c1ccc2c(c1)COC2)c1nc2cc(Cl)ccc2s1 ZINC000064792065 1092730106 /nfs/dbraw/zinc/73/01/06/1092730106.db2.gz AWHOATYTSOJWCI-AWEZNQCLSA-N 0 1 354.818 4.470 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(Br)ccc3C)[nH]c21 ZINC000442730911 1092739637 /nfs/dbraw/zinc/73/96/37/1092739637.db2.gz PTLPBWYVBNEBOE-AWEZNQCLSA-N 0 1 368.234 4.432 20 30 FIEDMN COc1cc(CN(C)Cc2cccc(OC(F)(F)F)c2)ccc1C#N ZINC000442882627 1092838149 /nfs/dbraw/zinc/83/81/49/1092838149.db2.gz RXUKUMCAUYKSTC-UHFFFAOYSA-N 0 1 350.340 4.097 20 30 FIEDMN CC(C)CN(CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000521821352 1092939102 /nfs/dbraw/zinc/93/91/02/1092939102.db2.gz GAZCNGVRLBDSGG-IBGZPJMESA-N 0 1 363.505 4.236 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000178656030 1092960869 /nfs/dbraw/zinc/96/08/69/1092960869.db2.gz RQPTWQASOQZMHU-KSSFIOAISA-N 0 1 369.421 4.135 20 30 FIEDMN CC(C)NC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512613843 1092993626 /nfs/dbraw/zinc/99/36/26/1092993626.db2.gz UEAKSKBRIVONGT-AWEZNQCLSA-N 0 1 354.429 4.078 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000512620068 1092997026 /nfs/dbraw/zinc/99/70/26/1092997026.db2.gz OOUSOYAXGVEPCF-KGLIPLIRSA-N 0 1 351.425 4.458 20 30 FIEDMN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1OC(F)F ZINC000512643105 1093056610 /nfs/dbraw/zinc/05/66/10/1093056610.db2.gz VQTBIQWMWWRJLH-LLVKDONJSA-N 0 1 350.340 4.158 20 30 FIEDMN C[C@@H](NCc1nc2ccc(Br)cc2[nH]1)c1cccc(C#N)c1 ZINC000614178689 1093062471 /nfs/dbraw/zinc/06/24/71/1093062471.db2.gz AOBXFGWEVWGCNZ-LLVKDONJSA-N 0 1 355.239 4.048 20 30 FIEDMN C=CCOc1ccc(CN2CCC(c3ncc(C)s3)CC2)cc1OC ZINC000433035008 1093144419 /nfs/dbraw/zinc/14/44/19/1093144419.db2.gz VPYRWEJBAARNPW-UHFFFAOYSA-N 0 1 358.507 4.405 20 30 FIEDMN C[C@@H](N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cccc(C#N)c1 ZINC000184999528 1093207569 /nfs/dbraw/zinc/20/75/69/1093207569.db2.gz FDRWDPMRSIUPJW-CXAGYDPISA-N 0 1 373.378 4.033 20 30 FIEDMN C=CCCCCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000474093222 1093257103 /nfs/dbraw/zinc/25/71/03/1093257103.db2.gz DOMGVAOBPKZBEI-QGZVFWFLSA-N 0 1 359.518 4.098 20 30 FIEDMN CC(C)(C)Oc1ccccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000522358070 1093397352 /nfs/dbraw/zinc/39/73/52/1093397352.db2.gz QIPGDAHJIPINMM-UHFFFAOYSA-N 0 1 364.854 4.190 20 30 FIEDMN N#Cc1ccc(OC2CCN(CCc3cccc(F)c3F)CC2)c(F)c1 ZINC000512818417 1093402166 /nfs/dbraw/zinc/40/21/66/1093402166.db2.gz TZBDWNMZXKGOJJ-UHFFFAOYSA-N 0 1 360.379 4.061 20 30 FIEDMN N#Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)c(OC(F)F)c1 ZINC000433283871 1093553045 /nfs/dbraw/zinc/55/30/45/1093553045.db2.gz DARQOMVAPRLFGA-LJQANCHMSA-N 0 1 372.415 4.153 20 30 FIEDMN CN(CCC(=O)Nc1ccccc1Oc1ccccc1)CC(C)(C)C#N ZINC000433300425 1093555885 /nfs/dbraw/zinc/55/58/85/1093555885.db2.gz FCDFQLWCOQPUNU-UHFFFAOYSA-N 0 1 351.450 4.289 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(COc3ccc(C)nc3)c2)n1 ZINC000114617287 1093660089 /nfs/dbraw/zinc/66/00/89/1093660089.db2.gz ZSAJMSYOMUDTAX-GOSISDBHSA-N 0 1 363.442 4.224 20 30 FIEDMN CSc1cccc(C)c1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000185339890 1093708349 /nfs/dbraw/zinc/70/83/49/1093708349.db2.gz ATELJOPCUYVVTM-UHFFFAOYSA-N 0 1 352.868 4.043 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000096966980 1093752801 /nfs/dbraw/zinc/75/28/01/1093752801.db2.gz VQWSTJFWADYILR-CVEARBPZSA-N 0 1 355.869 4.326 20 30 FIEDMN C[C@@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccccc1C#N ZINC000025215932 1093764306 /nfs/dbraw/zinc/76/43/06/1093764306.db2.gz HHLBRKKJJNIMCJ-PXAZEXFGSA-N 0 1 371.893 4.365 20 30 FIEDMN C=CCOc1ccc(CN2CCC(c3noc(C(C)C)n3)CC2)cc1OC ZINC000513069114 1093769297 /nfs/dbraw/zinc/76/92/97/1093769297.db2.gz MGZKGJKLTFRJLI-UHFFFAOYSA-N 0 1 371.481 4.146 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C(C)(C)C)C1 ZINC000544190382 1093950610 /nfs/dbraw/zinc/95/06/10/1093950610.db2.gz MLKYLMDTAHONJN-JKSUJKDBSA-N 0 1 359.539 4.245 20 30 FIEDMN CCN(CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000513386861 1094091418 /nfs/dbraw/zinc/09/14/18/1094091418.db2.gz RFMCFQANNUDJOJ-INIZCTEOSA-N 0 1 361.445 4.004 20 30 FIEDMN CSc1ccc(CNCc2cnc(CC(F)(F)F)s2)cc1C#N ZINC000896046748 1094290679 /nfs/dbraw/zinc/29/06/79/1094290679.db2.gz VKRJDBDJPOKXDK-UHFFFAOYSA-N 0 1 357.426 4.131 20 30 FIEDMN COc1cc(C#N)ccc1CNC1(c2ccc(Br)cc2)CCC1 ZINC000501241846 1094564855 /nfs/dbraw/zinc/56/48/55/1094564855.db2.gz PVEGWBMEBYSWMC-UHFFFAOYSA-N 0 1 371.278 4.498 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000102699932 1094656937 /nfs/dbraw/zinc/65/69/37/1094656937.db2.gz GYDANBFKCDTLEH-AWEZNQCLSA-N 0 1 374.481 4.402 20 30 FIEDMN O=C(Nc1ccccc1)C1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000329039797 1094720062 /nfs/dbraw/zinc/72/00/62/1094720062.db2.gz ZYKMITNHVLHXCX-UHFFFAOYSA-N 0 1 366.461 4.348 20 30 FIEDMN O=C(Nc1cc(Cl)ccc1OCC1CCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329111902 1094744318 /nfs/dbraw/zinc/74/43/18/1094744318.db2.gz RCKWTNCTFCRTKD-GFCCVEGCSA-N 0 1 360.845 4.030 20 30 FIEDMN O=C(Nc1cc(Cl)ccc1OCC1CCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329111902 1094744331 /nfs/dbraw/zinc/74/43/31/1094744331.db2.gz RCKWTNCTFCRTKD-GFCCVEGCSA-N 0 1 360.845 4.030 20 30 FIEDMN O=C(CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)NC1CCCCCC1 ZINC000329205522 1094780851 /nfs/dbraw/zinc/78/08/51/1094780851.db2.gz XAAPQZYTZJGPAW-SFHVURJKSA-N 0 1 367.497 4.288 20 30 FIEDMN O=C(CN1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)NC1CCCCCC1 ZINC000329205522 1094780856 /nfs/dbraw/zinc/78/08/56/1094780856.db2.gz XAAPQZYTZJGPAW-SFHVURJKSA-N 0 1 367.497 4.288 20 30 FIEDMN CCc1cc(=O)c2cc(NC(=O)[C@@H]3CCCN3C3CCCC3)ccc2[nH]1 ZINC000329272632 1094810687 /nfs/dbraw/zinc/81/06/87/1094810687.db2.gz AHKPZUNYJQAUJA-IBGZPJMESA-N 0 1 353.466 4.086 20 30 FIEDMN O=C(NC1CCC(c2ccc(F)cc2)CC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000329289391 1094819360 /nfs/dbraw/zinc/81/93/60/1094819360.db2.gz IAMIAAVDPALIRV-LYBXBRPPSA-N 0 1 370.472 4.127 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NC[C@@H]3CCCSC3)[nH]c2c1 ZINC000329297726 1094826195 /nfs/dbraw/zinc/82/61/95/1094826195.db2.gz LABTWJRBRHIFPS-YOEHRIQHSA-N 0 1 358.511 4.065 20 30 FIEDMN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329332988 1094845495 /nfs/dbraw/zinc/84/54/95/1094845495.db2.gz NCVKQRAOVDJKDK-INIZCTEOSA-N 0 1 373.526 4.406 20 30 FIEDMN CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CCC[C@H]1CCC1CCCC1)CC2 ZINC000329336229 1094847607 /nfs/dbraw/zinc/84/76/07/1094847607.db2.gz LQNYUUPMQVGNPD-MSOLQXFVSA-N 0 1 373.545 4.065 20 30 FIEDMN COc1ccccc1C[C@@H](C)N(C)Cc1cc(Br)ccc1C#N ZINC001141905072 1094864101 /nfs/dbraw/zinc/86/41/01/1094864101.db2.gz PKAYPRRZQZAIJM-CQSZACIVSA-N 0 1 373.294 4.392 20 30 FIEDMN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2cnc[nH]2)cc1Cl ZINC000474897562 1094879431 /nfs/dbraw/zinc/87/94/31/1094879431.db2.gz HSWLVXYZBUZNNK-SFHVURJKSA-N 0 1 364.836 4.290 20 30 FIEDMN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCC[C@H]3c3ccccc3)C2)c1 ZINC000329417444 1094892122 /nfs/dbraw/zinc/89/21/22/1094892122.db2.gz DLGMJHUSPOGTEP-HSALFYBXSA-N 0 1 352.482 4.079 20 30 FIEDMN O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)[C@@H]1C[C@]12CCOC2 ZINC000329612363 1095002930 /nfs/dbraw/zinc/00/29/30/1095002930.db2.gz OKTVVBSKYQDQJH-YWZLYKJASA-N 0 1 351.381 4.384 20 30 FIEDMN CC1(C)CN(C2(CNC(=O)c3cccnc3C3CC3)CCCCC2)CCO1 ZINC000329615344 1095004053 /nfs/dbraw/zinc/00/40/53/1095004053.db2.gz DEQCSZUXHSSCQR-UHFFFAOYSA-N 0 1 371.525 4.077 20 30 FIEDMN C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCCC2(CCOCC2)C1 ZINC000329627237 1095018441 /nfs/dbraw/zinc/01/84/41/1095018441.db2.gz UFGMPKAVQXDEMW-AWEZNQCLSA-N 0 1 359.495 4.165 20 30 FIEDMN CC[C@@H]1C[C@@H](C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)CC(=O)N1 ZINC000329633061 1095032227 /nfs/dbraw/zinc/03/22/27/1095032227.db2.gz WYROALUMKOEORR-XHBSWPGZSA-N 0 1 356.426 4.148 20 30 FIEDMN CC[C@@H]1C[C@H](C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)CC(=O)N1 ZINC000329633060 1095033097 /nfs/dbraw/zinc/03/30/97/1095033097.db2.gz WYROALUMKOEORR-OZVIIMIRSA-N 0 1 356.426 4.148 20 30 FIEDMN C[C@H](c1ccc(F)cc1F)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502168680 1095170323 /nfs/dbraw/zinc/17/03/23/1095170323.db2.gz GCUTXOWUYVTQJG-CQSZACIVSA-N 0 1 369.415 4.248 20 30 FIEDMN Cc1cn2c(n1)[C@@H](CNC([O-])=[NH+]C1(Cc3ccccc3)CCCC1)CCC2 ZINC000329720282 1095217691 /nfs/dbraw/zinc/21/76/91/1095217691.db2.gz AJNQAPHLJWBROG-LJQANCHMSA-N 0 1 366.509 4.128 20 30 FIEDMN Cc1cccc(C)c1NC(=O)CN1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 ZINC000329724493 1095221857 /nfs/dbraw/zinc/22/18/57/1095221857.db2.gz BPDPDVIKVUOIND-MRXNPFEDSA-N 0 1 355.486 4.360 20 30 FIEDMN C[C@@H](NC(=O)CN1CCC(c2ncc[nH]2)CC1)c1ccc2c(c1)CCCC2 ZINC000329750002 1095248803 /nfs/dbraw/zinc/24/88/03/1095248803.db2.gz HVQZWZDTOYDVQZ-MRXNPFEDSA-N 0 1 366.509 4.186 20 30 FIEDMN C[C@@H](C(=O)NC1CCCC1)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000329794460 1095267714 /nfs/dbraw/zinc/26/77/14/1095267714.db2.gz VZEVLGKSOUOQAN-ZDUSSCGKSA-N 0 1 359.445 4.434 20 30 FIEDMN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)Nc1nc2ccccc2s1 ZINC000329805000 1095272178 /nfs/dbraw/zinc/27/21/78/1095272178.db2.gz KONUZKFQQDYGNK-USXIJHARSA-N 0 1 373.522 4.290 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000329919549 1095315741 /nfs/dbraw/zinc/31/57/41/1095315741.db2.gz RRWBHTPEAPATEH-GOSISDBHSA-N 0 1 372.419 4.159 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000329952882 1095327246 /nfs/dbraw/zinc/32/72/46/1095327246.db2.gz JANULAQLFKVQOR-KRWDZBQOSA-N 0 1 356.857 4.144 20 30 FIEDMN O=C(NC1CCC(C(=O)NCc2nc3ccc(F)cc3[nH]2)CC1)C1CC1 ZINC000330005659 1095345334 /nfs/dbraw/zinc/34/53/34/1095345334.db2.gz DJMGXGBLRYSFPJ-UHFFFAOYSA-N 0 1 358.417 4.084 20 30 FIEDMN CC1(C)CCCC[C@H]1CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000502323416 1095349143 /nfs/dbraw/zinc/34/91/43/1095349143.db2.gz WCJIIUVTACHQDJ-NRFANRHFSA-N 0 1 367.537 4.199 20 30 FIEDMN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000330010332 1095349617 /nfs/dbraw/zinc/34/96/17/1095349617.db2.gz GWTAGJKQIYRHNJ-RLLQIKCJSA-N 0 1 370.472 4.045 20 30 FIEDMN CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(C23CCCN2CCC3)n1 ZINC000330081240 1095373230 /nfs/dbraw/zinc/37/32/30/1095373230.db2.gz ADXJWIPIKNCXBN-UHFFFAOYSA-N 0 1 374.872 4.048 20 30 FIEDMN CC(C)(C)c1nc2cc(NC(=O)N[C@@H]3CCCc4cn[nH]c43)ccc2o1 ZINC000330103693 1095381436 /nfs/dbraw/zinc/38/14/36/1095381436.db2.gz GNFNFRIJAJUBNH-CYBMUJFWSA-N 0 1 353.426 4.061 20 30 FIEDMN CN(c1ccccc1NC(=O)N[C@H]1CCCc2cn[nH]c21)C1CCCC1 ZINC000330134954 1095390142 /nfs/dbraw/zinc/39/01/42/1095390142.db2.gz SHLVKFXOCKUUTJ-KRWDZBQOSA-N 0 1 353.470 4.001 20 30 FIEDMN O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@H]1CCC[N@@H+]1C1CC1 ZINC000330215388 1095421114 /nfs/dbraw/zinc/42/11/14/1095421114.db2.gz GZAASPNAJQLZIW-GFCCVEGCSA-N 0 1 359.651 4.023 20 30 FIEDMN O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@H]1CCC[N@H+]1C1CC1 ZINC000330215388 1095421120 /nfs/dbraw/zinc/42/11/20/1095421120.db2.gz GZAASPNAJQLZIW-GFCCVEGCSA-N 0 1 359.651 4.023 20 30 FIEDMN COc1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000502549356 1095574508 /nfs/dbraw/zinc/57/45/08/1095574508.db2.gz WVLWGLAUPIEGAK-UHFFFAOYSA-N 0 1 370.399 4.458 20 30 FIEDMN C[C@]1(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)CC1(F)F ZINC000421511886 1095673522 /nfs/dbraw/zinc/67/35/22/1095673522.db2.gz OUPPNJOYEIMNIN-LLVKDONJSA-N 0 1 369.240 4.201 20 30 FIEDMN C=CCN(CC(=O)N(C)c1nc2ccccc2s1)CC1CCCCC1 ZINC000444081005 1095680717 /nfs/dbraw/zinc/68/07/17/1095680717.db2.gz KAYDBTXJWZGTRK-UHFFFAOYSA-N 0 1 357.523 4.327 20 30 FIEDMN N#CC(C(=O)c1cnccc1Oc1ccccc1)c1cnc2ccccc2n1 ZINC000502741200 1095758807 /nfs/dbraw/zinc/75/88/07/1095758807.db2.gz PORSFVGQPQMTIX-MRXNPFEDSA-N 0 1 366.380 4.307 20 30 FIEDMN CCOc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1Cl ZINC000502790886 1095826254 /nfs/dbraw/zinc/82/62/54/1095826254.db2.gz DMMDKQNWFBKWBN-UHFFFAOYSA-N 0 1 371.245 4.065 20 30 FIEDMN CCCOc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c(C)c1 ZINC000502815061 1095866400 /nfs/dbraw/zinc/86/64/00/1095866400.db2.gz NOFGBGBWVVMGTJ-UHFFFAOYSA-N 0 1 364.854 4.110 20 30 FIEDMN Cc1ccccc1[C@]1(F)CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000502910347 1095939760 /nfs/dbraw/zinc/93/97/60/1095939760.db2.gz WFWOBIPBXZELKG-QHCPKHFHSA-N 0 1 374.463 4.338 20 30 FIEDMN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000502966455 1095988425 /nfs/dbraw/zinc/98/84/25/1095988425.db2.gz ULAWOYQWTVNFFU-CYBMUJFWSA-N 0 1 360.417 4.108 20 30 FIEDMN Clc1ccccc1C#CCN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000503150306 1096095366 /nfs/dbraw/zinc/09/53/66/1096095366.db2.gz SWIHKAAPUHICAT-LJQANCHMSA-N 0 1 362.864 4.314 20 30 FIEDMN Clc1ccccc1C#CCN1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503150306 1096095377 /nfs/dbraw/zinc/09/53/77/1096095377.db2.gz SWIHKAAPUHICAT-LJQANCHMSA-N 0 1 362.864 4.314 20 30 FIEDMN Cc1sc(NC(=O)CN[C@]2(c3ccc(Cl)cc3)C[C@H]2C)c(C#N)c1C ZINC000503377274 1096378768 /nfs/dbraw/zinc/37/87/68/1096378768.db2.gz PWOQLJBVMKSGAY-NSPYISDASA-N 0 1 373.909 4.353 20 30 FIEDMN CCCN(CC(=O)Nc1ccccc1SCC#N)Cc1ccc(C)cc1 ZINC000532901698 1098591821 /nfs/dbraw/zinc/59/18/21/1098591821.db2.gz WBXYDPUFVNIEMV-UHFFFAOYSA-N 0 1 367.518 4.461 20 30 FIEDMN FC(F)(F)c1ccc(C#CCNCc2c[nH]nc2-c2ccsc2)cc1 ZINC000436298348 1098912086 /nfs/dbraw/zinc/91/20/86/1098912086.db2.gz YRTZYWSQQOSHGD-UHFFFAOYSA-N 0 1 361.392 4.298 20 30 FIEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000425535151 1098992986 /nfs/dbraw/zinc/99/29/86/1098992986.db2.gz MVQXYZIZEORRCE-SFHVURJKSA-N 0 1 361.489 4.377 20 30 FIEDMN C=CCCCCCN(C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000533425208 1099045726 /nfs/dbraw/zinc/04/57/26/1099045726.db2.gz BFKWGSDGUQFTPZ-UHFFFAOYSA-N 0 1 368.525 4.414 20 30 FIEDMN N#Cc1ccc(CN2CC[C@H](COc3ccccc3)C2)c(OC(F)F)c1 ZINC000505839136 1099073297 /nfs/dbraw/zinc/07/32/97/1099073297.db2.gz KTNIBOFFJMIZQJ-INIZCTEOSA-N 0 1 358.388 4.061 20 30 FIEDMN CC(C)(C)c1nc2ccc(NC(=O)Cc3c(F)cccc3C#N)cc2[nH]1 ZINC000505891994 1099389700 /nfs/dbraw/zinc/38/97/00/1099389700.db2.gz UBXUGTCSQMFYJR-UHFFFAOYSA-N 0 1 350.397 4.052 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(C)(C)COC)CC1 ZINC000425657583 1099459600 /nfs/dbraw/zinc/45/96/00/1099459600.db2.gz BMUUIXWCONNZDH-UHFFFAOYSA-N 0 1 373.541 4.113 20 30 FIEDMN N#Cc1cc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)nc2ccccc12 ZINC000516534252 1099574550 /nfs/dbraw/zinc/57/45/50/1099574550.db2.gz HUVBUQVVDDSBKO-LBPRGKRZSA-N 0 1 371.366 4.232 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cc(C)n(C)c3C)n2)cc1 ZINC000516713598 1099749022 /nfs/dbraw/zinc/74/90/22/1099749022.db2.gz AUVJSVYHQSSSLH-QGZVFWFLSA-N 0 1 365.458 4.264 20 30 FIEDMN C=CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000438782942 1100915214 /nfs/dbraw/zinc/91/52/14/1100915214.db2.gz DBJAEPFVNVFPMI-UHFFFAOYSA-N 0 1 359.882 4.290 20 30 FIEDMN Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2Cl)N2CCCC2)o1 ZINC000426164124 1100925335 /nfs/dbraw/zinc/92/53/35/1100925335.db2.gz XJYYPLXOUZGXHY-KRWDZBQOSA-N 0 1 372.856 4.072 20 30 FIEDMN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000190669847 1101332830 /nfs/dbraw/zinc/33/28/30/1101332830.db2.gz YPUIDOWIFYSDPP-UHFFFAOYSA-N 0 1 371.396 4.077 20 30 FIEDMN N#Cc1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)c(Cl)c1 ZINC000439448414 1101453477 /nfs/dbraw/zinc/45/34/77/1101453477.db2.gz ZHTBLWSSWUWUCL-UHFFFAOYSA-N 0 1 350.853 4.468 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000475747210 1101577027 /nfs/dbraw/zinc/57/70/27/1101577027.db2.gz IFJUIEFXPCVOFE-QBPKDAKJSA-N 0 1 359.539 4.243 20 30 FIEDMN CCNc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001137525749 1101577899 /nfs/dbraw/zinc/57/78/99/1101577899.db2.gz GOVMDWKFZOCDKL-UHFFFAOYSA-N 0 1 365.824 4.286 20 30 FIEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2oc(C3CC3)nc2C)cc1 ZINC000760182463 1101580492 /nfs/dbraw/zinc/58/04/92/1101580492.db2.gz HJFSXRKETOOXPT-QGZVFWFLSA-N 0 1 365.433 4.164 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2oc(C3CC3)nc2C)cc1 ZINC000760185159 1101586983 /nfs/dbraw/zinc/58/69/83/1101586983.db2.gz YIAFOUQPPSGQJF-YVEFUNNKSA-N 0 1 365.433 4.335 20 30 FIEDMN CC[C@@H](Cc1ccccc1)N(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000426442583 1101603565 /nfs/dbraw/zinc/60/35/65/1101603565.db2.gz LJPIGRQMWSNNJM-KRWDZBQOSA-N 0 1 355.507 4.128 20 30 FIEDMN N#Cc1ccc(C2CCN(Cc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000897588739 1101912610 /nfs/dbraw/zinc/91/26/10/1101912610.db2.gz LZYDLTOZBDYYPD-LJQANCHMSA-N 0 1 353.491 4.246 20 30 FIEDMN N#CC(C(=O)C=Cc1cc(C(F)(F)F)ccc1Cl)c1ccncn1 ZINC000760353479 1101935326 /nfs/dbraw/zinc/93/53/26/1101935326.db2.gz PYKICWSWXRCMJI-GEIFVHNQSA-N 0 1 351.715 4.038 20 30 FIEDMN C[C@H](c1ccccc1Cl)N(C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000519192810 1101987573 /nfs/dbraw/zinc/98/75/73/1101987573.db2.gz RPBJISDPLRXFFJ-QAPCUYQASA-N 0 1 370.880 4.177 20 30 FIEDMN C=C(C)C(=O)Nc1ncnc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c21 ZINC001142508211 1102056223 /nfs/dbraw/zinc/05/62/23/1102056223.db2.gz MPVALGABCYDMNY-UHFFFAOYSA-N 0 1 371.400 4.327 20 30 FIEDMN CCc1nc(C(C)C)ccc1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000842016688 1102156553 /nfs/dbraw/zinc/15/65/53/1102156553.db2.gz BQKRBFMTUNVALZ-UHFFFAOYSA-N 0 1 367.493 4.155 20 30 FIEDMN COc1ccccc1[C@H](CNc1ccc(C#N)cc1F)N1CCCCC1 ZINC000506837727 1102253901 /nfs/dbraw/zinc/25/39/01/1102253901.db2.gz LGOJHTCRABSUKW-FQEVSTJZSA-N 0 1 353.441 4.345 20 30 FIEDMN N#Cc1cccc(OC2CCN(Cc3cc(F)cc4cccnc43)CC2)c1 ZINC000104712828 1102366234 /nfs/dbraw/zinc/36/62/34/1102366234.db2.gz KOBGZCUEMUCFBU-UHFFFAOYSA-N 0 1 361.420 4.289 20 30 FIEDMN C=CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1F ZINC000303009587 1102437552 /nfs/dbraw/zinc/43/75/52/1102437552.db2.gz MKWBMQILPLRZQT-UHFFFAOYSA-N 0 1 371.412 4.059 20 30 FIEDMN COc1ccc(CN2CCC[C@H]2c2cccc(C)n2)cc1OCCCC#N ZINC000093453577 1102573022 /nfs/dbraw/zinc/57/30/22/1102573022.db2.gz FHTZREWFSQDXAD-FQEVSTJZSA-N 0 1 365.477 4.418 20 30 FIEDMN N#CCCC[C@H]([NH2+]Cc1ncc(Br)cc1[O-])c1ccccc1 ZINC000894606199 1102618393 /nfs/dbraw/zinc/61/83/93/1102618393.db2.gz HJHILMFBIYKBPZ-HNNXBMFYSA-N 0 1 360.255 4.074 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000551115576 1102920615 /nfs/dbraw/zinc/92/06/15/1102920615.db2.gz PGTWQSYWVCEYHU-HXUWFJFHSA-N 0 1 365.477 4.038 20 30 FIEDMN C=C(Br)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000729681563 1103034500 /nfs/dbraw/zinc/03/45/00/1103034500.db2.gz FTKTVLHRNMSTCY-UHFFFAOYSA-N 0 1 357.251 4.135 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cccc(F)c2C)no1 ZINC001211976022 1103137395 /nfs/dbraw/zinc/13/73/95/1103137395.db2.gz XKBDQGBKLVPVDQ-QAPCUYQASA-N 0 1 361.461 4.262 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccccc2Cl)no1 ZINC001211975946 1103137883 /nfs/dbraw/zinc/13/78/83/1103137883.db2.gz VDFHEOUHLHEBJP-YOEHRIQHSA-N 0 1 363.889 4.468 20 30 FIEDMN N#Cc1cnc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c(Cl)c1 ZINC000532734705 1103143866 /nfs/dbraw/zinc/14/38/66/1103143866.db2.gz OXWSSMBXALBXTQ-UHFFFAOYSA-N 0 1 351.797 4.003 20 30 FIEDMN O=C(Nc1cccc(F)c1)C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000427002378 1103173995 /nfs/dbraw/zinc/17/39/95/1103173995.db2.gz OJFFYEAZYHMZDC-UHFFFAOYSA-N 0 1 370.855 4.181 20 30 FIEDMN N#CCCN(C(=O)CN1CC[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000477167326 1103189899 /nfs/dbraw/zinc/18/98/99/1103189899.db2.gz VXJANONJGWXPBH-GOSISDBHSA-N 0 1 367.880 4.076 20 30 FIEDMN C=C(C)[C@@H](NC(=O)NCc1nc2cccc(C)c2[nH]1)c1ccc(F)c(F)c1 ZINC000477201810 1103227697 /nfs/dbraw/zinc/22/76/97/1103227697.db2.gz CPSKJRUIAQAEDT-GOSISDBHSA-N 0 1 370.403 4.266 20 30 FIEDMN C=CCC[C@@H](C(=O)NCc1ccc(CN(C)C)c(F)c1)c1ccccc1 ZINC000427525314 1103639097 /nfs/dbraw/zinc/63/90/97/1103639097.db2.gz QCMTXZLLYMASFZ-HXUWFJFHSA-N 0 1 354.469 4.254 20 30 FIEDMN C[C@H](CNCc1nc(C#N)cs1)Sc1ccc(Br)cc1 ZINC000519755277 1103847895 /nfs/dbraw/zinc/84/78/95/1103847895.db2.gz NAIIQVRYFXJXOX-SNVBAGLBSA-N 0 1 368.325 4.048 20 30 FIEDMN N#CCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1 ZINC000533937986 1103948099 /nfs/dbraw/zinc/94/80/99/1103948099.db2.gz HNDLGFFJTJFUEK-JOCHJYFZSA-N 0 1 366.424 4.148 20 30 FIEDMN C=CCC[C@@H](C(=O)Nc1nc(-c2ccccc2OC)n[nH]1)c1ccccc1 ZINC000188200871 1104077663 /nfs/dbraw/zinc/07/76/63/1104077663.db2.gz QIYXFKJBFJBIQJ-MRXNPFEDSA-N 0 1 362.433 4.169 20 30 FIEDMN N#Cc1ccccc1Oc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1F ZINC000184463701 1104436937 /nfs/dbraw/zinc/43/69/37/1104436937.db2.gz GTAIMZFQBLFOBZ-UHFFFAOYSA-N 0 1 362.364 4.342 20 30 FIEDMN Cc1cnn([C@H]2CCCN(C([O-])=[NH+][C@@H]3C[C@H]3c3ccc4ccccc4c3)C2)c1 ZINC000328599841 1104532217 /nfs/dbraw/zinc/53/22/17/1104532217.db2.gz CNIDCYCVHQYKED-FDFHNCONSA-N 0 1 374.488 4.452 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@H]3CC(C)(C)c4ccccc43)C2)[nH]n1 ZINC000328702263 1104541399 /nfs/dbraw/zinc/54/13/99/1104541399.db2.gz NSFASMCFUNZPIL-BEFAXECRSA-N 0 1 352.482 4.234 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3CC(C)(C)c4ccccc43)C2)n[nH]1 ZINC000328702263 1104541408 /nfs/dbraw/zinc/54/14/08/1104541408.db2.gz NSFASMCFUNZPIL-BEFAXECRSA-N 0 1 352.482 4.234 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CC[C@H](c4cccc(F)c4)C3)C2)[nH]n1 ZINC000328744978 1104549037 /nfs/dbraw/zinc/54/90/37/1104549037.db2.gz PBRMUUUDOYMFBQ-YQVWRLOYSA-N 0 1 370.472 4.287 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H](c4cccc(F)c4)C3)C2)[nH]n1 ZINC000328744978 1104549043 /nfs/dbraw/zinc/54/90/43/1104549043.db2.gz PBRMUUUDOYMFBQ-YQVWRLOYSA-N 0 1 370.472 4.287 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)NCc3oc4ccccc4c3C)C2)n[nH]1 ZINC000328757699 1104551347 /nfs/dbraw/zinc/55/13/47/1104551347.db2.gz VFXRWYJUOHWEJR-HNNXBMFYSA-N 0 1 352.438 4.066 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)C2)n[nH]1 ZINC000328730406 1104558030 /nfs/dbraw/zinc/55/80/30/1104558030.db2.gz HYBJNCXJFMOGKB-OXJNMPFZSA-N 0 1 366.509 4.452 20 30 FIEDMN [O-]C(N[C@@H]1CCc2ccccc21)=[NH+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000329738487 1104616473 /nfs/dbraw/zinc/61/64/73/1104616473.db2.gz UINJGSKONQNRGE-NHCUHLMSSA-N 0 1 362.473 4.272 20 30 FIEDMN [O-]C(N[C@@H]1c2ccccc2CC12CCOCC2)=[NH+][C@@H]1CCc2ccccc21 ZINC000329738487 1104616477 /nfs/dbraw/zinc/61/64/77/1104616477.db2.gz UINJGSKONQNRGE-NHCUHLMSSA-N 0 1 362.473 4.272 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)C2)n[nH]1 ZINC000330395314 1104628144 /nfs/dbraw/zinc/62/81/44/1104628144.db2.gz MWKQQCPOBRCHRJ-TZMCWYRMSA-N 0 1 360.424 4.179 20 30 FIEDMN Cc1ccc(NC(=O)N2CCN(CCCC(C)(C)C#N)CC2)cc1Cl ZINC000093215363 1104995271 /nfs/dbraw/zinc/99/52/71/1104995271.db2.gz SVEMUHMALFLKEC-UHFFFAOYSA-N 0 1 362.905 4.128 20 30 FIEDMN N#Cc1cc(CN[C@@H](CC2CC2)c2cc(F)cc(Br)c2)ccn1 ZINC000614605460 1105023544 /nfs/dbraw/zinc/02/35/44/1105023544.db2.gz DNXZUROTDQLJNT-SFHVURJKSA-N 0 1 374.257 4.486 20 30 FIEDMN C#CCOc1ccc(CNCc2cccc(OC)c2OC2CCCC2)cc1 ZINC000237221693 1105105192 /nfs/dbraw/zinc/10/51/92/1105105192.db2.gz FDJBBKIGFKPGNE-UHFFFAOYSA-N 0 1 365.473 4.318 20 30 FIEDMN CC(C)(NCC(=O)Nc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000507918632 1105266353 /nfs/dbraw/zinc/26/63/53/1105266353.db2.gz PDUACBODGGIIBN-UHFFFAOYSA-N 0 1 361.367 4.040 20 30 FIEDMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2cc(C#N)ccc2NC)c1 ZINC000507918998 1105267067 /nfs/dbraw/zinc/26/70/67/1105267067.db2.gz PZRFJBCPBIJRHM-UHFFFAOYSA-N 0 1 363.870 4.007 20 30 FIEDMN C=C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000428039803 1105348183 /nfs/dbraw/zinc/34/81/83/1105348183.db2.gz TUDRXDYHLHZDQS-CQSZACIVSA-N 0 1 360.255 4.020 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC[C@@H](c3ccncc3)C2)c1 ZINC000451006266 1106886124 /nfs/dbraw/zinc/88/61/24/1106886124.db2.gz RCRAPDWOELXTBX-MRXNPFEDSA-N 0 1 356.267 4.095 20 30 FIEDMN N#C[C@H](C(=O)c1cccc(Oc2cnccn2)c1)c1nc2ccccc2s1 ZINC000523048201 1107302955 /nfs/dbraw/zinc/30/29/55/1107302955.db2.gz HCOJAOVKCCHFKS-OAHLLOKOSA-N 0 1 372.409 4.369 20 30 FIEDMN N#CC(C(=O)c1cccc(Oc2cnccn2)c1)c1nc2ccccc2s1 ZINC000523048201 1107302970 /nfs/dbraw/zinc/30/29/70/1107302970.db2.gz HCOJAOVKCCHFKS-OAHLLOKOSA-N 0 1 372.409 4.369 20 30 FIEDMN N#Cc1c(F)cccc1CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000428348604 1107399790 /nfs/dbraw/zinc/39/97/90/1107399790.db2.gz MVPLRIZHMWMPAQ-KRWDZBQOSA-N 0 1 367.472 4.243 20 30 FIEDMN C[C@@]1(CCc2ccccc2)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000530963857 1107425811 /nfs/dbraw/zinc/42/58/11/1107425811.db2.gz HGZWCQLLLPOZDR-HSZRJFAPSA-N 0 1 372.472 4.453 20 30 FIEDMN C[C@@H](Cc1ccc(Cl)cc1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000609915488 1107624839 /nfs/dbraw/zinc/62/48/39/1107624839.db2.gz ASEPOPBUJZMRMF-KRWDZBQOSA-N 0 1 369.896 4.150 20 30 FIEDMN C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000523220654 1107993455 /nfs/dbraw/zinc/99/34/55/1107993455.db2.gz XMENDIJPQFFDBE-HXUWFJFHSA-N 0 1 367.493 4.123 20 30 FIEDMN N#Cc1cccc(CNc2nccn2Cc2ccc(Br)cc2)c1 ZINC000508500943 1108002773 /nfs/dbraw/zinc/00/27/73/1108002773.db2.gz VQHNUOHDPMROMC-UHFFFAOYSA-N 0 1 367.250 4.178 20 30 FIEDMN C=CC[C@@H]1N(Cc2nc(-c3ccc(OC)cc3OC)no2)CCCC1(C)C ZINC000444782531 1108156898 /nfs/dbraw/zinc/15/68/98/1108156898.db2.gz JCQIRXKMTLZYIF-SFHVURJKSA-N 0 1 371.481 4.321 20 30 FIEDMN COc1cc(CN[C@H](C)c2ccc(Br)s2)ccc1C#N ZINC000440610867 1108312628 /nfs/dbraw/zinc/31/26/28/1108312628.db2.gz FCGMCQMXYXUCSA-SNVBAGLBSA-N 0 1 351.269 4.242 20 30 FIEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000445244736 1108577632 /nfs/dbraw/zinc/57/76/32/1108577632.db2.gz RPFNEUYAWBVDAR-UHFFFAOYSA-N 0 1 369.469 4.030 20 30 FIEDMN CCCOc1ccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c(OC)c1 ZINC000453674235 1108683623 /nfs/dbraw/zinc/68/36/23/1108683623.db2.gz PVLMGYWOWZAJPR-MRXNPFEDSA-N 0 1 363.417 4.159 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(Br)c3)[nH]c21 ZINC000524031624 1108761773 /nfs/dbraw/zinc/76/17/73/1108761773.db2.gz KRIBBHUWRRDTRH-ZDUSSCGKSA-N 0 1 354.207 4.124 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cc2cccc(F)c2o1 ZINC000475698856 1108817989 /nfs/dbraw/zinc/81/79/89/1108817989.db2.gz OPNJUWMSSMEQDS-OLZOCXBDSA-N 0 1 351.381 4.121 20 30 FIEDMN COc1cc(CNCc2ccc(Oc3cccc(F)c3)nc2)ccc1C#N ZINC000440829232 1108939222 /nfs/dbraw/zinc/93/92/22/1108939222.db2.gz IHFFENNRBIKDOM-UHFFFAOYSA-N 0 1 363.392 4.183 20 30 FIEDMN Cc1cccc(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)c1C#N ZINC000440833110 1108941287 /nfs/dbraw/zinc/94/12/87/1108941287.db2.gz QYKGSHIYODTZLE-UHFFFAOYSA-N 0 1 369.471 4.155 20 30 FIEDMN COc1cc(C#N)ccc1OCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000524619842 1109099920 /nfs/dbraw/zinc/09/99/20/1109099920.db2.gz LAYNNHLBTBSJFZ-DNVCBOLYSA-N 0 1 366.461 4.327 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000524908097 1109199239 /nfs/dbraw/zinc/19/92/39/1109199239.db2.gz MXULSXOIOZZBRR-IERDGZPVSA-N 0 1 368.502 4.124 20 30 FIEDMN C=CCOc1cccc(CNC2(c3cccc(OC)c3F)CCOCC2)c1 ZINC000446819891 1109345360 /nfs/dbraw/zinc/34/53/60/1109345360.db2.gz WCLYGTWCIUTDOF-UHFFFAOYSA-N 0 1 371.452 4.195 20 30 FIEDMN COc1ccc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)cc1OCCCC#N ZINC000447094715 1109441529 /nfs/dbraw/zinc/44/15/29/1109441529.db2.gz VBUYQPNFLUEWNX-UHFFFAOYSA-N 0 1 370.497 4.030 20 30 FIEDMN Cc1ccc2nc(S[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)[nH]c2c1 ZINC000022734598 1109624433 /nfs/dbraw/zinc/62/44/33/1109624433.db2.gz WVUUFVLWZIJZGX-LXDLAPCHSA-N 0 1 370.522 4.283 20 30 FIEDMN N#CC1(NC(=O)CN[C@@H](c2ccccc2)c2ccc3ccccc3c2)CCC1 ZINC000527118213 1109700379 /nfs/dbraw/zinc/70/03/79/1109700379.db2.gz VDYXSZSODFNKBY-QHCPKHFHSA-N 0 1 369.468 4.081 20 30 FIEDMN N#Cc1ccc(C2(NCc3ccccc3Br)CCOCC2)cc1 ZINC000527810509 1109827389 /nfs/dbraw/zinc/82/73/89/1109827389.db2.gz JDYNCZUNTUWBQV-UHFFFAOYSA-N 0 1 371.278 4.116 20 30 FIEDMN C=CCC1(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000449607889 1110121841 /nfs/dbraw/zinc/12/18/41/1110121841.db2.gz ZORRNKXWYCNGEM-SFHVURJKSA-N 0 1 354.454 4.144 20 30 FIEDMN C=CCc1cc(C[N@@H+](CCC)Cc2ccc(C#N)cc2)cc(OC)c1O ZINC000508610943 1110161085 /nfs/dbraw/zinc/16/10/85/1110161085.db2.gz ZOXQOHNTGVYXDD-UHFFFAOYSA-N 0 1 350.462 4.413 20 30 FIEDMN C=CCN(Cc1cc(Br)ccc1F)CC1CCC(=O)CC1 ZINC000450331805 1110282474 /nfs/dbraw/zinc/28/24/74/1110282474.db2.gz WDYYETJPWDAOFJ-UHFFFAOYSA-N 0 1 354.263 4.336 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCC3CCC(C#N)CC3)[nH]c2c1 ZINC000282028466 1110317498 /nfs/dbraw/zinc/31/74/98/1110317498.db2.gz SVUCIKKIMSFEAY-RJYAGPCLSA-N 0 1 365.481 4.048 20 30 FIEDMN C[C@@H](C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cccc(C#N)c1 ZINC000462061545 1111482771 /nfs/dbraw/zinc/48/27/71/1111482771.db2.gz UKIGQDZTUDYVKX-CQSZACIVSA-N 0 1 367.412 4.239 20 30 FIEDMN C=CCC1(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)CCC1 ZINC000478869501 1111906461 /nfs/dbraw/zinc/90/64/61/1111906461.db2.gz MBPKPTNBPQYJDF-IBGZPJMESA-N 0 1 356.510 4.085 20 30 FIEDMN CC(C)(C)c1cccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1O ZINC000479533260 1112059689 /nfs/dbraw/zinc/05/96/89/1112059689.db2.gz ZLFIVGWTPDVZQC-UHFFFAOYSA-N 0 1 364.854 4.016 20 30 FIEDMN COc1cc([C@@H](C)NCc2ccc(C#N)cn2)ccc1OCCC(C)C ZINC000554360152 1112315914 /nfs/dbraw/zinc/31/59/14/1112315914.db2.gz ZQIAFOBCCCLJOW-MRXNPFEDSA-N 0 1 353.466 4.238 20 30 FIEDMN CC[C@@H](NC(=O)CN[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000554842530 1112517842 /nfs/dbraw/zinc/51/78/42/1112517842.db2.gz HBQAIWIIGUXPIB-AUUYWEPGSA-N 0 1 355.869 4.130 20 30 FIEDMN CC[C@H](NC(=O)CN[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000554842534 1112517923 /nfs/dbraw/zinc/51/79/23/1112517923.db2.gz HBQAIWIIGUXPIB-KUHUBIRLSA-N 0 1 355.869 4.130 20 30 FIEDMN N#CC[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000600180101 1112917526 /nfs/dbraw/zinc/91/75/26/1112917526.db2.gz ZCWMBOBQYOHFML-LLVKDONJSA-N 0 1 365.300 4.026 20 30 FIEDMN C=CCOc1ccc(CNCc2c(Cl)cccc2N2CCOCC2)cc1 ZINC000555586863 1112933182 /nfs/dbraw/zinc/93/31/82/1112933182.db2.gz IBDUKUMUNXKWOC-UHFFFAOYSA-N 0 1 372.896 4.031 20 30 FIEDMN CC(C)=CCC[C@H](C)CCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000482175105 1113192887 /nfs/dbraw/zinc/19/28/87/1113192887.db2.gz YURMJPOIBVBLOO-NPPFBWRTSA-N 0 1 351.494 4.104 20 30 FIEDMN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)c(OC2CCCC2)c1 ZINC000482565579 1113298489 /nfs/dbraw/zinc/29/84/89/1113298489.db2.gz OCKMQMQWIYDDSI-INIZCTEOSA-N 0 1 356.447 4.272 20 30 FIEDMN N#C[C@@H](C(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nccc2ccccc21 ZINC000483214433 1113466751 /nfs/dbraw/zinc/46/67/51/1113466751.db2.gz NRUJHHSPTVYUIX-MRXNPFEDSA-N 0 1 374.350 4.189 20 30 FIEDMN N#CC(C(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nccc2ccccc21 ZINC000483214433 1113466752 /nfs/dbraw/zinc/46/67/52/1113466752.db2.gz NRUJHHSPTVYUIX-MRXNPFEDSA-N 0 1 374.350 4.189 20 30 FIEDMN C=CCSc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000486100803 1113501991 /nfs/dbraw/zinc/50/19/91/1113501991.db2.gz MIMHSGCALFGEPJ-UHFFFAOYSA-N 0 1 350.447 4.311 20 30 FIEDMN C[C@@H](C#N)C(=O)Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000488297479 1113903567 /nfs/dbraw/zinc/90/35/67/1113903567.db2.gz LMDJCCHQGMWERS-JTQLQIEISA-N 0 1 369.222 4.091 20 30 FIEDMN CCN(CCc1cccs1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000488298364 1113903605 /nfs/dbraw/zinc/90/36/05/1113903605.db2.gz WTSXDJDHTMATEK-INIZCTEOSA-N 0 1 373.497 4.087 20 30 FIEDMN CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000488517206 1113948198 /nfs/dbraw/zinc/94/81/98/1113948198.db2.gz UERYVXPWEIXGSG-AWEZNQCLSA-N 0 1 371.868 4.069 20 30 FIEDMN COc1ccc([C@H](CCC#N)NCc2cc(OC)nc3ccccc23)cc1 ZINC000570394136 1114074158 /nfs/dbraw/zinc/07/41/58/1114074158.db2.gz OPZXAKUOJHHXGY-FQEVSTJZSA-N 0 1 361.445 4.387 20 30 FIEDMN C=CCC(C)(C)CNC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000490037532 1114206159 /nfs/dbraw/zinc/20/61/59/1114206159.db2.gz HZDGWTRCPZKFEI-UHFFFAOYSA-N 0 1 357.523 4.120 20 30 FIEDMN N#CCCCCCC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000588157393 1114530483 /nfs/dbraw/zinc/53/04/83/1114530483.db2.gz MQIPGXFVUABGMG-LJQANCHMSA-N 0 1 361.917 4.285 20 30 FIEDMN C[C@H](c1cc(F)ccc1F)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000056282818 1114682143 /nfs/dbraw/zinc/68/21/43/1114682143.db2.gz RTIGQLPAKJFOSO-MRXNPFEDSA-N 0 1 355.432 4.105 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4ccc(C#N)c([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000589590992 1114813783 /nfs/dbraw/zinc/81/37/83/1114813783.db2.gz HCCCPYBDMOQFDI-HNNXBMFYSA-N 0 1 361.405 4.035 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NC[C@@H](c2ccco2)N(CC)CC)c1 ZINC000589739158 1114836889 /nfs/dbraw/zinc/83/68/89/1114836889.db2.gz JTHFARLGJYBHMQ-IBGZPJMESA-N 0 1 371.481 4.439 20 30 FIEDMN Cn1cc(-c2nc(CN[C@H](CCCC#N)c3ccccc3)cs2)cn1 ZINC000590123271 1114897188 /nfs/dbraw/zinc/89/71/88/1114897188.db2.gz PEFRSMMQQTXUIK-GOSISDBHSA-N 0 1 351.479 4.068 20 30 FIEDMN N#C[C@@]1(C(=O)Nc2cc(Br)cc(Cl)c2O)CC12CCCC2 ZINC000590687371 1114963899 /nfs/dbraw/zinc/96/38/99/1114963899.db2.gz HKJPENNIAXIMBA-OAHLLOKOSA-N 0 1 369.646 4.221 20 30 FIEDMN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)[C@H]1Sc1ccccc1 ZINC000590956245 1114995992 /nfs/dbraw/zinc/99/59/92/1114995992.db2.gz ATMFOCLDENDBMZ-VAMGGRTRSA-N 0 1 356.466 4.125 20 30 FIEDMN CC(C)N1CC[C@H](NCc2ccncc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000592113449 1115203140 /nfs/dbraw/zinc/20/31/40/1115203140.db2.gz RONAOHGVDGMUIG-PMACEKPBSA-N 0 1 372.875 4.059 20 30 FIEDMN COc1ccc(Br)cc1C1(NCc2ccc(CC#N)cc2)CC1 ZINC000592137532 1115205231 /nfs/dbraw/zinc/20/52/31/1115205231.db2.gz FUPNZGJPTVTIQA-UHFFFAOYSA-N 0 1 371.278 4.303 20 30 FIEDMN Cc1cc(C(C#N)C(=O)CCCn2ccc3cc(Cl)ccc32)nc(C)n1 ZINC000760967031 1115225030 /nfs/dbraw/zinc/22/50/30/1115225030.db2.gz WVLJJPRBTRYMJQ-QGZVFWFLSA-N 0 1 366.852 4.358 20 30 FIEDMN COc1ccc(CN=Nc2ccc3ccccc3n2)c(Br)c1O ZINC000760997875 1115266939 /nfs/dbraw/zinc/26/69/39/1115266939.db2.gz VVBIVWWACRFLCT-UHFFFAOYSA-N 0 1 372.222 4.158 20 30 FIEDMN C=CCOc1ccccc1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000592973823 1115272766 /nfs/dbraw/zinc/27/27/66/1115272766.db2.gz IPGDVIXNQWCCSZ-AWEZNQCLSA-N 0 1 352.390 4.490 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccccc2)nc1)c1nc2cc(F)ccc2s1 ZINC000592973907 1115272802 /nfs/dbraw/zinc/27/28/02/1115272802.db2.gz KTCLKVMVJNWSOX-HNNXBMFYSA-N 0 1 374.400 4.382 20 30 FIEDMN N#CCCCCC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000594001462 1115362020 /nfs/dbraw/zinc/36/20/20/1115362020.db2.gz RFGWMQGDZWUHDC-UHFFFAOYSA-N 0 1 360.286 4.239 20 30 FIEDMN CC(C)N(CC(=O)N(C)C1(C#N)CCCCC1)Cc1cccc(Cl)c1 ZINC000059038156 1115403082 /nfs/dbraw/zinc/40/30/82/1115403082.db2.gz QWIOVSXULWJAEC-UHFFFAOYSA-N 0 1 361.917 4.235 20 30 FIEDMN COc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)c(Cl)c1OC ZINC000594517276 1115458566 /nfs/dbraw/zinc/45/85/66/1115458566.db2.gz AIZJKPGINKLCSW-UHFFFAOYSA-N 0 1 356.853 4.398 20 30 FIEDMN COc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)c(Cl)c1 ZINC000594984706 1115505400 /nfs/dbraw/zinc/50/54/00/1115505400.db2.gz ROHVRVQZWAGWJI-UHFFFAOYSA-N 0 1 356.853 4.016 20 30 FIEDMN C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC1(C#N)CCCCC1 ZINC000595090530 1115517686 /nfs/dbraw/zinc/51/76/86/1115517686.db2.gz HHMFTWVLDNUVSD-INIZCTEOSA-N 0 1 361.917 4.141 20 30 FIEDMN N#Cc1cccc(-c2nnc(CN3CCC[C@@H](C4CCCCC4)C3)o2)c1 ZINC000595881589 1115565676 /nfs/dbraw/zinc/56/56/76/1115565676.db2.gz UIKOMGXYBRBWNU-LJQANCHMSA-N 0 1 350.466 4.401 20 30 FIEDMN CCOc1cc(CN2CCC[C@H](CC#N)C2)ccc1OCC(F)(F)F ZINC000597172500 1115644329 /nfs/dbraw/zinc/64/43/29/1115644329.db2.gz BECDNEORBWYDQL-CQSZACIVSA-N 0 1 356.388 4.152 20 30 FIEDMN N#Cc1cccc(CN2CCC(NC(=O)CC/C=C/c3ccccc3)CC2)c1 ZINC000593354972 1115666723 /nfs/dbraw/zinc/66/67/23/1115666723.db2.gz UVTIJNKSHMVXFE-RUDMXATFSA-N 0 1 373.500 4.132 20 30 FIEDMN N#Cc1cccc(CN2CCC(NC(=O)CC/C=C\c3ccccc3)CC2)c1 ZINC000593354973 1115666888 /nfs/dbraw/zinc/66/68/88/1115666888.db2.gz UVTIJNKSHMVXFE-WTKPLQERSA-N 0 1 373.500 4.132 20 30 FIEDMN COc1cc([C@@H](C)NCc2cccc(C#N)n2)ccc1OC1CCCC1 ZINC000602514602 1115707788 /nfs/dbraw/zinc/70/77/88/1115707788.db2.gz ODYHTUUSIPXSSX-OAHLLOKOSA-N 0 1 351.450 4.134 20 30 FIEDMN CCCC[C@H](C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)C(C)C ZINC000598829576 1115759051 /nfs/dbraw/zinc/75/90/51/1115759051.db2.gz ZJKOWUNOVZRBFV-FQEVSTJZSA-N 0 1 355.526 4.123 20 30 FIEDMN N#Cc1cccc(C2(NCc3csc(C(F)(F)F)c3)CCOCC2)c1 ZINC000598983484 1115775451 /nfs/dbraw/zinc/77/54/51/1115775451.db2.gz MUJQYSADUFAIDF-UHFFFAOYSA-N 0 1 366.408 4.434 20 30 FIEDMN Cn1ccnc1[C@H](Cc1ccccc1)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000593723612 1115803681 /nfs/dbraw/zinc/80/36/81/1115803681.db2.gz ZXOCEYJARDWHOI-YADHBBJMSA-N 0 1 356.473 4.243 20 30 FIEDMN N#Cc1cc2c(nc1NC[C@H](c1cccc(Cl)c1)N1CCCC1)CCC2 ZINC000603850813 1115821062 /nfs/dbraw/zinc/82/10/62/1115821062.db2.gz FFHYEGILDAAIGH-HXUWFJFHSA-N 0 1 366.896 4.344 20 30 FIEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603890250 1115826680 /nfs/dbraw/zinc/82/66/80/1115826680.db2.gz VZVBYDKBULWQEE-VQIMIIECSA-N 0 1 372.472 4.246 20 30 FIEDMN CCS[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)C(C)C ZINC000171366024 1115864150 /nfs/dbraw/zinc/86/41/50/1115864150.db2.gz NNRZSUFIOLHDAS-IAQYHMDHSA-N 0 1 373.305 4.418 20 30 FIEDMN Cc1sc(NC(=O)c2ccc(CN3CCSCC3)cc2)c(C#N)c1C ZINC000604563694 1115869048 /nfs/dbraw/zinc/86/90/48/1115869048.db2.gz FQSNQJKIKQUVIE-UHFFFAOYSA-N 0 1 371.531 4.038 20 30 FIEDMN N#CCOc1ccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000171769215 1115874989 /nfs/dbraw/zinc/87/49/89/1115874989.db2.gz SNDULFVDPBCDRV-UHFFFAOYSA-N 0 1 363.373 4.047 20 30 FIEDMN C[C@@H](NC(=O)CNC1(c2ccc(C#N)cc2)CCC1)c1ccc(Cl)cc1 ZINC000594033297 1115966339 /nfs/dbraw/zinc/96/63/39/1115966339.db2.gz YTCJINIEOVVJPI-OAHLLOKOSA-N 0 1 367.880 4.058 20 30 FIEDMN CC(C)(C)c1ccccc1NC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032617 1115967859 /nfs/dbraw/zinc/96/78/59/1115967859.db2.gz KBRLEYFDFOWLSG-UHFFFAOYSA-N 0 1 361.489 4.463 20 30 FIEDMN C=CCN(Cc1cccs1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063482966 1116073680 /nfs/dbraw/zinc/07/36/80/1116073680.db2.gz DNAYNPOYYOBOII-HNNXBMFYSA-N 0 1 371.424 4.195 20 30 FIEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(F)(F)F)c1O ZINC000594255645 1116124874 /nfs/dbraw/zinc/12/48/74/1116124874.db2.gz JGXTZJWBZVGAAK-UHFFFAOYSA-N 0 1 362.351 4.333 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000534837561 1116243179 /nfs/dbraw/zinc/24/31/79/1116243179.db2.gz NWZCRDUGIRSUSP-ZWKOTPCHSA-N 0 1 369.452 4.043 20 30 FIEDMN Cc1nc(NC(=O)c2ccc(C#N)c(O)c2)sc1Cc1cccc(C)c1 ZINC000442715480 1116284961 /nfs/dbraw/zinc/28/49/61/1116284961.db2.gz ABIJUHIBUCGWHN-UHFFFAOYSA-N 0 1 363.442 4.180 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c(C#N)c1C ZINC000539422992 1116334833 /nfs/dbraw/zinc/33/48/33/1116334833.db2.gz BDJCHKLQNBLVMW-CYXMAGCYSA-N 0 1 371.868 4.347 20 30 FIEDMN Cc1cc(C)c(C#N)c(NCc2ccccc2CN(C)Cc2ccco2)n1 ZINC000462888575 1117829481 /nfs/dbraw/zinc/82/94/81/1117829481.db2.gz GNUHEQUEZJDIPY-UHFFFAOYSA-N 0 1 360.461 4.407 20 30 FIEDMN C[C@H]1CSc2ccc(Br)cc2[C@H]1NCc1ccc(C#N)o1 ZINC000540601647 1118142716 /nfs/dbraw/zinc/14/27/16/1118142716.db2.gz NWQVZWLAXLHDKG-QFYYESIMSA-N 0 1 363.280 4.486 20 30 FIEDMN Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c(OC[C@H]2CCOC2)c1 ZINC000540706987 1118196147 /nfs/dbraw/zinc/19/61/47/1118196147.db2.gz XHSPDHBNXMEPPR-SJORKVTESA-N 0 1 368.452 4.272 20 30 FIEDMN C[C@H](NCC(=O)NC(C1CC1)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541084457 1118376867 /nfs/dbraw/zinc/37/68/67/1118376867.db2.gz KNLOUGXYLSZZGN-INIZCTEOSA-N 0 1 373.500 4.181 20 30 FIEDMN CC(C)Sc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428812006 1118521513 /nfs/dbraw/zinc/52/15/13/1118521513.db2.gz LFCNUCHUIACKKN-SFHVURJKSA-N 0 1 353.491 4.107 20 30 FIEDMN N#CC(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1cc(C(F)(F)F)ccn1 ZINC000464409830 1118546480 /nfs/dbraw/zinc/54/64/80/1118546480.db2.gz HUYQPPPIKUSLKX-CYBMUJFWSA-N 0 1 374.297 4.120 20 30 FIEDMN N#CC(C(=O)c1ccc(C(F)(F)F)cn1)c1cc(C(F)(F)F)ccn1 ZINC000464473716 1118574646 /nfs/dbraw/zinc/57/46/46/1118574646.db2.gz HOYGWOPAKNNKAK-SNVBAGLBSA-N 0 1 359.229 4.004 20 30 FIEDMN N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cn1)c1cc(C(F)(F)F)ccn1 ZINC000464473716 1118574648 /nfs/dbraw/zinc/57/46/48/1118574648.db2.gz HOYGWOPAKNNKAK-SNVBAGLBSA-N 0 1 359.229 4.004 20 30 FIEDMN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000541653171 1118597969 /nfs/dbraw/zinc/59/79/69/1118597969.db2.gz JKERYSZCEQHAGG-RDJZCZTQSA-N 0 1 374.550 4.260 20 30 FIEDMN CCC[C@@]1(C)CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000464844688 1118718473 /nfs/dbraw/zinc/71/84/73/1118718473.db2.gz IYZSOHHOQVPFGV-AVRDEDQJSA-N 0 1 371.525 4.233 20 30 FIEDMN CCSCC[C@H](C)N(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000464857460 1118726231 /nfs/dbraw/zinc/72/62/31/1118726231.db2.gz TXEIIWIBTZSMAB-SFHVURJKSA-N 0 1 361.555 4.014 20 30 FIEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000464940155 1118764963 /nfs/dbraw/zinc/76/49/63/1118764963.db2.gz PHHGZBLCYKQQIX-YJBOKZPZSA-N 0 1 362.458 4.050 20 30 FIEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000464939692 1118765497 /nfs/dbraw/zinc/76/54/97/1118765497.db2.gz XXJJVLAOEDPKTH-NQIIRXRSSA-N 0 1 374.419 4.128 20 30 FIEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000464939694 1118765628 /nfs/dbraw/zinc/76/56/28/1118765628.db2.gz XXJJVLAOEDPKTH-WIYYLYMNSA-N 0 1 374.419 4.128 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)n[nH]2)cc1 ZINC000464944000 1118767585 /nfs/dbraw/zinc/76/75/85/1118767585.db2.gz NMCULXIYHFOUDW-DENIHFKCSA-N 0 1 370.456 4.297 20 30 FIEDMN CC(C)(C#N)c1ccc(NC(=O)c2ccc(Br)cc2O)cc1 ZINC000303022000 1118768964 /nfs/dbraw/zinc/76/89/64/1118768964.db2.gz UPCSBEYREOAMDI-UHFFFAOYSA-N 0 1 359.223 4.208 20 30 FIEDMN CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(CC#N)cc1 ZINC000542211369 1118846163 /nfs/dbraw/zinc/84/61/63/1118846163.db2.gz UPRBNWRSPAMLNL-UHFFFAOYSA-N 0 1 353.441 4.131 20 30 FIEDMN O[C@H](C[C@@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000151658633 1118957120 /nfs/dbraw/zinc/95/71/20/1118957120.db2.gz DORWRLDIZRVWMQ-ZWKOTPCHSA-N 0 1 363.379 4.238 20 30 FIEDMN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(CC#N)cc2)c1Cl ZINC000029967161 1118957486 /nfs/dbraw/zinc/95/74/86/1118957486.db2.gz WNRIZWOMGXNREZ-UHFFFAOYSA-N 0 1 369.273 4.477 20 30 FIEDMN CCN(CCNc1ccc(C#N)c(C(F)(F)F)c1)CCC(F)(F)F ZINC000491548300 1118962197 /nfs/dbraw/zinc/96/21/97/1118962197.db2.gz RYALOOPOWQEAGP-UHFFFAOYSA-N 0 1 353.310 4.263 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)c2cc3cc(Br)ccc3o2)c1 ZINC000176392503 1118994394 /nfs/dbraw/zinc/99/43/94/1118994394.db2.gz RDPKAWYFSUKKOO-UHFFFAOYSA-N 0 1 357.163 4.025 20 30 FIEDMN N#CCSCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000174115628 1119093809 /nfs/dbraw/zinc/09/38/09/1119093809.db2.gz LQSAFSABICIJSP-OAHLLOKOSA-N 0 1 372.321 4.043 20 30 FIEDMN N#CCSCCCN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000174115628 1119093811 /nfs/dbraw/zinc/09/38/11/1119093811.db2.gz LQSAFSABICIJSP-OAHLLOKOSA-N 0 1 372.321 4.043 20 30 FIEDMN C=CCOc1ccc(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)cc1 ZINC000492708581 1119169529 /nfs/dbraw/zinc/16/95/29/1119169529.db2.gz HSTYKSVZIMOFLQ-UHFFFAOYSA-N 0 1 362.433 4.412 20 30 FIEDMN Cc1ccc(CNCc2ccc(C#N)c(C)c2)c(OC[C@@H]2CCCO2)c1 ZINC000444001451 1119183631 /nfs/dbraw/zinc/18/36/31/1119183631.db2.gz KMXXLXVWHSYJPS-NRFANRHFSA-N 0 1 350.462 4.023 20 30 FIEDMN CC[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(F)ccc1F ZINC000492756381 1119185011 /nfs/dbraw/zinc/18/50/11/1119185011.db2.gz IBVKFHFCTXPKNV-VQTJNVASSA-N 0 1 369.415 4.073 20 30 FIEDMN CCn1cc(Br)cc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177773818 1119350343 /nfs/dbraw/zinc/35/03/43/1119350343.db2.gz WSHCRMCYRQNILP-NSHDSACASA-N 0 1 366.284 4.340 20 30 FIEDMN C=C(C)C[C@@H](C)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000185375228 1119659082 /nfs/dbraw/zinc/65/90/82/1119659082.db2.gz UULTUKZQIMCFJH-QGZVFWFLSA-N 0 1 357.498 4.042 20 30 FIEDMN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000185989863 1119699361 /nfs/dbraw/zinc/69/93/61/1119699361.db2.gz UXUYRTMDOURGSJ-OAHLLOKOSA-N 0 1 358.463 4.028 20 30 FIEDMN CCOc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] ZINC000272205272 1119876029 /nfs/dbraw/zinc/87/60/29/1119876029.db2.gz JSIPFLCHSSFZLF-CQSZACIVSA-N 0 1 351.406 4.205 20 30 FIEDMN CC(C)(C)c1[nH]n(CCOc2ccc(Cl)c(F)c2)c(=O)c1CCC#N ZINC000190104865 1119927782 /nfs/dbraw/zinc/92/77/82/1119927782.db2.gz MYKKBISDMDYGDZ-UHFFFAOYSA-N 0 1 365.836 4.214 20 30 FIEDMN CCOc1cc(CN(C)Cc2ccc(C#N)c(F)c2)ccc1OC(F)F ZINC000191933805 1120003030 /nfs/dbraw/zinc/00/30/30/1120003030.db2.gz ATEYXGRWJKNAMU-UHFFFAOYSA-N 0 1 364.367 4.329 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCCc2c(O)cccc21 ZINC000192364632 1120057207 /nfs/dbraw/zinc/05/72/07/1120057207.db2.gz PYTWZFVIPCWFIA-QGZVFWFLSA-N 0 1 368.502 4.276 20 30 FIEDMN CC(C)(C#N)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000193056542 1120331627 /nfs/dbraw/zinc/33/16/27/1120331627.db2.gz XKLNTJKLVRVNBN-SFHVURJKSA-N 0 1 366.465 4.039 20 30 FIEDMN C=CCC[C@H](C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1 ZINC000494907629 1120371456 /nfs/dbraw/zinc/37/14/56/1120371456.db2.gz ZXOFRBOCKKXNMU-SFTDATJTSA-N 0 1 354.469 4.295 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(Cl)c1 ZINC000193207839 1120532118 /nfs/dbraw/zinc/53/21/18/1120532118.db2.gz UYWNVXKZHSWOEK-NEPJUHHUSA-N 0 1 373.909 4.440 20 30 FIEDMN Cn1cc(N=NCc2nc(-c3cc(Cl)ccc3Cl)cs2)cn1 ZINC000761863571 1120557827 /nfs/dbraw/zinc/55/78/27/1120557827.db2.gz AQBUOAIGWZTGNZ-UHFFFAOYSA-N 0 1 352.250 4.296 20 30 FIEDMN Cc1ccc2nc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)ccc2c1 ZINC000495298359 1120642382 /nfs/dbraw/zinc/64/23/82/1120642382.db2.gz ADWUAADTZXLLSY-CQSZACIVSA-N 0 1 355.319 4.447 20 30 FIEDMN Cc1ccc2nc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)ccc2c1 ZINC000495298359 1120642384 /nfs/dbraw/zinc/64/23/84/1120642384.db2.gz ADWUAADTZXLLSY-CQSZACIVSA-N 0 1 355.319 4.447 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)CCCc3cc(F)ccc3F)[nH]c21 ZINC000762063812 1120682288 /nfs/dbraw/zinc/68/22/88/1120682288.db2.gz KXXAGERLHUIMFL-OAHLLOKOSA-N 0 1 353.372 4.349 20 30 FIEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000495374498 1120760104 /nfs/dbraw/zinc/76/01/04/1120760104.db2.gz QKHMPFGPZPLLIQ-GHMZBOCLSA-N 0 1 368.378 4.485 20 30 FIEDMN Cc1cc(OCC(=O)C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)no1 ZINC000915102337 1120811875 /nfs/dbraw/zinc/81/18/75/1120811875.db2.gz XIUBZINQHRHTSW-CYBMUJFWSA-N 0 1 373.821 4.015 20 30 FIEDMN CC(=NNc1nc2ccccc2n1C)c1ccc(F)cc1Br ZINC000763169200 1121215033 /nfs/dbraw/zinc/21/50/33/1121215033.db2.gz NPFDWEGQKQMGPE-UHFFFAOYSA-N 0 1 361.218 4.311 20 30 FIEDMN CC(N=Nc1nc2ccccc2n1C)c1ccc(F)cc1Br ZINC000763169200 1121215039 /nfs/dbraw/zinc/21/50/39/1121215039.db2.gz NPFDWEGQKQMGPE-UHFFFAOYSA-N 0 1 361.218 4.311 20 30 FIEDMN CN1CCN(c2cccc(Cl)c2C=[NH+][N-]c2ccc(Cl)cc2)CC1 ZINC000915933062 1121354263 /nfs/dbraw/zinc/35/42/63/1121354263.db2.gz KLZHRBGKBOCXNS-UHFFFAOYSA-N 0 1 363.292 4.191 20 30 FIEDMN Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNc1nc2ccccc2[nH]1 ZINC000915936974 1121355151 /nfs/dbraw/zinc/35/51/51/1121355151.db2.gz JFMARAPVBPTQRH-UHFFFAOYSA-N 0 1 366.375 4.090 20 30 FIEDMN CCOc1cc(CN=Nc2nc3ccccc3n2C)ccc1OC(F)F ZINC000915971135 1121358168 /nfs/dbraw/zinc/35/81/68/1121358168.db2.gz FVTFSTNXIMIFBS-UHFFFAOYSA-N 0 1 360.364 4.019 20 30 FIEDMN COCCOc1cccc(C/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000915981859 1121361997 /nfs/dbraw/zinc/36/19/97/1121361997.db2.gz XQWUJTUWCXSYQE-RGVLZGJSSA-N 0 1 354.233 4.343 20 30 FIEDMN CCCOc1c(Br)cc(CN=Nc2ccccn2)cc1OC ZINC000916276258 1121461968 /nfs/dbraw/zinc/46/19/68/1121461968.db2.gz TWQVQIPABUVLHP-UHFFFAOYSA-N 0 1 364.243 4.088 20 30 FIEDMN O=C(Nc1cccc(C=NNc2ccccn2)c1)c1ccccc1Cl ZINC000916276074 1121462209 /nfs/dbraw/zinc/46/22/09/1121462209.db2.gz JGTWJMKPBOYXEQ-UHFFFAOYSA-N 0 1 350.809 4.433 20 30 FIEDMN N#CC(C(=O)c1csc(-c2ccoc2)n1)c1ccc(C(F)(F)F)cn1 ZINC000108624311 1121564179 /nfs/dbraw/zinc/56/41/79/1121564179.db2.gz SQINFNDPOXVCSF-NSHDSACASA-N 0 1 363.320 4.307 20 30 FIEDMN N#C[C@H](C(=O)c1csc(-c2ccoc2)n1)c1ccc(C(F)(F)F)cn1 ZINC000108624311 1121564186 /nfs/dbraw/zinc/56/41/86/1121564186.db2.gz SQINFNDPOXVCSF-NSHDSACASA-N 0 1 363.320 4.307 20 30 FIEDMN Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000124072634 1121659420 /nfs/dbraw/zinc/65/94/20/1121659420.db2.gz SHHXOYQSPRRMNW-UHFFFAOYSA-N 0 1 364.854 4.132 20 30 FIEDMN N#CC(C(=O)C=Cc1cnc2ccccc2n1)c1nc2ccccc2s1 ZINC000916846259 1121887164 /nfs/dbraw/zinc/88/71/64/1121887164.db2.gz NTKMBXNVGITOQZ-CMUBDUJZSA-N 0 1 356.410 4.129 20 30 FIEDMN CCCCCNC(=O)C(C#N)C(=O)CSc1cc(Cl)ccc1Cl ZINC000916876563 1121906159 /nfs/dbraw/zinc/90/61/59/1121906159.db2.gz BSQSJIWGDIJIQB-GFCCVEGCSA-N 0 1 373.305 4.101 20 30 FIEDMN CC(C)(C)c1ccc(SCC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916895214 1121924090 /nfs/dbraw/zinc/92/40/90/1121924090.db2.gz GYRUVUITGXFQLC-GOSISDBHSA-N 0 1 372.534 4.234 20 30 FIEDMN CC(C)c1ccc(SCC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916895236 1121924244 /nfs/dbraw/zinc/92/42/44/1121924244.db2.gz HMXJBKQTMWNCQX-GOSISDBHSA-N 0 1 358.507 4.060 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(OCc3ccccc3C#N)c2)n1 ZINC000066504232 1122068323 /nfs/dbraw/zinc/06/83/23/1122068323.db2.gz BWRLPYPTCAVRMO-LJQANCHMSA-N 0 1 373.437 4.392 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cccc(OC)c3)n2)cc1 ZINC000066544031 1122072406 /nfs/dbraw/zinc/07/24/06/1122072406.db2.gz STWMDIXWAJBCTD-QGZVFWFLSA-N 0 1 364.426 4.317 20 30 FIEDMN CC(C)Oc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000056170575 1122297214 /nfs/dbraw/zinc/29/72/14/1122297214.db2.gz LXGBJILNJHYWEV-HOTGVXAUSA-N 0 1 351.450 4.023 20 30 FIEDMN CC(C)Oc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000056170607 1122297512 /nfs/dbraw/zinc/29/75/12/1122297512.db2.gz SMCVROICFUDJEN-JKSUJKDBSA-N 0 1 351.450 4.023 20 30 FIEDMN CC(C)Oc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000056170574 1122297598 /nfs/dbraw/zinc/29/75/98/1122297598.db2.gz LXGBJILNJHYWEV-CVEARBPZSA-N 0 1 351.450 4.023 20 30 FIEDMN CCN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497611204 1122315778 /nfs/dbraw/zinc/31/57/78/1122315778.db2.gz MEDKYKVCTWSMJH-JKSUJKDBSA-N 0 1 369.896 4.472 20 30 FIEDMN CCN(CC(=O)N[C@@H](c1ccccc1)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617759 1122318762 /nfs/dbraw/zinc/31/87/62/1122318762.db2.gz AVLDLUSMYVSBDS-SBUREZEXSA-N 0 1 361.489 4.209 20 30 FIEDMN Oc1ccccc1/C=N/C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000917557525 1122361428 /nfs/dbraw/zinc/36/14/28/1122361428.db2.gz PYTGTSDKLHKVQJ-ZMOGYAJESA-N 0 1 362.395 4.495 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cnc4c(F)ccc(F)c4c3)[nH]c21 ZINC000497867856 1122446894 /nfs/dbraw/zinc/44/68/94/1122446894.db2.gz GYBUWGSHRUCGPF-ZDUSSCGKSA-N 0 1 362.339 4.188 20 30 FIEDMN CCCCCCCCCN(C)C(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000918397650 1122631292 /nfs/dbraw/zinc/63/12/92/1122631292.db2.gz JINADUXDWGLMLI-UHFFFAOYSA-N 0 1 361.511 4.447 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(C#N)cc3C)n2)cc1 ZINC000129592118 1122644316 /nfs/dbraw/zinc/64/43/16/1122644316.db2.gz NJAZYNONFBOQCA-SFHVURJKSA-N 0 1 373.437 4.489 20 30 FIEDMN C[C@@H]1CCc2nc(CNCCSCc3ccccc3C#N)sc2C1 ZINC000498362206 1122745399 /nfs/dbraw/zinc/74/53/99/1122745399.db2.gz FMQUSTLFEQZYGA-CQSZACIVSA-N 0 1 357.548 4.163 20 30 FIEDMN Cc1nc(COc2ccc(CN[C@H](CCC#N)c3ccccc3)cc2)no1 ZINC000130384444 1122839483 /nfs/dbraw/zinc/83/94/83/1122839483.db2.gz SKWFMDJWZFDJEF-HXUWFJFHSA-N 0 1 362.433 4.092 20 30 FIEDMN N#CCC[C@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000130612074 1122886817 /nfs/dbraw/zinc/88/68/17/1122886817.db2.gz UYNFMWOKFATEGC-VXKWHMMOSA-N 0 1 350.462 4.379 20 30 FIEDMN N#Cc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1F ZINC000556443192 1122896770 /nfs/dbraw/zinc/89/67/70/1122896770.db2.gz FXGLHTCGVMSHJK-KRWDZBQOSA-N 0 1 368.799 4.204 20 30 FIEDMN CCOc1ccccc1[C@@H](CC(C)C)NCc1cnc2ccc(C#N)cn12 ZINC000556604042 1122995848 /nfs/dbraw/zinc/99/58/48/1122995848.db2.gz UJCIAMHATFFQEX-HXUWFJFHSA-N 0 1 362.477 4.482 20 30 FIEDMN Cc1ccc([C@H](C)N(C)CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000072578054 1123093561 /nfs/dbraw/zinc/09/35/61/1123093561.db2.gz VIUQTMFOMWZGKP-INIZCTEOSA-N 0 1 353.491 4.242 20 30 FIEDMN COc1cc(C#N)ccc1CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000499302967 1123411683 /nfs/dbraw/zinc/41/16/83/1123411683.db2.gz XAGGKSDCYKKQME-UHFFFAOYSA-N 0 1 356.838 4.298 20 30 FIEDMN N#Cc1ccc(CN2CCC(N=Nc3ncccc3C(F)(F)F)CC2)cc1 ZINC000920372686 1123449176 /nfs/dbraw/zinc/44/91/76/1123449176.db2.gz WVBRSJCEEIIFNC-UHFFFAOYSA-N 0 1 373.382 4.036 20 30 FIEDMN C[C@@H]1CCCC[C@H]1CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000920791779 1123520077 /nfs/dbraw/zinc/52/00/77/1123520077.db2.gz GUZWXBBVVPIZFP-DYEKYZERSA-N 0 1 350.821 4.343 20 30 FIEDMN Oc1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1 ZINC000920945004 1123540477 /nfs/dbraw/zinc/54/04/77/1123540477.db2.gz LXVYHLJBTVCHQI-UHFFFAOYSA-N 0 1 371.028 4.373 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2c3c(sc2-n2cccc2)CCC3)n1 ZINC000136093645 1123837552 /nfs/dbraw/zinc/83/75/52/1123837552.db2.gz XRJZFWKIMBWSOJ-CYBMUJFWSA-N 0 1 353.472 4.283 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2c3c(sc2-n2cccc2)CCC3)n1 ZINC000136093645 1123837557 /nfs/dbraw/zinc/83/75/57/1123837557.db2.gz XRJZFWKIMBWSOJ-CYBMUJFWSA-N 0 1 353.472 4.283 20 30 FIEDMN COc1ccc(CN[C@H]2CSc3ccccc32)cc1OCCCC#N ZINC000609805012 1123840571 /nfs/dbraw/zinc/84/05/71/1123840571.db2.gz KSAAAUGVEXNINU-KRWDZBQOSA-N 0 1 354.475 4.314 20 30 FIEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(Cl)c1OC(C)C ZINC000609819026 1123849561 /nfs/dbraw/zinc/84/95/61/1123849561.db2.gz MAPHVAVKGOOAHF-UHFFFAOYSA-N 0 1 364.854 4.108 20 30 FIEDMN COCCCOc1cccc(C(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080452134 1123966300 /nfs/dbraw/zinc/96/63/00/1123966300.db2.gz LDRWKKXMNXCNQM-MRXNPFEDSA-N 0 1 358.463 4.172 20 30 FIEDMN Cc1cnn(-c2ccc(C(=O)C(C#N)c3nc(C(C)C)cs3)cc2)c1 ZINC000080459751 1123966782 /nfs/dbraw/zinc/96/67/82/1123966782.db2.gz ONADWISXSDOMGR-INIZCTEOSA-N 0 1 350.447 4.251 20 30 FIEDMN CC(C)NC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1 ZINC000080459647 1123966822 /nfs/dbraw/zinc/96/68/22/1123966822.db2.gz MYXCXFFWWZMTET-HNNXBMFYSA-N 0 1 370.478 4.286 20 30 FIEDMN CC(C)NC(=O)Nc1cccc(C(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080459647 1123966826 /nfs/dbraw/zinc/96/68/26/1123966826.db2.gz MYXCXFFWWZMTET-HNNXBMFYSA-N 0 1 370.478 4.286 20 30 FIEDMN C[C@](CO)(NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 ZINC000237637560 1124002588 /nfs/dbraw/zinc/00/25/88/1124002588.db2.gz FROSYROXFNTXJA-XMMPIXPASA-N 0 1 372.468 4.135 20 30 FIEDMN C[C@](CO)(NCc1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000237637650 1124002705 /nfs/dbraw/zinc/00/27/05/1124002705.db2.gz HQNRWIJUAOLUES-XMMPIXPASA-N 0 1 372.468 4.135 20 30 FIEDMN C[C@@](CO)(NCc1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000237655400 1124009841 /nfs/dbraw/zinc/00/98/41/1124009841.db2.gz HQNRWIJUAOLUES-DEOSSOPVSA-N 0 1 372.468 4.135 20 30 FIEDMN N#CCC[C@@H](C#N)CNCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000615702809 1124068333 /nfs/dbraw/zinc/06/83/33/1124068333.db2.gz KUGKVPYHRSXKFA-LBPRGKRZSA-N 0 1 355.791 4.424 20 30 FIEDMN N#CCCCOc1cccc(CNCc2cccnc2OC2CCCC2)c1 ZINC000237823671 1124118465 /nfs/dbraw/zinc/11/84/65/1124118465.db2.gz IORNEWHZENVPBS-UHFFFAOYSA-N 0 1 365.477 4.375 20 30 FIEDMN CCN(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000107818379 1124155038 /nfs/dbraw/zinc/15/50/38/1124155038.db2.gz BKQWCFZDJMETBZ-OALUTQOASA-N 0 1 363.505 4.435 20 30 FIEDMN N#Cc1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000301057323 1124186725 /nfs/dbraw/zinc/18/67/25/1124186725.db2.gz BTLIMMOKGYHTCW-UHFFFAOYSA-N 0 1 370.840 4.196 20 30 FIEDMN CC(C)(C)N1CC[C@@H](Nc2cnc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302335209 1124303334 /nfs/dbraw/zinc/30/33/34/1124303334.db2.gz ATYKZPCJMZSYSE-AEFFLSMTSA-N 0 1 373.863 4.167 20 30 FIEDMN Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cc(Cl)cc(Cl)c1O ZINC000763480986 1124367878 /nfs/dbraw/zinc/36/78/78/1124367878.db2.gz QYARGWRFAMWHRR-UHFFFAOYSA-N 0 1 374.231 4.072 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)c(Br)c1 ZINC000404818250 1124485875 /nfs/dbraw/zinc/48/58/75/1124485875.db2.gz CDTQNOYOMZOLLB-SNVBAGLBSA-N 0 1 351.194 4.450 20 30 FIEDMN CCOc1ccccc1[C@@H](CC(C)C)NCC(=O)Nc1sccc1C#N ZINC000181263373 1124811892 /nfs/dbraw/zinc/81/18/92/1124811892.db2.gz ACUXWBXWDYBGKW-QGZVFWFLSA-N 0 1 371.506 4.334 20 30 FIEDMN N#Cc1ccc(NCCN2CCc3sccc3C2)cc1C(F)(F)F ZINC000111218266 1124876859 /nfs/dbraw/zinc/87/68/59/1124876859.db2.gz FDDHDIVGBACVDG-UHFFFAOYSA-N 0 1 351.397 4.109 20 30 FIEDMN C[C@@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1cccc(C#N)c1 ZINC000181547644 1125015251 /nfs/dbraw/zinc/01/52/51/1125015251.db2.gz PFXMXMOGMOXEGT-MRXNPFEDSA-N 0 1 356.429 4.056 20 30 FIEDMN C[N@@H+](CCOCc1ccccc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000091936962 1125099034 /nfs/dbraw/zinc/09/90/34/1125099034.db2.gz GWNLMXBTAAVSDQ-UHFFFAOYSA-N 0 1 374.488 4.112 20 30 FIEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000785460004 1125119412 /nfs/dbraw/zinc/11/94/12/1125119412.db2.gz GOMMOLQOJBIJCV-LZQZEXGQSA-N 0 1 355.482 4.093 20 30 FIEDMN C[C@@H](c1ccccc1)N(CC(=O)Nc1sccc1C#N)CC1CCC1 ZINC000077372381 1125185020 /nfs/dbraw/zinc/18/50/20/1125185020.db2.gz ODNMGDUWPXRYIP-HNNXBMFYSA-N 0 1 353.491 4.422 20 30 FIEDMN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)c(SC)cc1OC ZINC000618741524 1125259105 /nfs/dbraw/zinc/25/91/05/1125259105.db2.gz FILIBABNDDKVFU-KRWDZBQOSA-N 0 1 354.475 4.074 20 30 FIEDMN Cc1[nH]n(-c2ccc(Br)cc2C(F)(F)F)c(=O)c1CCC#N ZINC000601939805 567881347 /nfs/dbraw/zinc/88/13/47/567881347.db2.gz NHOJFAGWRHNJQF-JTQLQIEISA-N 0 1 374.160 4.110 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](C)c2cccc(C(F)(F)F)c2)c(C#N)c1C ZINC000120364440 567970731 /nfs/dbraw/zinc/97/07/31/567970731.db2.gz BTAZYVBUOZUXIA-LLVKDONJSA-N 0 1 365.355 4.076 20 30 FIEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481517521 568005092 /nfs/dbraw/zinc/00/50/92/568005092.db2.gz PCFQTOPTXHONGT-SJORKVTESA-N 0 1 365.452 4.294 20 30 FIEDMN C[C@H](CC1(C#N)CCOCC1)NCc1c(Cl)cccc1OC(F)F ZINC000602752614 568030262 /nfs/dbraw/zinc/03/02/62/568030262.db2.gz VTSLPPGTECTYJM-GFCCVEGCSA-N 0 1 358.816 4.130 20 30 FIEDMN N#C[C@@H](C(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000603836633 568159480 /nfs/dbraw/zinc/15/94/80/568159480.db2.gz QCISFSXDJSTXII-NSHDSACASA-N 0 1 372.793 4.190 20 30 FIEDMN N#CC(C(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000603836633 568159481 /nfs/dbraw/zinc/15/94/81/568159481.db2.gz QCISFSXDJSTXII-NSHDSACASA-N 0 1 372.793 4.190 20 30 FIEDMN COc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c(OC)c1OC ZINC000481919500 568187292 /nfs/dbraw/zinc/18/72/92/568187292.db2.gz SPQBVONZNXIIPB-LJQANCHMSA-N 0 1 366.461 4.141 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1occc1-c1ccc(F)cc1 ZINC000152008473 568305830 /nfs/dbraw/zinc/30/58/30/568305830.db2.gz SXCQLUMRVBGXHW-MRXNPFEDSA-N 0 1 359.360 4.462 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1occc1-c1ccc(F)cc1 ZINC000152008473 568305831 /nfs/dbraw/zinc/30/58/31/568305831.db2.gz SXCQLUMRVBGXHW-MRXNPFEDSA-N 0 1 359.360 4.462 20 30 FIEDMN COc1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1OCCCC#N ZINC000604512428 568306527 /nfs/dbraw/zinc/30/65/27/568306527.db2.gz MSPFDSRTLIDSGD-CRAIPNDOSA-N 0 1 354.450 4.384 20 30 FIEDMN C=CCOc1cccc(CN[C@@](C)(CO)c2cccc(C(F)(F)F)c2)c1 ZINC000604767696 568362404 /nfs/dbraw/zinc/36/24/04/568362404.db2.gz VVZXLQJBMXQMIC-IBGZPJMESA-N 0 1 365.395 4.268 20 30 FIEDMN O=c1[nH]c2ccccc2cc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000238162518 571217080 /nfs/dbraw/zinc/21/70/80/571217080.db2.gz GYEVONIDBUWKIZ-UHFFFAOYSA-N 0 1 356.347 4.101 20 30 FIEDMN C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000078268485 1125474399 /nfs/dbraw/zinc/47/43/99/1125474399.db2.gz VEKHSRWRNFJDGJ-ZIAGYGMSSA-N 0 1 367.415 4.087 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccncc1OCC(F)(F)F ZINC000619611756 1125628337 /nfs/dbraw/zinc/62/83/37/1125628337.db2.gz LWMUYABDNSDUHE-QGZVFWFLSA-N 0 1 361.367 4.062 20 30 FIEDMN COc1cc(Br)ccc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619749083 1125691650 /nfs/dbraw/zinc/69/16/50/1125691650.db2.gz FLPWYYYLDBXIIR-UHFFFAOYSA-N 0 1 365.658 4.273 20 30 FIEDMN C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccsc1 ZINC000619782554 1125695262 /nfs/dbraw/zinc/69/52/62/1125695262.db2.gz COYGYGVBNLIURI-GFCCVEGCSA-N 0 1 359.520 4.239 20 30 FIEDMN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2O[C@H](C)C#N)cc1 ZINC000183130411 1125755078 /nfs/dbraw/zinc/75/50/78/1125755078.db2.gz SIGPKYUCHMBVOK-HUUCEWRRSA-N 0 1 358.463 4.292 20 30 FIEDMN Cc1[nH]c(-c2ccccc2)[nH+]c1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000605362806 1079767701 /nfs/dbraw/zinc/76/77/01/1079767701.db2.gz VBXDFTHSQGCRFR-OAHLLOKOSA-N 0 1 355.401 4.060 20 30 FIEDMN N#CC(C(=O)C=CSCc1ccco1)c1nc(-c2ccncc2)cs1 ZINC000254966466 1080105203 /nfs/dbraw/zinc/10/52/03/1080105203.db2.gz DMWMCTOGOQLAHU-ZHMISCPASA-N 0 1 367.455 4.421 20 30 FIEDMN CCCCCCCCOCc1cccc(NC(=O)N(C)Cc2nnc[nH]2)c1 ZINC000274806270 1080128290 /nfs/dbraw/zinc/12/82/90/1080128290.db2.gz WVURHPTVGDZHEC-UHFFFAOYSA-N 0 1 373.501 4.346 20 30 FIEDMN Cc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1 ZINC000047371876 1080297043 /nfs/dbraw/zinc/29/70/43/1080297043.db2.gz SGNKHZSBNJXZTI-HNNXBMFYSA-N 0 1 370.334 4.085 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1 ZINC000047371876 1080297053 /nfs/dbraw/zinc/29/70/53/1080297053.db2.gz SGNKHZSBNJXZTI-HNNXBMFYSA-N 0 1 370.334 4.085 20 30 FIEDMN COCCCN1Cc2ccc(N=Cc3cc4ccccc4[nH]c3=O)cc2C1 ZINC000255012981 1080306765 /nfs/dbraw/zinc/30/67/65/1080306765.db2.gz BEHTUPDAUMEWFA-UHFFFAOYSA-N 0 1 361.445 4.043 20 30 FIEDMN C=CCCCCCCCCN1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001209444022 1080706716 /nfs/dbraw/zinc/70/67/16/1080706716.db2.gz KWEIRVJKTBHYLI-HXUWFJFHSA-N 0 1 355.530 4.128 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000043302882 1080718227 /nfs/dbraw/zinc/71/82/27/1080718227.db2.gz HORPNBOTJMCSTG-OLZOCXBDSA-N 0 1 361.367 4.255 20 30 FIEDMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1F ZINC000063497448 1081365071 /nfs/dbraw/zinc/36/50/71/1081365071.db2.gz WYQCYKGCZNEBPQ-UHFFFAOYSA-N 0 1 361.174 4.010 20 30 FIEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000610346631 1081506252 /nfs/dbraw/zinc/50/62/52/1081506252.db2.gz ZMGTVWKQCMPSRX-CHWSQXEVSA-N 0 1 361.367 4.255 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@@H](C)c3cccc(C#N)c3)[nH]c2c1 ZINC000610408324 1081787116 /nfs/dbraw/zinc/78/71/16/1081787116.db2.gz STOXEXDMRWLGMB-MGPUTAFESA-N 0 1 373.460 4.351 20 30 FIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1ccc(Cl)cc1C#N ZINC000780492167 1081791501 /nfs/dbraw/zinc/79/15/01/1081791501.db2.gz OHRUIWFHXKULOZ-UHFFFAOYSA-N 0 1 351.793 4.267 20 30 FIEDMN CN(Cc1ccc(F)cc1C#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160488056 1081921389 /nfs/dbraw/zinc/92/13/89/1081921389.db2.gz USTHZEKVUJBDMP-DFNIBXOVSA-N 0 1 373.472 4.060 20 30 FIEDMN Cc1c(Cl)cnc(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1C#N ZINC000579792774 1082096424 /nfs/dbraw/zinc/09/64/24/1082096424.db2.gz VOJATFPOTKFUQK-SNVBAGLBSA-N 0 1 369.778 4.041 20 30 FIEDMN O=C(/C=C/c1cc(F)c(O)c(F)c1)c1cc(Br)ccc1F ZINC000177908988 1082310972 /nfs/dbraw/zinc/31/09/72/1082310972.db2.gz GOSCCWFPWWMGNA-DAFODLJHSA-N 0 1 357.125 4.468 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccnn2-c2ccccc2)s1 ZINC000430591977 1082535045 /nfs/dbraw/zinc/53/50/45/1082535045.db2.gz GSDVQIQLBYWGNQ-CQSZACIVSA-N 0 1 350.447 4.116 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnn(-c3ccccc3)c2)s1 ZINC000430594900 1082544142 /nfs/dbraw/zinc/54/41/42/1082544142.db2.gz SLBADWAQKDWPFQ-OAHLLOKOSA-N 0 1 350.447 4.116 20 30 FIEDMN COc1cc(C#N)ccc1CNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000121391572 1082592232 /nfs/dbraw/zinc/59/22/32/1082592232.db2.gz HAEKPZWZXIQXTK-UHFFFAOYSA-N 0 1 356.853 4.016 20 30 FIEDMN O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)[C@@H]1CCc2[nH]nnc2C1 ZINC000328800766 1082680100 /nfs/dbraw/zinc/68/01/00/1082680100.db2.gz YRPDFHRNPOCDSL-LLVKDONJSA-N 0 1 360.845 4.173 20 30 FIEDMN O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)[C@@H]1CCc2nn[nH]c2C1 ZINC000328800766 1082680104 /nfs/dbraw/zinc/68/01/04/1082680104.db2.gz YRPDFHRNPOCDSL-LLVKDONJSA-N 0 1 360.845 4.173 20 30 FIEDMN C=CCC[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccco1 ZINC000276433884 1082763655 /nfs/dbraw/zinc/76/36/55/1082763655.db2.gz JICNDVPICDNPRL-ICSRJNTNSA-N 0 1 354.450 4.194 20 30 FIEDMN CCN(C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000178160149 1082917051 /nfs/dbraw/zinc/91/70/51/1082917051.db2.gz CAOMLZJLMFFKII-HNNXBMFYSA-N 0 1 374.444 4.180 20 30 FIEDMN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(Br)cc1F ZINC000581853297 1082931729 /nfs/dbraw/zinc/93/17/29/1082931729.db2.gz WPNLNNGNJHHYBG-JTQLQIEISA-N 0 1 351.194 4.450 20 30 FIEDMN CCOc1ccc2c(c1)[C@@H](NCc1cccc(OCCCC#N)c1)CCO2 ZINC000187545845 1083029654 /nfs/dbraw/zinc/02/96/54/1083029654.db2.gz DJEBFLCCFOKMOT-NRFANRHFSA-N 0 1 366.461 4.381 20 30 FIEDMN C=CCN(Cc1c[nH]nc1-c1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000510668703 1083232283 /nfs/dbraw/zinc/23/22/83/1083232283.db2.gz SGESIGAFBCRINO-UHFFFAOYSA-N 0 1 363.461 4.282 20 30 FIEDMN CC(C)NC(=O)Nc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377507 1083374043 /nfs/dbraw/zinc/37/40/43/1083374043.db2.gz QLDCMBPJVNMXJV-HNNXBMFYSA-N 0 1 368.462 4.040 20 30 FIEDMN CC(C)NC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377507 1083374047 /nfs/dbraw/zinc/37/40/47/1083374047.db2.gz QLDCMBPJVNMXJV-HNNXBMFYSA-N 0 1 368.462 4.040 20 30 FIEDMN CC(C)[C@@H]1c2ccccc2CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000610788052 1083515421 /nfs/dbraw/zinc/51/54/21/1083515421.db2.gz NJWGHASZVNMWJB-OAQYLSRUSA-N 0 1 358.445 4.364 20 30 FIEDMN N#CC1(F)CCN(CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000510953290 1083532004 /nfs/dbraw/zinc/53/20/04/1083532004.db2.gz QLHXHLVBLIQZTJ-UHFFFAOYSA-N 0 1 351.425 4.010 20 30 FIEDMN C[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@H]1c1ccccc1 ZINC000247566103 1083548279 /nfs/dbraw/zinc/54/82/79/1083548279.db2.gz RFXJGZRTSAKLJZ-OXJNMPFZSA-N 0 1 358.445 4.234 20 30 FIEDMN Cc1sc(NC(=O)CN[C@@H](C)c2ccc(OC(C)C)cc2)c(C#N)c1C ZINC000179531067 1083553981 /nfs/dbraw/zinc/55/39/81/1083553981.db2.gz HPQALIJHCOKORY-AWEZNQCLSA-N 0 1 371.506 4.313 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(OC(C)C)c2)c(C#N)c1C ZINC000179680584 1083597809 /nfs/dbraw/zinc/59/78/09/1083597809.db2.gz DWLBCFNDGFEZHC-GJZGRUSLSA-N 0 1 369.465 4.233 20 30 FIEDMN C=CCN(CCc1ccccc1)Cc1cn2cc(Br)ccc2n1 ZINC000062364229 1083752085 /nfs/dbraw/zinc/75/20/85/1083752085.db2.gz RKMZJFIHVSEAJD-UHFFFAOYSA-N 0 1 370.294 4.328 20 30 FIEDMN Cc1ccnc(Oc2cc(NC(=O)c3ccc(C#N)c(O)c3)ccc2C)c1 ZINC000188569629 1083844576 /nfs/dbraw/zinc/84/45/76/1083844576.db2.gz FKIBKRYRICXGRS-UHFFFAOYSA-N 0 1 359.385 4.320 20 30 FIEDMN C[C@H](NCC(=O)N[C@@H](C)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000548936832 1083867669 /nfs/dbraw/zinc/86/76/69/1083867669.db2.gz NXQWBWSCDDMULY-IRXDYDNUSA-N 0 1 357.457 4.239 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000548936075 1083883234 /nfs/dbraw/zinc/88/32/34/1083883234.db2.gz JNOPGXRSCMVRTO-JYJNAYRXSA-N 0 1 361.445 4.221 20 30 FIEDMN C[C@@H](NC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000548936076 1083883638 /nfs/dbraw/zinc/88/36/38/1083883638.db2.gz JNOPGXRSCMVRTO-OAGGEKHMSA-N 0 1 361.445 4.221 20 30 FIEDMN CN(CCOc1ccc(OCc2ccccc2)cc1)Cc1ccnc(C#N)c1 ZINC000610993521 1083940511 /nfs/dbraw/zinc/94/05/11/1083940511.db2.gz WEAKCAGCYWULRK-UHFFFAOYSA-N 0 1 373.456 4.043 20 30 FIEDMN CC(C)(C)c1nc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cs1 ZINC000236727671 1083942033 /nfs/dbraw/zinc/94/20/33/1083942033.db2.gz OPMQZDXZNNSOJP-HNNXBMFYSA-N 0 1 372.513 4.210 20 30 FIEDMN Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000180126887 1084617982 /nfs/dbraw/zinc/61/79/82/1084617982.db2.gz AVVCDRMHYIRCQI-CQSZACIVSA-N 0 1 365.506 4.225 20 30 FIEDMN Cc1nc(C)c([C@@H](C)N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000180126887 1084617993 /nfs/dbraw/zinc/61/79/93/1084617993.db2.gz AVVCDRMHYIRCQI-CQSZACIVSA-N 0 1 365.506 4.225 20 30 FIEDMN CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000173791190 1084690143 /nfs/dbraw/zinc/69/01/43/1084690143.db2.gz OQCJGGRKKLIZIA-MSOLQXFVSA-N 0 1 368.481 4.024 20 30 FIEDMN CC(C)Cn1ncc(C(=O)C(C#N)c2nccc3ccccc32)c1C1CC1 ZINC000582156931 1084723809 /nfs/dbraw/zinc/72/38/09/1084723809.db2.gz DXFSYHDZHHYGQD-SFHVURJKSA-N 0 1 358.445 4.455 20 30 FIEDMN Cc1[nH]nc2cc(NC(=O)c3occc3COc3cccc(C#N)c3)ccc12 ZINC000180327468 1085061525 /nfs/dbraw/zinc/06/15/25/1085061525.db2.gz XEURGCXIJBJSNL-UHFFFAOYSA-N 0 1 372.384 4.167 20 30 FIEDMN Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000124961768 1085225469 /nfs/dbraw/zinc/22/54/69/1085225469.db2.gz WZEPZJCACCVEJD-IEBWSBKVSA-N 0 1 350.462 4.133 20 30 FIEDMN N#CC(C(=O)c1cccc(-n2cccn2)c1)c1nc(-c2ccccc2)cs1 ZINC000117083869 1085422631 /nfs/dbraw/zinc/42/26/31/1085422631.db2.gz HMULQNHZCVRBFE-SFHVURJKSA-N 0 1 370.437 4.486 20 30 FIEDMN C=CCN1CC[C@@H](N(C)Cc2cccc(SCc3ccccc3)c2)C1=O ZINC000582731374 1085522689 /nfs/dbraw/zinc/52/26/89/1085522689.db2.gz CWPCFINDMSMZDV-OAQYLSRUSA-N 0 1 366.530 4.198 20 30 FIEDMN Cc1ccccc1C1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075717829 1085527984 /nfs/dbraw/zinc/52/79/84/1085527984.db2.gz GYJAHOCUCGWVTR-UHFFFAOYSA-N 0 1 358.445 4.296 20 30 FIEDMN N#Cc1csc(CNCCc2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000582755141 1085667620 /nfs/dbraw/zinc/66/76/20/1085667620.db2.gz HHDCHPQAXJEFIK-UHFFFAOYSA-N 0 1 360.895 4.124 20 30 FIEDMN C=CCN(CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)C(C)(C)C ZINC000661756343 1085798764 /nfs/dbraw/zinc/79/87/64/1085798764.db2.gz KWXROTCUETWIHM-UHFFFAOYSA-N 0 1 354.498 4.023 20 30 FIEDMN Cc1nn(C)cc1[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905875 1085805516 /nfs/dbraw/zinc/80/55/16/1085805516.db2.gz XPMUHOSVYYDOLR-INIZCTEOSA-N 0 1 360.461 4.030 20 30 FIEDMN N#Cc1ccccc1CNc1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001167634757 1085884987 /nfs/dbraw/zinc/88/49/87/1085884987.db2.gz YYISQWOPSDNUDZ-UHFFFAOYSA-N 0 1 354.457 4.124 20 30 FIEDMN N#Cc1ccccc1CNc1nccc2c1CCN(Cc1ccccc1)C2 ZINC001167634757 1085885000 /nfs/dbraw/zinc/88/50/00/1085885000.db2.gz YYISQWOPSDNUDZ-UHFFFAOYSA-N 0 1 354.457 4.124 20 30 FIEDMN Cn1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c(-c2ccccc2)n1 ZINC000091437989 1085985306 /nfs/dbraw/zinc/98/53/06/1085985306.db2.gz TVJAYTZDBJLPME-KRWDZBQOSA-N 0 1 352.397 4.125 20 30 FIEDMN C=CCOc1ccccc1CN[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000161524799 1086182047 /nfs/dbraw/zinc/18/20/47/1086182047.db2.gz JSLHCQOSCZOWKR-QGZVFWFLSA-N 0 1 350.462 4.229 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnccc2C(F)(F)F)s1 ZINC000566453900 1086225531 /nfs/dbraw/zinc/22/55/31/1086225531.db2.gz YQCDBNSUACIXGS-VIFPVBQESA-N 0 1 353.369 4.344 20 30 FIEDMN CC[C@@](C)(OC)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000796669496 1086248975 /nfs/dbraw/zinc/24/89/75/1086248975.db2.gz GIAYZMVZEHZCAH-DYZYQPBXSA-N 0 1 350.390 4.080 20 30 FIEDMN COc1cc(/C=C\C(=O)c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1O ZINC000211704398 1086324126 /nfs/dbraw/zinc/32/41/26/1086324126.db2.gz FLUMUGUXZQLCCG-SREVYHEPSA-N 0 1 367.279 4.224 20 30 FIEDMN C=C[C@@H](CC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1 ZINC000583395504 1086646428 /nfs/dbraw/zinc/64/64/28/1086646428.db2.gz YQXHISDPDGBDGD-ZDUSSCGKSA-N 0 1 352.825 4.424 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000245433053 1086782631 /nfs/dbraw/zinc/78/26/31/1086782631.db2.gz BPDSJBAOADVCQK-RYRKJORJSA-N 0 1 357.523 4.284 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000245433053 1086782638 /nfs/dbraw/zinc/78/26/38/1086782638.db2.gz BPDSJBAOADVCQK-RYRKJORJSA-N 0 1 357.523 4.284 20 30 FIEDMN C=CCC(CC=C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245667682 1086820584 /nfs/dbraw/zinc/82/05/84/1086820584.db2.gz HKPZCXCFPPNPEX-QFBILLFUSA-N 0 1 364.892 4.357 20 30 FIEDMN C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245667682 1086820596 /nfs/dbraw/zinc/82/05/96/1086820596.db2.gz HKPZCXCFPPNPEX-QFBILLFUSA-N 0 1 364.892 4.357 20 30 FIEDMN N#Cc1cc(CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)ccc1F ZINC000512152975 1086842095 /nfs/dbraw/zinc/84/20/95/1086842095.db2.gz QAUNUHMKBKCFPW-KRWDZBQOSA-N 0 1 353.224 4.217 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnc(-c3ccccc3)nc2)s1 ZINC000583670507 1086908896 /nfs/dbraw/zinc/90/88/96/1086908896.db2.gz PBAXIGLNZOJFSL-HNNXBMFYSA-N 0 1 362.458 4.388 20 30 FIEDMN C[C@H]1c2c(F)cccc2CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000583780696 1086960365 /nfs/dbraw/zinc/96/03/65/1086960365.db2.gz YSDNZRXMLDAVIG-ZDUSSCGKSA-N 0 1 371.843 4.299 20 30 FIEDMN C=CCC[C@H](NC(=O)[C@H](C)Cc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000583881034 1087009749 /nfs/dbraw/zinc/00/97/49/1087009749.db2.gz QCGZLZGEKIQZDJ-DYVFJYSZSA-N 0 1 365.399 4.431 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)[nH]1 ZINC000536212956 1087163345 /nfs/dbraw/zinc/16/33/45/1087163345.db2.gz CUWOGPUOLRTXNS-UHFFFAOYSA-N 0 1 361.792 4.335 20 30 FIEDMN C=CCC[C@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccco1 ZINC000584176248 1087206232 /nfs/dbraw/zinc/20/62/32/1087206232.db2.gz ANCWKUDBWMHWOP-NRFANRHFSA-N 0 1 366.505 4.358 20 30 FIEDMN COc1ccc2cccc(CC(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)c2c1 ZINC000780381588 1087343518 /nfs/dbraw/zinc/34/35/18/1087343518.db2.gz MCNVTIRCKHUQFT-LJQANCHMSA-N 0 1 369.424 4.452 20 30 FIEDMN CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000511272346 1087538511 /nfs/dbraw/zinc/53/85/11/1087538511.db2.gz PBULYKBBRJULJV-UHFFFAOYSA-N 0 1 358.463 4.270 20 30 FIEDMN C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000511300018 1087600315 /nfs/dbraw/zinc/60/03/15/1087600315.db2.gz JOZSMWBVSOBQGM-UHFFFAOYSA-N 0 1 361.323 4.399 20 30 FIEDMN N#Cc1ccc(CC(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000504637121 1087758477 /nfs/dbraw/zinc/75/84/77/1087758477.db2.gz GVLBJZCHOMCPQG-UHFFFAOYSA-N 0 1 370.387 4.422 20 30 FIEDMN COc1cc(OC)c(C(=O)/C=C\c2cc(F)c(O)c(F)c2)cc1Cl ZINC000255909019 1087907097 /nfs/dbraw/zinc/90/70/97/1087907097.db2.gz KWDMSKOEEOJHNE-ARJAWSKDSA-N 0 1 354.736 4.237 20 30 FIEDMN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424746683 1088198593 /nfs/dbraw/zinc/19/85/93/1088198593.db2.gz LTKFEMBTAMPZKG-PBHICJAKSA-N 0 1 352.881 4.190 20 30 FIEDMN Cc1oc(NC(=O)CN[C@@H](C)c2ccc(-c3cccnc3)cc2)c(C#N)c1C ZINC000181295919 1088298209 /nfs/dbraw/zinc/29/82/09/1088298209.db2.gz CKRACDAOKSFXDQ-HNNXBMFYSA-N 0 1 374.444 4.119 20 30 FIEDMN N#Cc1cc(Br)ccc1CN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000376557893 1088423503 /nfs/dbraw/zinc/42/35/03/1088423503.db2.gz LPRQISBDOUODLV-LPHOPBHVSA-N 0 1 371.278 4.188 20 30 FIEDMN Cc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)N2CCCC2)o1 ZINC000513934959 1088545267 /nfs/dbraw/zinc/54/52/67/1088545267.db2.gz AZYFEAYBJXPGCL-QGZVFWFLSA-N 0 1 372.856 4.072 20 30 FIEDMN CC(C)C[C@H](N)c1noc(-c2cccc(COc3cccc(C#N)c3)c2)n1 ZINC000414612327 1088868596 /nfs/dbraw/zinc/86/85/96/1088868596.db2.gz DNIOTEJNNHVXQC-IBGZPJMESA-N 0 1 362.433 4.233 20 30 FIEDMN CCn1nccc1C1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000434784430 1089040908 /nfs/dbraw/zinc/04/09/08/1089040908.db2.gz LJTFIYDLTPRCJW-UHFFFAOYSA-N 0 1 361.411 4.153 20 30 FIEDMN C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000434902731 1089123620 /nfs/dbraw/zinc/12/36/20/1089123620.db2.gz JGUBJFYEDHQNEE-KSSFIOAISA-N 0 1 353.853 4.028 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCC[C@@H](C)C2)cc1Cl ZINC000122422693 1089391320 /nfs/dbraw/zinc/39/13/20/1089391320.db2.gz MHQLPRNRRFQLLD-UMVBOHGHSA-N 0 1 362.857 4.212 20 30 FIEDMN CC(=Cc1cccc(OCc2ccccc2)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435334439 1089538144 /nfs/dbraw/zinc/53/81/44/1089538144.db2.gz BEXGQJICRGVSMP-PTNGSMBKSA-N 0 1 357.413 4.090 20 30 FIEDMN N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001167722015 1089772893 /nfs/dbraw/zinc/77/28/93/1089772893.db2.gz HCJPPELILZDRND-INIZCTEOSA-N 0 1 350.853 4.468 20 30 FIEDMN N#Cc1cc(Cl)cc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001167722015 1089772900 /nfs/dbraw/zinc/77/29/00/1089772900.db2.gz HCJPPELILZDRND-INIZCTEOSA-N 0 1 350.853 4.468 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 ZINC000728711954 1089808984 /nfs/dbraw/zinc/80/89/84/1089808984.db2.gz PUYPSROBLFSSQU-GQWLDOHISA-N 0 1 354.425 4.126 20 30 FIEDMN CCCCn1ncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000435743158 1089920094 /nfs/dbraw/zinc/92/00/94/1089920094.db2.gz ZBTDBQXHWBNODV-CYBMUJFWSA-N 0 1 371.391 4.227 20 30 FIEDMN C=CCOc1ccc(CN[C@@H](C[S@](C)=O)c2ccccc2)cc1Cl ZINC000182095200 1090048344 /nfs/dbraw/zinc/04/83/44/1090048344.db2.gz ROZPBYZOYCFEAY-UUOWRZLLSA-N 0 1 363.910 4.114 20 30 FIEDMN N#Cc1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)c(Br)c1 ZINC000481082573 1090148719 /nfs/dbraw/zinc/14/87/19/1090148719.db2.gz WWIIXXMOMJKWRP-KRWDZBQOSA-N 0 1 363.299 4.244 20 30 FIEDMN COc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cc2Br)C1 ZINC000481122647 1090195947 /nfs/dbraw/zinc/19/59/47/1090195947.db2.gz VWIAFYZBLKFSPD-OAHLLOKOSA-N 0 1 371.278 4.319 20 30 FIEDMN COc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cc2Br)C1 ZINC000481122646 1090196673 /nfs/dbraw/zinc/19/66/73/1090196673.db2.gz VWIAFYZBLKFSPD-HNNXBMFYSA-N 0 1 371.278 4.319 20 30 FIEDMN N#Cc1ccc(C[N@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c(Cl)c1 ZINC000584788103 1090891477 /nfs/dbraw/zinc/89/14/77/1090891477.db2.gz JRMODJJEAJPPBN-WGSAOQKQSA-N 0 1 370.880 4.223 20 30 FIEDMN N#Cc1ccc(CN(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c(Cl)c1 ZINC000584788103 1090891491 /nfs/dbraw/zinc/89/14/91/1090891491.db2.gz JRMODJJEAJPPBN-WGSAOQKQSA-N 0 1 370.880 4.223 20 30 FIEDMN Cc1nc2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2[nH]1 ZINC000584851383 1090946031 /nfs/dbraw/zinc/94/60/31/1090946031.db2.gz WTLLSDWQGOBTRD-CQSZACIVSA-N 0 1 359.216 4.173 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000123183517 1091111622 /nfs/dbraw/zinc/11/16/22/1091111622.db2.gz JXNBEZVJTANZFP-HNNXBMFYSA-N 0 1 351.837 4.381 20 30 FIEDMN N#CC(C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CC12CCC2 ZINC000759835668 1091279549 /nfs/dbraw/zinc/27/95/49/1091279549.db2.gz SPYQXIIILGQNHF-SJORKVTESA-N 0 1 360.413 4.316 20 30 FIEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759846568 1091303413 /nfs/dbraw/zinc/30/34/13/1091303413.db2.gz ZPYNQJPRNXYFGD-GOSISDBHSA-N 0 1 364.804 4.109 20 30 FIEDMN C[C@H](C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(F)(F)F ZINC000511743876 1091602277 /nfs/dbraw/zinc/60/22/77/1091602277.db2.gz YFFVZXRMESUUCE-HZGVNTEJSA-N 0 1 365.220 4.206 20 30 FIEDMN C[C@@H]1c2ccsc2CCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279323120 1091867085 /nfs/dbraw/zinc/86/70/85/1091867085.db2.gz BXJGUIMNTKSTQZ-OAHLLOKOSA-N 0 1 363.490 4.040 20 30 FIEDMN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1 ZINC000279497352 1091908113 /nfs/dbraw/zinc/90/81/13/1091908113.db2.gz JTFQWAMDERDKBG-QGZVFWFLSA-N 0 1 369.428 4.023 20 30 FIEDMN N#C[C@@H]1CCC[C@@H](NCc2cc(Br)ccc2Br)C1 ZINC000618578511 1092110238 /nfs/dbraw/zinc/11/02/38/1092110238.db2.gz AZOACGFSQXSYBD-ZWNOBZJWSA-N 0 1 372.104 4.384 20 30 FIEDMN COC(=O)c1cc([C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)oc1C ZINC000432778219 1092327794 /nfs/dbraw/zinc/32/77/94/1092327794.db2.gz XYZDBQRXTWNGJO-CQSZACIVSA-N 0 1 350.418 4.097 20 30 FIEDMN COC(=O)c1cc([C@@H](C)N2CC=C(c3ccc(C#N)cc3)CC2)oc1C ZINC000432778219 1092327802 /nfs/dbraw/zinc/32/78/02/1092327802.db2.gz XYZDBQRXTWNGJO-CQSZACIVSA-N 0 1 350.418 4.097 20 30 FIEDMN C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000508385500 1092536419 /nfs/dbraw/zinc/53/64/19/1092536419.db2.gz DEYCBLZTBVPARP-RDJZCZTQSA-N 0 1 353.470 4.063 20 30 FIEDMN C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000508385500 1092536432 /nfs/dbraw/zinc/53/64/32/1092536432.db2.gz DEYCBLZTBVPARP-RDJZCZTQSA-N 0 1 353.470 4.063 20 30 FIEDMN C=C(C)CN(CCC(=O)Nc1cccc(F)c1)Cc1cnn(C(C)C)c1 ZINC000512506805 1092598449 /nfs/dbraw/zinc/59/84/49/1092598449.db2.gz QHLOIQMADXYXEC-UHFFFAOYSA-N 0 1 358.461 4.010 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(Br)cn1)c1ccc(OCC#N)cc1 ZINC000279930527 1092652952 /nfs/dbraw/zinc/65/29/52/1092652952.db2.gz AQPBDLQSLOGSAW-STQMWFEESA-N 0 1 360.255 4.158 20 30 FIEDMN CCN(Cc1ccc(OCC(F)(F)F)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000473272198 1092699024 /nfs/dbraw/zinc/69/90/24/1092699024.db2.gz MVSXBTNLFJDOPG-AWEZNQCLSA-N 0 1 363.383 4.477 20 30 FIEDMN C=CCC(F)(F)C(=O)N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000843702545 1092707967 /nfs/dbraw/zinc/70/79/67/1092707967.db2.gz MPIBUJDVHBCGPG-LBPRGKRZSA-N 0 1 350.262 4.238 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(SCc3ccccc3)cn2)cc1O ZINC000443057272 1092929917 /nfs/dbraw/zinc/92/99/17/1092929917.db2.gz JNDUWMLRWDUVJE-UHFFFAOYSA-N 0 1 361.426 4.203 20 30 FIEDMN C=CCCc1ccccc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000443418103 1093122672 /nfs/dbraw/zinc/12/26/72/1093122672.db2.gz MVGOTYDQWSMMFH-UHFFFAOYSA-N 0 1 353.390 4.207 20 30 FIEDMN C=CC1CCN(CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000522163520 1093136067 /nfs/dbraw/zinc/13/60/67/1093136067.db2.gz WJHREOOWPMVYPQ-HSZRJFAPSA-N 0 1 366.480 4.272 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](c2ccccc2)C1 ZINC000433059568 1093178457 /nfs/dbraw/zinc/17/84/57/1093178457.db2.gz ULJXFVXNYDNXLG-CTNGQTDRSA-N 0 1 361.489 4.201 20 30 FIEDMN C[C@@H]1C[C@@H]1c1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)o1 ZINC000522197637 1093202159 /nfs/dbraw/zinc/20/21/59/1093202159.db2.gz RGRDDVHACBUQHO-UZLBHIALSA-N 0 1 360.461 4.470 20 30 FIEDMN N#Cc1cc(CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)ccn1 ZINC000614227604 1093258595 /nfs/dbraw/zinc/25/85/95/1093258595.db2.gz OQQZBYHRDKHDHV-QGZVFWFLSA-N 0 1 360.230 4.096 20 30 FIEDMN C#CCN1CCC(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)CC1 ZINC000108706770 1093484574 /nfs/dbraw/zinc/48/45/74/1093484574.db2.gz PHHWHJNBYZMXTO-UHFFFAOYSA-N 0 1 367.518 4.019 20 30 FIEDMN CN(CC/C=C/c1cccnc1)Cc1ccc(Br)cc1C#N ZINC001141816712 1093597387 /nfs/dbraw/zinc/59/73/87/1093597387.db2.gz IBKMPEVPLGDXAA-GORDUTHDSA-N 0 1 356.267 4.251 20 30 FIEDMN CC(C)(C)c1n[nH]c(SCC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000433371680 1093628034 /nfs/dbraw/zinc/62/80/34/1093628034.db2.gz MMEYRXDYLVOCCZ-UHFFFAOYSA-N 0 1 355.385 4.145 20 30 FIEDMN Cc1sc(NC(=O)CN(Cc2ccccc2)C(C)(C)C)c(C#N)c1C ZINC000474281450 1093651383 /nfs/dbraw/zinc/65/13/83/1093651383.db2.gz BYMYXIOXAZAQNG-UHFFFAOYSA-N 0 1 355.507 4.476 20 30 FIEDMN CCCCO[C@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000729090952 1093929094 /nfs/dbraw/zinc/92/90/94/1093929094.db2.gz VZGUJEJHXYCPEM-NEPJUHHUSA-N 0 1 364.417 4.470 20 30 FIEDMN CN(Cc1cc(Br)cs1)Cc1ccc(OCC#N)cc1 ZINC000729267326 1093954512 /nfs/dbraw/zinc/95/45/12/1093954512.db2.gz RAIAMCLHNBRYIA-UHFFFAOYSA-N 0 1 351.269 4.045 20 30 FIEDMN N#CC(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1 ZINC000513198013 1094000257 /nfs/dbraw/zinc/00/02/57/1094000257.db2.gz XQGGEJAFODLIDE-JTQLQIEISA-N 0 1 359.229 4.004 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000513209003 1094007043 /nfs/dbraw/zinc/00/70/43/1094007043.db2.gz DJWPIOGNKIZUJS-NVXWUHKLSA-N 0 1 369.534 4.358 20 30 FIEDMN C=CCOc1ccc(CN2CCC(C)(c3nc(C)no3)CC2)cc1Cl ZINC000513362848 1094080587 /nfs/dbraw/zinc/08/05/87/1094080587.db2.gz FHFJLQGCEBCISY-UHFFFAOYSA-N 0 1 361.873 4.150 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2cc3ccccc3o2)c(C#N)c1C ZINC000182630541 1094140651 /nfs/dbraw/zinc/14/06/51/1094140651.db2.gz TYRHVGXNKWQWFQ-QWHCGFSZSA-N 0 1 351.406 4.192 20 30 FIEDMN C[C@@H](C(=O)Nc1ccc(CC#N)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000025507672 1094344841 /nfs/dbraw/zinc/34/48/41/1094344841.db2.gz CBFZEOOHDYKYGT-SFHVURJKSA-N 0 1 361.489 4.034 20 30 FIEDMN C=CCOc1ccc(CNc2ccc3c(c2)nc(C)n3[C@@H](C)CO)cc1 ZINC000419764375 1094591864 /nfs/dbraw/zinc/59/18/64/1094591864.db2.gz PDRCUTMOUODQAM-HNNXBMFYSA-N 0 1 351.450 4.075 20 30 FIEDMN C=CCOc1ccc(CNc2ccc3c(c2)nc(C)n3[C@H](C)CO)cc1 ZINC000419764376 1094592081 /nfs/dbraw/zinc/59/20/81/1094592081.db2.gz PDRCUTMOUODQAM-OAHLLOKOSA-N 0 1 351.450 4.075 20 30 FIEDMN N#C[C@H](C(=O)c1csc(Cc2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000041494208 1094619934 /nfs/dbraw/zinc/61/99/34/1094619934.db2.gz LASRVQCEABMASC-CQSZACIVSA-N 0 1 358.426 4.100 20 30 FIEDMN N#CC(C(=O)c1csc(Cc2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000041494208 1094619944 /nfs/dbraw/zinc/61/99/44/1094619944.db2.gz LASRVQCEABMASC-CQSZACIVSA-N 0 1 358.426 4.100 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(OCc3csc(C)n3)c2)n1 ZINC000041517995 1094641552 /nfs/dbraw/zinc/64/15/52/1094641552.db2.gz UMAITFVAMXGTOX-MRXNPFEDSA-N 0 1 369.471 4.286 20 30 FIEDMN COc1ccc(C)cc1NC(=O)CNC(=O)CN1CC[C@@H](C)C2(CCC2)C1 ZINC000329138329 1094754485 /nfs/dbraw/zinc/75/44/85/1094754485.db2.gz IERAAZAJCOTQCH-MRXNPFEDSA-N 0 1 373.497 4.060 20 30 FIEDMN COc1cccc(NC2CCN([C@H](C)C(=O)NC3CCC(C)CC3)CC2)c1 ZINC000329200573 1094779303 /nfs/dbraw/zinc/77/93/03/1094779303.db2.gz BNQMSMNJQSYTIW-LXPRWKDFSA-N 0 1 373.541 4.495 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)n1 ZINC000182558466 1094788294 /nfs/dbraw/zinc/78/82/94/1094788294.db2.gz TULPRLOHWFFJSQ-AWEZNQCLSA-N 0 1 366.446 4.289 20 30 FIEDMN Cc1cc(C2CCN(CC(=O)Nc3nc4ccc(C)cc4s3)CC2)[nH]n1 ZINC000329290076 1094824625 /nfs/dbraw/zinc/82/46/25/1094824625.db2.gz IFJKOYMKYKUYPN-UHFFFAOYSA-N 0 1 369.494 4.104 20 30 FIEDMN COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000329300897 1094827675 /nfs/dbraw/zinc/82/76/75/1094827675.db2.gz VXVAYXLADBRHJL-JCGIZDLHSA-N 0 1 368.481 4.183 20 30 FIEDMN CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CCC[C@@H]1CCC1CCCC1)CC2 ZINC000329336230 1094847393 /nfs/dbraw/zinc/84/73/93/1094847393.db2.gz LQNYUUPMQVGNPD-QZTJIDSGSA-N 0 1 373.545 4.065 20 30 FIEDMN Cc1cccc([C@@H]2CCCCN2C(=O)N[C@H]2CCc3nc[nH]c3C2)c1C ZINC000329608915 1094998773 /nfs/dbraw/zinc/99/87/73/1094998773.db2.gz ITQRIXDYEVBPJD-JXFKEZNVSA-N 0 1 352.482 4.025 20 30 FIEDMN C[C@@H](c1ccc(F)cc1F)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502168679 1095170606 /nfs/dbraw/zinc/17/06/06/1095170606.db2.gz GCUTXOWUYVTQJG-AWEZNQCLSA-N 0 1 369.415 4.248 20 30 FIEDMN CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1ccc(F)cc1C#N ZINC000502263651 1095258426 /nfs/dbraw/zinc/25/84/26/1095258426.db2.gz YCGUXCVUGPHMIN-UHFFFAOYSA-N 0 1 367.346 4.058 20 30 FIEDMN CC1(NC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)Cc2ccccc2C1 ZINC000329804391 1095270165 /nfs/dbraw/zinc/27/01/65/1095270165.db2.gz ZZBBWXXGVMWLCT-WOJBJXKFSA-N 0 1 368.452 4.107 20 30 FIEDMN CC1(NC([O-])=[NH+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)Cc2ccccc2C1 ZINC000329804391 1095270181 /nfs/dbraw/zinc/27/01/81/1095270181.db2.gz ZZBBWXXGVMWLCT-WOJBJXKFSA-N 0 1 368.452 4.107 20 30 FIEDMN Cc1nc(CC2CC2)oc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000330015604 1095350696 /nfs/dbraw/zinc/35/06/96/1095350696.db2.gz OFXISTCAUIKWGU-MAUKXSAKSA-N 0 1 373.522 4.385 20 30 FIEDMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)C1C2CC3CC(C2)CC1C3 ZINC000330021473 1095354317 /nfs/dbraw/zinc/35/43/17/1095354317.db2.gz XWUVSRSXLMGSDX-BFRPXFFUSA-N 0 1 350.466 4.117 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC(=O)N1CCC[C@@H]1c1cccs1)CC2 ZINC000330037512 1095360253 /nfs/dbraw/zinc/36/02/53/1095360253.db2.gz DGZKTRKXMRJCSZ-HZPDHXFCSA-N 0 1 358.511 4.134 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H](NC([O-])=[NH+]C1(c3ccccc3)CCCC1)CC2 ZINC000330072187 1095371279 /nfs/dbraw/zinc/37/12/79/1095371279.db2.gz YVDMWIOZYPJPQU-IBGZPJMESA-N 0 1 366.509 4.294 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H]([NH+]=C([O-])NC1(c3ccccc3)CCCC1)CC2 ZINC000330072187 1095371297 /nfs/dbraw/zinc/37/12/97/1095371297.db2.gz YVDMWIOZYPJPQU-IBGZPJMESA-N 0 1 366.509 4.294 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000330082911 1095372873 /nfs/dbraw/zinc/37/28/73/1095372873.db2.gz QIAXOLWFDKSJGI-QGZVFWFLSA-N 0 1 358.873 4.234 20 30 FIEDMN CC(C)(CNC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccc(F)cc1Cl ZINC000330092506 1095377872 /nfs/dbraw/zinc/37/78/72/1095377872.db2.gz YUYBRYBWLNMANE-HNNXBMFYSA-N 0 1 364.852 4.061 20 30 FIEDMN O=C(Nc1ccc2nc(C3CC3)sc2c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330103340 1095381355 /nfs/dbraw/zinc/38/13/55/1095381355.db2.gz GGOAFHCPXUBNHI-CQSZACIVSA-N 0 1 353.451 4.110 20 30 FIEDMN O=C(Nc1nccn1Cc1ccccc1)[C@@H]1CCCCN1C1CCCC1 ZINC000330112263 1095383438 /nfs/dbraw/zinc/38/34/38/1095383438.db2.gz BUMRBNHAGRLDOZ-IBGZPJMESA-N 0 1 352.482 4.317 20 30 FIEDMN O=C(Nc1nccn1Cc1ccccc1)[C@H]1CCCCN1C1CCCC1 ZINC000330112264 1095383668 /nfs/dbraw/zinc/38/36/68/1095383668.db2.gz BUMRBNHAGRLDOZ-LJQANCHMSA-N 0 1 352.482 4.317 20 30 FIEDMN Cc1noc([C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@@H](c4ccccc4)C3)C2)n1 ZINC000330122649 1095387320 /nfs/dbraw/zinc/38/73/20/1095387320.db2.gz AIWMBZIYGSAQKT-GUDVDZBRSA-N 0 1 368.481 4.198 20 30 FIEDMN C[C@H](CNC(=O)N[C@@H]1CCCc2cn[nH]c21)c1c(Cl)cccc1Cl ZINC000330137890 1095392905 /nfs/dbraw/zinc/39/29/05/1095392905.db2.gz OBZBWAGNOQCZGL-QMTHXVAHSA-N 0 1 367.280 4.401 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCC[C@H](c2ccccc2)C1)N1CCC(c2ncc[nH]2)CC1 ZINC000330184820 1095406678 /nfs/dbraw/zinc/40/66/78/1095406678.db2.gz QYXWGXQITPOGPN-RBUKOAKNSA-N 0 1 352.482 4.230 20 30 FIEDMN Cc1ccc(NC(=O)[C@H]2CCCN2C2CC2)cc1OCC1CCOCC1 ZINC000330247176 1095432842 /nfs/dbraw/zinc/43/28/42/1095432842.db2.gz YRONUCYLNWQYPC-LJQANCHMSA-N 0 1 358.482 4.015 20 30 FIEDMN Cc1nn(C(C)(C)C)c(C)c1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000513745541 1095465319 /nfs/dbraw/zinc/46/53/19/1095465319.db2.gz AOWWAHDXCJPKSV-UHFFFAOYSA-N 0 1 366.509 4.170 20 30 FIEDMN CC(C)(CC#N)C/N=C/c1cc(Br)cc(Br)c1O ZINC000840709459 1095541249 /nfs/dbraw/zinc/54/12/49/1095541249.db2.gz DGFCEDVIMAMFHH-REZTVBANSA-N 0 1 374.076 4.276 20 30 FIEDMN COc1ccc2oc(CN3CCC(Oc4ccc(C#N)cc4)CC3)cc2c1 ZINC000513750158 1095680836 /nfs/dbraw/zinc/68/08/36/1095680836.db2.gz BQGQPTJETZOGSC-UHFFFAOYSA-N 0 1 362.429 4.356 20 30 FIEDMN N#CCCCOc1cccc(NC(=O)c2ccc(Nc3ccncc3)cc2)c1 ZINC000522849869 1095781931 /nfs/dbraw/zinc/78/19/31/1095781931.db2.gz HQBDGLVQUTZPCB-UHFFFAOYSA-N 0 1 372.428 4.182 20 30 FIEDMN N#Cc1ccc(CN[C@H]2CCc3c2cc(Br)cc3F)s1 ZINC000421875366 1095970816 /nfs/dbraw/zinc/97/08/16/1095970816.db2.gz IYWUFUWMSHKNPT-HNNXBMFYSA-N 0 1 351.244 4.298 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc1O ZINC000504264233 1096731840 /nfs/dbraw/zinc/73/18/40/1096731840.db2.gz HGRJDKRKSFFXQZ-UHFFFAOYSA-N 0 1 370.714 4.111 20 30 FIEDMN N#Cc1ccccc1OCCN1CCC(Oc2ccccc2Cl)CC1 ZINC000533147512 1098819006 /nfs/dbraw/zinc/81/90/06/1098819006.db2.gz BQESBXKXLAATGL-UHFFFAOYSA-N 0 1 356.853 4.134 20 30 FIEDMN C=C(C)COc1cc(CNC2(c3ccc4c(c3)OCO4)CC2)ccc1OC ZINC000533201028 1098879108 /nfs/dbraw/zinc/87/91/08/1098879108.db2.gz LTYOLUQKPYZHIW-UHFFFAOYSA-N 0 1 367.445 4.158 20 30 FIEDMN Cc1ccnc([C@@H]2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)c1 ZINC000515865114 1099007209 /nfs/dbraw/zinc/00/72/09/1099007209.db2.gz XHUPTZGXYDUYPD-QGZVFWFLSA-N 0 1 360.379 4.130 20 30 FIEDMN C=CCn1c(SCc2cc(O)ccc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000436475865 1099051799 /nfs/dbraw/zinc/05/17/99/1099051799.db2.gz XBSPSVKDPYNBEB-UHFFFAOYSA-N 0 1 368.418 4.037 20 30 FIEDMN CN(CCC#N)c1ccc(CN[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000078378680 1099531503 /nfs/dbraw/zinc/53/15/03/1099531503.db2.gz FMMVJUXSTKQZBG-QHCPKHFHSA-N 0 1 356.473 4.311 20 30 FIEDMN N#CC(C(=O)c1ccc(Cl)c(F)c1)c1nc(-c2ccncc2)cs1 ZINC000162083263 1099622055 /nfs/dbraw/zinc/62/20/55/1099622055.db2.gz DNLOUWACPLQRDQ-LBPRGKRZSA-N 0 1 357.797 4.488 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cc(C)n(C)c3C)n2)cc1 ZINC000516713597 1099749330 /nfs/dbraw/zinc/74/93/30/1099749330.db2.gz AUVJSVYHQSSSLH-KRWDZBQOSA-N 0 1 365.458 4.264 20 30 FIEDMN COc1ccc([C@@H]2CCN(Cc3ccc(C#N)cc3OC(F)F)C2)cc1 ZINC000437353585 1099824395 /nfs/dbraw/zinc/82/43/95/1099824395.db2.gz DNBNTGDFXMPPCV-MRXNPFEDSA-N 0 1 358.388 4.158 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc(-c2ccccc2)ns1 ZINC000437552497 1099982256 /nfs/dbraw/zinc/98/22/56/1099982256.db2.gz ANPRQQIBSPKOMJ-CQSZACIVSA-N 0 1 358.426 4.187 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cc(-c2ccccc2)ns1 ZINC000437552497 1099982260 /nfs/dbraw/zinc/98/22/60/1099982260.db2.gz ANPRQQIBSPKOMJ-CQSZACIVSA-N 0 1 358.426 4.187 20 30 FIEDMN CCCN(Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccc(C#N)cc1 ZINC000437588236 1100018414 /nfs/dbraw/zinc/01/84/14/1100018414.db2.gz HZSIQIGBPKJMLC-UHFFFAOYSA-N 0 1 362.452 4.354 20 30 FIEDMN C=CCOc1ccccc1CNCc1c(C)nc2scc(C3CC3)n12 ZINC000459406913 1100127491 /nfs/dbraw/zinc/12/74/91/1100127491.db2.gz HEXLBDHZQGRUPM-UHFFFAOYSA-N 0 1 353.491 4.436 20 30 FIEDMN Cc1oc(NC(=O)CN(Cc2ccc(F)cc2)C(C)(C)C)c(C#N)c1C ZINC000438592694 1100780798 /nfs/dbraw/zinc/78/07/98/1100780798.db2.gz SDRLLORWAVUICP-UHFFFAOYSA-N 0 1 357.429 4.146 20 30 FIEDMN N#CC(C(=O)CC1CCCC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126596785 1100962485 /nfs/dbraw/zinc/96/24/85/1100962485.db2.gz LARCYKPUJYQBJO-AWEZNQCLSA-N 0 1 352.406 4.229 20 30 FIEDMN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000518407530 1101174422 /nfs/dbraw/zinc/17/44/22/1101174422.db2.gz ZHPUPEBPMTUPFM-SIKLNZKXSA-N 0 1 363.505 4.220 20 30 FIEDMN C[C@H](NCc1cccc(C#N)c1F)c1ccc(OCC(F)(F)F)cc1 ZINC000537061394 1101432258 /nfs/dbraw/zinc/43/22/58/1101432258.db2.gz KTFJLDKVFJCDHZ-LBPRGKRZSA-N 0 1 352.331 4.489 20 30 FIEDMN Cc1cccc(C(NCC(=O)N[C@](C)(C#N)C(C)C)c2cccc(C)c2)c1 ZINC000439550188 1101543957 /nfs/dbraw/zinc/54/39/57/1101543957.db2.gz LCGTZHMIIXZUOS-HSZRJFAPSA-N 0 1 363.505 4.037 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127463681 1101544584 /nfs/dbraw/zinc/54/45/84/1101544584.db2.gz UAIZAYFVNQALEQ-STQMWFEESA-N 0 1 361.367 4.255 20 30 FIEDMN CN(Cc1ccc(C#N)cc1)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000054174593 1101548665 /nfs/dbraw/zinc/54/86/65/1101548665.db2.gz HLZASQKVWTZAPS-UHFFFAOYSA-N 0 1 355.441 4.443 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2oc(C3CC3)nc2C)cc1 ZINC000760185157 1101586676 /nfs/dbraw/zinc/58/66/76/1101586676.db2.gz YIAFOUQPPSGQJF-SJCJKPOMSA-N 0 1 365.433 4.335 20 30 FIEDMN C=CCCC[C@H](C)NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000537266935 1101593425 /nfs/dbraw/zinc/59/34/25/1101593425.db2.gz UPLZGKGJDXLMET-INIZCTEOSA-N 0 1 367.497 4.106 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)o1 ZINC000537349877 1101683436 /nfs/dbraw/zinc/68/34/36/1101683436.db2.gz SUTPNZXACDHUBZ-UHFFFAOYSA-N 0 1 368.414 4.361 20 30 FIEDMN C=CCOc1ccccc1CN1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000506687007 1101786843 /nfs/dbraw/zinc/78/68/43/1101786843.db2.gz IYLDYJMPYORYPK-UHFFFAOYSA-N 0 1 365.473 4.355 20 30 FIEDMN N#CC[C@@H](CC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1 ZINC000476068479 1101857800 /nfs/dbraw/zinc/85/78/00/1101857800.db2.gz WPEXRHPTMRVNSA-AWEZNQCLSA-N 0 1 365.824 4.151 20 30 FIEDMN Cn1cc(C=NNc2ccc(Br)cn2)c(C2CCCCC2)n1 ZINC000783839689 1101961183 /nfs/dbraw/zinc/96/11/83/1101961183.db2.gz OPRQXGSMMXUJRK-UHFFFAOYSA-N 0 1 362.275 4.071 20 30 FIEDMN CCSc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000103500038 1102198126 /nfs/dbraw/zinc/19/81/26/1102198126.db2.gz VSBZCJMLEYUQOK-LSDHHAIUSA-N 0 1 353.491 4.348 20 30 FIEDMN CN(C(=O)CN(Cc1ccoc1)C1CCCCC1)C1(C#N)CCCCC1 ZINC000303867482 1102601387 /nfs/dbraw/zinc/60/13/87/1102601387.db2.gz HNGLMKORQRVKMV-UHFFFAOYSA-N 0 1 357.498 4.099 20 30 FIEDMN CC(C)(CC#N)CNC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459261453 1102685812 /nfs/dbraw/zinc/68/58/12/1102685812.db2.gz RVDGYPPTPILXFZ-HNNXBMFYSA-N 0 1 359.861 4.003 20 30 FIEDMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)o1 ZINC000519568384 1102729394 /nfs/dbraw/zinc/72/93/94/1102729394.db2.gz RBCKEMUFCUDRKB-KDOFPFPSSA-N 0 1 354.425 4.457 20 30 FIEDMN Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000237493354 1102973638 /nfs/dbraw/zinc/97/36/38/1102973638.db2.gz OSJMWADQFPJAIT-KRWDZBQOSA-N 0 1 374.488 4.129 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000426815508 1103009408 /nfs/dbraw/zinc/00/94/08/1103009408.db2.gz FWDXWDJFXOLABO-ZACQAIPSSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000426815505 1103009703 /nfs/dbraw/zinc/00/97/03/1103009703.db2.gz FWDXWDJFXOLABO-BRWVUGGUSA-N 0 1 357.523 4.141 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000237493401 1103019234 /nfs/dbraw/zinc/01/92/34/1103019234.db2.gz NFKJYMVZFDRCEX-INIZCTEOSA-N 0 1 360.461 4.070 20 30 FIEDMN C=CCOc1ccc(CNCc2cc(Br)cc3c2OCC3)cc1 ZINC000322071517 1103062067 /nfs/dbraw/zinc/06/20/67/1103062067.db2.gz AHNKGZVLORFXJN-UHFFFAOYSA-N 0 1 374.278 4.239 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC001211975767 1103134738 /nfs/dbraw/zinc/13/47/38/1103134738.db2.gz PLAQUWGPDMPEHX-PBHICJAKSA-N 0 1 365.424 4.093 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cccc(OCC)c2)no1 ZINC001211976017 1103137713 /nfs/dbraw/zinc/13/77/13/1103137713.db2.gz XGWNVJZJSJOHGH-MJGOQNOKSA-N 0 1 373.497 4.213 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cc(F)ccc2C)no1 ZINC001211975924 1103138502 /nfs/dbraw/zinc/13/85/02/1103138502.db2.gz UNAFQIVJDRFVJX-WMZOPIPTSA-N 0 1 361.461 4.262 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cc(F)cc(F)c2)no1 ZINC001211976064 1103147575 /nfs/dbraw/zinc/14/75/75/1103147575.db2.gz YFMNKGDALACYJE-SJORKVTESA-N 0 1 365.424 4.093 20 30 FIEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000477141240 1103163105 /nfs/dbraw/zinc/16/31/05/1103163105.db2.gz VDKRCUXQQMTZOO-GOSISDBHSA-N 0 1 351.494 4.243 20 30 FIEDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(C(C)(C)C#N)cc3)cccc21 ZINC000477147150 1103168859 /nfs/dbraw/zinc/16/88/59/1103168859.db2.gz APZSUQDBYLKADN-LJQANCHMSA-N 0 1 363.461 4.125 20 30 FIEDMN CN(Cc1cn(C)nc1-c1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000507200367 1103197669 /nfs/dbraw/zinc/19/76/69/1103197669.db2.gz CMCDLVFBNSRMBV-UHFFFAOYSA-N 0 1 350.853 4.244 20 30 FIEDMN CC[C@@](C)(C#N)C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000507672232 1103594029 /nfs/dbraw/zinc/59/40/29/1103594029.db2.gz JLKACCGRTWGHAN-IBGZPJMESA-N 0 1 354.360 4.386 20 30 FIEDMN Cc1ccc(-c2n[nH]c(SCCCOc3cccc(C#N)c3)n2)cc1 ZINC000477536973 1103619942 /nfs/dbraw/zinc/61/99/42/1103619942.db2.gz KLSBPJAUHYTIDK-UHFFFAOYSA-N 0 1 350.447 4.213 20 30 FIEDMN N#CCC1(CNC(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000519629247 1103751553 /nfs/dbraw/zinc/75/15/53/1103751553.db2.gz FPDBFXQTTMKMCJ-INIZCTEOSA-N 0 1 371.872 4.147 20 30 FIEDMN CSc1ccccc1[C@H](C)N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000440613174 1103826837 /nfs/dbraw/zinc/82/68/37/1103826837.db2.gz MPWMCWRTJMIERT-GWWPLSDWSA-N 0 1 373.566 4.378 20 30 FIEDMN CCCN(CCc1ccc(C#N)cc1)CC(=O)Nc1ccc(Cl)cc1 ZINC001167989661 1104294249 /nfs/dbraw/zinc/29/42/49/1104294249.db2.gz CPEXEVFQJFWKQB-UHFFFAOYSA-N 0 1 355.869 4.105 20 30 FIEDMN Cc1nc(-c2ccc(NS(=O)(=O)c3cccc(C)c3C#N)cc2)cs1 ZINC000441367218 1104309644 /nfs/dbraw/zinc/30/96/44/1104309644.db2.gz QDKHAXYWDZWVTN-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cc(C(C)C)nn3C)n2)cc1 ZINC000473927508 1104397107 /nfs/dbraw/zinc/39/71/07/1104397107.db2.gz JPEBSAJKHZLCII-HNNXBMFYSA-N 0 1 364.474 4.466 20 30 FIEDMN Cc1cn2c(n1)[C@@H](CNC([O-])=[NH+]CC(C)(C)c1cccc(Cl)c1)CCC2 ZINC000328657886 1104526081 /nfs/dbraw/zinc/52/60/81/1104526081.db2.gz PXOLRIHOQCEGIG-OAHLLOKOSA-N 0 1 374.916 4.204 20 30 FIEDMN Cc1cn2c(n1)[C@@H](C[NH+]=C([O-])NCC(C)(C)c1cccc(Cl)c1)CCC2 ZINC000328657886 1104526089 /nfs/dbraw/zinc/52/60/89/1104526089.db2.gz PXOLRIHOQCEGIG-OAHLLOKOSA-N 0 1 374.916 4.204 20 30 FIEDMN Cc1nc2cccc(C(=O)N[C@H](C)c3nc(C4CCCCC4)no3)c2[nH]1 ZINC000328680291 1104535761 /nfs/dbraw/zinc/53/57/61/1104535761.db2.gz BXUJFBPWUVZUFB-LLVKDONJSA-N 0 1 353.426 4.368 20 30 FIEDMN Cc1nc2cccc(C(=O)N[C@@H](C)c3nc(C4CCCCC4)no3)c2[nH]1 ZINC000328680292 1104535975 /nfs/dbraw/zinc/53/59/75/1104535975.db2.gz BXUJFBPWUVZUFB-NSHDSACASA-N 0 1 353.426 4.368 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)Nc3ccc4nc(C)sc4c3)C2)n[nH]1 ZINC000328683595 1104536317 /nfs/dbraw/zinc/53/63/17/1104536317.db2.gz PIMMMTXXPMNMPH-CYBMUJFWSA-N 0 1 355.467 4.061 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC(C)(C)Cc4oc(C)cc43)C2)n[nH]1 ZINC000328752826 1104550061 /nfs/dbraw/zinc/55/00/61/1104550061.db2.gz SARGLDAWDKMARE-CRAIPNDOSA-N 0 1 370.497 4.427 20 30 FIEDMN Cn1cc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c(C2CCCCC2)n1 ZINC000328816509 1104562648 /nfs/dbraw/zinc/56/26/48/1104562648.db2.gz GXUSCZPVEHBJKS-PZJWPPBQSA-N 0 1 366.509 4.218 20 30 FIEDMN CCN1CCN(c2ccccc2NC(=O)c2coc(C3CCCC3)n2)CC1 ZINC000328779988 1104566227 /nfs/dbraw/zinc/56/62/27/1104566227.db2.gz GWKCTMMBSDWNSC-UHFFFAOYSA-N 0 1 368.481 4.110 20 30 FIEDMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC000328779833 1104566383 /nfs/dbraw/zinc/56/63/83/1104566383.db2.gz MHXIZPPXDLTYJO-HFTRVMKXSA-N 0 1 371.506 4.135 20 30 FIEDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC000328831420 1104573615 /nfs/dbraw/zinc/57/36/15/1104573615.db2.gz KIXFVXVGLBDGLP-HYVNUMGLSA-N 0 1 371.506 4.135 20 30 FIEDMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC000328831420 1104573622 /nfs/dbraw/zinc/57/36/22/1104573622.db2.gz KIXFVXVGLBDGLP-HYVNUMGLSA-N 0 1 371.506 4.135 20 30 FIEDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1coc(C2CCCC2)n1 ZINC000328840354 1104575396 /nfs/dbraw/zinc/57/53/96/1104575396.db2.gz ZAKNBEVXMDVTAM-UHFFFAOYSA-N 0 1 354.410 4.093 20 30 FIEDMN C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@H](C2CCOCC2)C1 ZINC000328868563 1104584639 /nfs/dbraw/zinc/58/46/39/1104584639.db2.gz XLTWPVFLURQNQX-ZFWWWQNUSA-N 0 1 359.495 4.021 20 30 FIEDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507802868 1105137180 /nfs/dbraw/zinc/13/71/80/1105137180.db2.gz FESNEBVOXJNKDW-OAHLLOKOSA-N 0 1 351.406 4.071 20 30 FIEDMN CCNc1ccc(C#N)cc1NS(=O)(=O)c1csc2ccccc21 ZINC000507964652 1105282184 /nfs/dbraw/zinc/28/21/84/1105282184.db2.gz KUOSPIREBWEGRO-UHFFFAOYSA-N 0 1 357.460 4.006 20 30 FIEDMN N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000475356783 1106753955 /nfs/dbraw/zinc/75/39/55/1106753955.db2.gz VYLQBFCXHBXJKO-OAQYLSRUSA-N 0 1 364.880 4.204 20 30 FIEDMN C[C@@H](N[C@H](c1ccc(F)c(Cl)c1)C1CC1)C(=O)Nc1ccccc1C#N ZINC000451350503 1107046551 /nfs/dbraw/zinc/04/65/51/1107046551.db2.gz CXAFFNOYTVZGGX-BLVKFPJESA-N 0 1 371.843 4.419 20 30 FIEDMN N#CC1(CCCN2CCCC[C@@H]2c2nc3ccccc3[nH]2)CCOCC1 ZINC000451880960 1107357210 /nfs/dbraw/zinc/35/72/10/1107357210.db2.gz XJQFDLWNAYVTQF-LJQANCHMSA-N 0 1 352.482 4.190 20 30 FIEDMN CCN(CCC#N)C(=O)CN[C@@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000531521964 1107948314 /nfs/dbraw/zinc/94/83/14/1107948314.db2.gz MTXWRQKMOQJVRS-OAQYLSRUSA-N 0 1 369.534 4.313 20 30 FIEDMN C=CCCC(=O)Nc1ccc(CN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000523255181 1108014935 /nfs/dbraw/zinc/01/49/35/1108014935.db2.gz IIFJSNGMLGXSKX-UHFFFAOYSA-N 0 1 363.505 4.222 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000531695517 1108073691 /nfs/dbraw/zinc/07/36/91/1108073691.db2.gz IMPZPVTYIJAHIC-UONOGXRCSA-N 0 1 351.841 4.204 20 30 FIEDMN COc1ccc(CNCc2ccc(C#N)c(OC)c2)c(OC2CCCC2)c1 ZINC000440631124 1108343858 /nfs/dbraw/zinc/34/38/58/1108343858.db2.gz VZNCALOPCXZPPB-UHFFFAOYSA-N 0 1 366.461 4.187 20 30 FIEDMN C=C(CC)CN[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000453340158 1108435941 /nfs/dbraw/zinc/43/59/41/1108435941.db2.gz CBCAPKHTYMKXMG-NRFANRHFSA-N 0 1 357.519 4.352 20 30 FIEDMN N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)o1 ZINC000457341126 1108739080 /nfs/dbraw/zinc/73/90/80/1108739080.db2.gz IKMJFHZHODNEIT-HNNXBMFYSA-N 0 1 354.797 4.048 20 30 FIEDMN N#Cc1csc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000440754822 1108774042 /nfs/dbraw/zinc/77/40/42/1108774042.db2.gz JUVRWKYPRPCVQG-AWEZNQCLSA-N 0 1 356.838 4.127 20 30 FIEDMN COc1cc(CNCc2ccc(Oc3cccnc3)c(F)c2)ccc1C#N ZINC000440821581 1108921315 /nfs/dbraw/zinc/92/13/15/1108921315.db2.gz RGIPGOFRLIBIFA-UHFFFAOYSA-N 0 1 363.392 4.183 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCCC(C)(C)C1 ZINC000446059100 1109098924 /nfs/dbraw/zinc/09/89/24/1109098924.db2.gz DKRUUBDBIUEUGS-INIZCTEOSA-N 0 1 359.539 4.389 20 30 FIEDMN C[C@H](OC[C@@H](O)CN(CCC#N)CC(C)(C)C)c1ccc(Cl)cc1 ZINC000524811537 1109161697 /nfs/dbraw/zinc/16/16/97/1109161697.db2.gz NDKFQWMJALJPPD-YJBOKZPZSA-N 0 1 352.906 4.040 20 30 FIEDMN CCOc1ccc2nc(SCCOc3ccc(C#N)cc3OC)[nH]c2c1 ZINC000524815740 1109162957 /nfs/dbraw/zinc/16/29/57/1109162957.db2.gz CBBHXXZGGZDEJF-UHFFFAOYSA-N 0 1 369.446 4.013 20 30 FIEDMN Cc1ccccc1C1CC(N(CC(=O)NC2(C#N)CCCCC2)C2CC2)C1 ZINC000525127709 1109273029 /nfs/dbraw/zinc/27/30/29/1109273029.db2.gz OENNDDXRXPMVDX-UHFFFAOYSA-N 0 1 365.521 4.048 20 30 FIEDMN C=CCOc1ccc(CNC2(c3cccc(OC)c3F)CCOCC2)cc1 ZINC000446822954 1109350225 /nfs/dbraw/zinc/35/02/25/1109350225.db2.gz ZVIKYVWROVWVQU-UHFFFAOYSA-N 0 1 371.452 4.195 20 30 FIEDMN COCCN(Cc1ccc(C#N)cc1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000508581281 1109406522 /nfs/dbraw/zinc/40/65/22/1109406522.db2.gz VXINJBSMNCQVMH-UHFFFAOYSA-N 0 1 366.358 4.365 20 30 FIEDMN COc1ccc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccccc2OC)cc1 ZINC000447576262 1109592904 /nfs/dbraw/zinc/59/29/04/1109592904.db2.gz XMCOCCJDCIUIGH-CDMIOBSGSA-N 0 1 350.462 4.465 20 30 FIEDMN C=CCOc1ccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1Cl ZINC000508606716 1109705616 /nfs/dbraw/zinc/70/56/16/1109705616.db2.gz YWRAJPJHAVGRSR-UHFFFAOYSA-N 0 1 370.880 4.168 20 30 FIEDMN C=C(Cl)COc1ccc([C@H](C)NC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000527941439 1109865309 /nfs/dbraw/zinc/86/53/09/1109865309.db2.gz ZBQXNZXXQCGUFC-XJKSGUPXSA-N 0 1 373.806 4.469 20 30 FIEDMN CN(Cc1cccc(OCCCC#N)c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000449458099 1110076964 /nfs/dbraw/zinc/07/69/64/1110076964.db2.gz VMCWMGZRPINHLD-FQEVSTJZSA-N 0 1 358.869 4.188 20 30 FIEDMN C=C[C@@H]1OCC[C@H]1NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000449521451 1110097891 /nfs/dbraw/zinc/09/78/91/1110097891.db2.gz RQWFSXCRVYUBDF-CABCVRRESA-N 0 1 354.397 4.262 20 30 FIEDMN COc1ccc(CNCc2ccc(C#N)c(F)c2)cc1OCCC(C)C ZINC000449733727 1110158206 /nfs/dbraw/zinc/15/82/06/1110158206.db2.gz JLHGKIXSAWPFSN-UHFFFAOYSA-N 0 1 356.441 4.421 20 30 FIEDMN CCOc1cc(CNCc2ccc(C#N)c(F)c2)ccc1OCC(C)C ZINC000449734829 1110158877 /nfs/dbraw/zinc/15/88/77/1110158877.db2.gz OMXHSRAVDIFNAQ-UHFFFAOYSA-N 0 1 356.441 4.421 20 30 FIEDMN C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000539289636 1111503985 /nfs/dbraw/zinc/50/39/85/1111503985.db2.gz OWUAOPYLKQOYBO-OAHLLOKOSA-N 0 1 374.419 4.195 20 30 FIEDMN Cn1cc([C@@H](NCC#Cc2ccc(OC(F)(F)F)cc2)C(C)(C)C)cn1 ZINC000539379644 1111544109 /nfs/dbraw/zinc/54/41/09/1111544109.db2.gz ZCIYLLQVQVDNNV-QGZVFWFLSA-N 0 1 365.399 4.047 20 30 FIEDMN N#Cc1ccc(Cl)c(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000552118461 1111583470 /nfs/dbraw/zinc/58/34/70/1111583470.db2.gz IWBVVBUCCGNIDP-UHFFFAOYSA-N 0 1 364.714 4.359 20 30 FIEDMN COc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1Br ZINC000041544007 1111627198 /nfs/dbraw/zinc/62/71/98/1111627198.db2.gz GVNFYMLZELRKQG-NSHDSACASA-N 0 1 371.190 4.089 20 30 FIEDMN Cc1cccc(CN(C)Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000552290705 1111652992 /nfs/dbraw/zinc/65/29/92/1111652992.db2.gz SEKDRRZAPWLBJR-UHFFFAOYSA-N 0 1 357.457 4.473 20 30 FIEDMN Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c4ccccc4nn3C)n2)cc1 ZINC000478075586 1111670942 /nfs/dbraw/zinc/67/09/42/1111670942.db2.gz LMSKZTZTYZMMDA-MRXNPFEDSA-N 0 1 372.453 4.495 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3c4ccccc4nn3C)n2)cc1 ZINC000478075586 1111670945 /nfs/dbraw/zinc/67/09/45/1111670945.db2.gz LMSKZTZTYZMMDA-MRXNPFEDSA-N 0 1 372.453 4.495 20 30 FIEDMN COc1ccc(Cl)cc1-c1n[nH]c(SCC#Cc2ccccc2)n1 ZINC000478549122 1111806973 /nfs/dbraw/zinc/80/69/73/1111806973.db2.gz CBWMCFKWSPLUHE-UHFFFAOYSA-N 0 1 355.850 4.278 20 30 FIEDMN CC[C@@H]1Oc2cc([C@@H](C)NCC#Cc3ccc(Cl)cc3)ccc2NC1=O ZINC000553010255 1111881533 /nfs/dbraw/zinc/88/15/33/1111881533.db2.gz AQTLLMOSKQGFMV-KUHUBIRLSA-N 0 1 368.864 4.152 20 30 FIEDMN N#Cc1cc(Cl)cc(Br)c1N1CC[C@@H](N2CCCCC2)C1 ZINC000553055709 1111895133 /nfs/dbraw/zinc/89/51/33/1111895133.db2.gz XRMQHFCUABFAHP-CQSZACIVSA-N 0 1 368.706 4.039 20 30 FIEDMN Cc1cc(NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc(C#N)n1 ZINC000553145409 1111917658 /nfs/dbraw/zinc/91/76/58/1111917658.db2.gz VVEDPXMJIDBQRV-IFXJQAMLSA-N 0 1 358.848 4.159 20 30 FIEDMN Cc1ccc2nc(NC(=O)c3occc3COc3cccc(C#N)c3)[nH]c2c1 ZINC000553812049 1112097196 /nfs/dbraw/zinc/09/71/96/1112097196.db2.gz MJTDQOFLYFZMHV-UHFFFAOYSA-N 0 1 372.384 4.167 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000554276330 1112286094 /nfs/dbraw/zinc/28/60/94/1112286094.db2.gz PVHTXIUFBMSXOL-PKOBYXMFSA-N 0 1 366.530 4.488 20 30 FIEDMN Cc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)ncc1Br ZINC000600110626 1112884903 /nfs/dbraw/zinc/88/49/03/1112884903.db2.gz BTSFQOFMOVMMDM-UHFFFAOYSA-N 0 1 358.283 4.435 20 30 FIEDMN C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000600196129 1112922117 /nfs/dbraw/zinc/92/21/17/1112922117.db2.gz LKIHVDNGXCGTQT-VQIMIIECSA-N 0 1 354.494 4.041 20 30 FIEDMN C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600196127 1112922176 /nfs/dbraw/zinc/92/21/76/1112922176.db2.gz LKIHVDNGXCGTQT-LPHOPBHVSA-N 0 1 354.494 4.041 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CC(C)(C)Oc4ccccc43)[nH]c21 ZINC000842306253 1112928127 /nfs/dbraw/zinc/92/81/27/1112928127.db2.gz HLUQJPCPFBNWSY-JKSUJKDBSA-N 0 1 359.429 4.393 20 30 FIEDMN N#CC1(c2ccc(CN3CCN(Cc4cc5ccccc5[nH]4)CC3)cc2)CC1 ZINC000600208589 1112929625 /nfs/dbraw/zinc/92/96/25/1112929625.db2.gz NKDHBYRWZNTXLG-UHFFFAOYSA-N 0 1 370.500 4.041 20 30 FIEDMN Cc1nc(C(F)(F)F)ccc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000483206864 1113465764 /nfs/dbraw/zinc/46/57/64/1113465764.db2.gz XWKTYJHKSDSDEG-OAHLLOKOSA-N 0 1 355.319 4.447 20 30 FIEDMN COc1ccccc1CN(Cc1ccc(C#N)c(C)c1)C[C@@H]1CCCO1 ZINC000486792781 1113646608 /nfs/dbraw/zinc/64/66/08/1113646608.db2.gz GNURRFIWHJOPDR-NRFANRHFSA-N 0 1 350.462 4.057 20 30 FIEDMN CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CN2CCC(C#N)CC2)cc1 ZINC000488464857 1113936894 /nfs/dbraw/zinc/93/68/94/1113936894.db2.gz BBYMFTRKLBRJAO-FQEVSTJZSA-N 0 1 372.553 4.376 20 30 FIEDMN C=CCn1cccc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000488545169 1113949843 /nfs/dbraw/zinc/94/98/43/1113949843.db2.gz AXGNIZHXXJMMNO-NRFANRHFSA-N 0 1 356.429 4.070 20 30 FIEDMN CCN(CCc1ccccc1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000488571894 1113952599 /nfs/dbraw/zinc/95/25/99/1113952599.db2.gz UFJIBGJCEJEPGY-OAHLLOKOSA-N 0 1 367.518 4.000 20 30 FIEDMN C#CCCCCCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000911245459 1113959460 /nfs/dbraw/zinc/95/94/60/1113959460.db2.gz AZFXXHHHZOIBKX-HXUWFJFHSA-N 0 1 355.869 4.121 20 30 FIEDMN C=CCCCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC000911253321 1113963313 /nfs/dbraw/zinc/96/33/13/1113963313.db2.gz SZAVNXSJBSAQMM-GOSISDBHSA-N 0 1 374.282 4.003 20 30 FIEDMN N#Cc1ccc(F)c(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000490018311 1114207839 /nfs/dbraw/zinc/20/78/39/1114207839.db2.gz PRLGONIFYPGRHN-HNNXBMFYSA-N 0 1 355.482 4.412 20 30 FIEDMN Fc1cc2[nH]c(=NN=Cc3ccc(Br)cc3F)[nH]c2cc1F ZINC000912825343 1114216013 /nfs/dbraw/zinc/21/60/13/1114216013.db2.gz TWQGAPZFMAUEPT-UHFFFAOYSA-N 0 1 369.144 4.189 20 30 FIEDMN Cc1[nH]ncc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000491052556 1114367520 /nfs/dbraw/zinc/36/75/20/1114367520.db2.gz RICFWGFOFYRKJP-UHFFFAOYSA-N 0 1 352.781 4.288 20 30 FIEDMN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000029781166 1114378109 /nfs/dbraw/zinc/37/81/09/1114378109.db2.gz TVGYMKMSKPQLKU-CYBMUJFWSA-N 0 1 362.433 4.138 20 30 FIEDMN COc1ccc([C@@H](Cc2ccncc2)NCc2ccc(C#N)cc2F)cc1 ZINC000586789848 1114393568 /nfs/dbraw/zinc/39/35/68/1114393568.db2.gz BBXPQMVNNGHWRH-JOCHJYFZSA-N 0 1 361.420 4.175 20 30 FIEDMN N#Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(F)c3Cl)CC2)cc1 ZINC000571028154 1114423964 /nfs/dbraw/zinc/42/39/64/1114423964.db2.gz FKUZGRDPJKILRP-UHFFFAOYSA-N 0 1 357.860 4.059 20 30 FIEDMN N#Cc1ccc(CN2CCCN(Cc3cccc(F)c3Cl)CC2)cc1 ZINC000571028154 1114423967 /nfs/dbraw/zinc/42/39/67/1114423967.db2.gz FKUZGRDPJKILRP-UHFFFAOYSA-N 0 1 357.860 4.059 20 30 FIEDMN CN(CCOCc1ccc(C#N)cc1)Cc1cnc(-c2ccccc2)s1 ZINC000588978850 1114684486 /nfs/dbraw/zinc/68/44/86/1114684486.db2.gz PRKNWVWDISEJTD-UHFFFAOYSA-N 0 1 363.486 4.330 20 30 FIEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2cccc3nc(-c4cccs4)[nH]c32)C1 ZINC000590863299 1114988302 /nfs/dbraw/zinc/98/83/02/1114988302.db2.gz RJRWMLKCFNHXBK-STQMWFEESA-N 0 1 350.447 4.104 20 30 FIEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000590954072 1114996138 /nfs/dbraw/zinc/99/61/38/1114996138.db2.gz GTKQJUIBKOHLQC-QGZVFWFLSA-N 0 1 360.417 4.327 20 30 FIEDMN N#CCn1c(C(O)=C(C#N)c2nc3ccccc3s2)cc2ccccc21 ZINC000591862596 1115165965 /nfs/dbraw/zinc/16/59/65/1115165965.db2.gz XRDMOQGCTGEPAM-AWEZNQCLSA-N 0 1 356.410 4.265 20 30 FIEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000592824360 1115267230 /nfs/dbraw/zinc/26/72/30/1115267230.db2.gz IXMBBFCMUKWFFO-AAEUAGOBSA-N 0 1 363.914 4.113 20 30 FIEDMN CCC(=O)Nc1cccc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000592973387 1115272120 /nfs/dbraw/zinc/27/21/20/1115272120.db2.gz FHJDADRAMISDCV-AWEZNQCLSA-N 0 1 367.405 4.274 20 30 FIEDMN CC(C)(C)Oc1ccccc1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593203526 1115306094 /nfs/dbraw/zinc/30/60/94/1115306094.db2.gz MIVZOFQNRVGQCV-UHFFFAOYSA-N 0 1 372.490 4.466 20 30 FIEDMN N#CCCCCC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000593967661 1115364240 /nfs/dbraw/zinc/36/42/40/1115364240.db2.gz ZESKKDXSROHYKZ-UHFFFAOYSA-N 0 1 350.397 4.315 20 30 FIEDMN CCCCCOc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1OC ZINC000593970952 1115364554 /nfs/dbraw/zinc/36/45/54/1115364554.db2.gz AFQLKJLSNNYTSZ-INIZCTEOSA-N 0 1 353.466 4.382 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4ncc5c(c4C#N)CCC5)C3)[nH]c2c1 ZINC000574448023 1115383642 /nfs/dbraw/zinc/38/36/42/1115383642.db2.gz ZHTCMBVRUBLCIX-INIZCTEOSA-N 0 1 357.461 4.011 20 30 FIEDMN Cc1nn(-c2cccc(F)c2)cc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594519228 1115459094 /nfs/dbraw/zinc/45/90/94/1115459094.db2.gz VSWZPRVYVIJLFH-UHFFFAOYSA-N 0 1 360.436 4.361 20 30 FIEDMN COc1ccc(-c2cc(CNCc3ccc(C(C)(C)C#N)cc3)on2)cc1 ZINC000594974012 1115500103 /nfs/dbraw/zinc/50/01/03/1115500103.db2.gz IUUXFFPRWIFSBY-UHFFFAOYSA-N 0 1 361.445 4.441 20 30 FIEDMN COc1ccccc1-c1cc(CNCc2ccc(C(C)(C)C#N)cc2)on1 ZINC000595006560 1115507305 /nfs/dbraw/zinc/50/73/05/1115507305.db2.gz KMRUBBIALPXLQN-UHFFFAOYSA-N 0 1 361.445 4.441 20 30 FIEDMN COc1ccc(-c2cc(CN[C@@H]3CCCc4cc(C#N)ccc43)on2)cc1 ZINC000595077784 1115516895 /nfs/dbraw/zinc/51/68/95/1115516895.db2.gz WUSFYQLENFFXPD-OAQYLSRUSA-N 0 1 359.429 4.389 20 30 FIEDMN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000168559923 1115518025 /nfs/dbraw/zinc/51/80/25/1115518025.db2.gz OUXDPASTWHVEAG-CABCVRRESA-N 0 1 357.425 4.267 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@H](c2ccccc2F)C(C)C)c(C#N)c1C ZINC000595685212 1115554225 /nfs/dbraw/zinc/55/42/25/1115554225.db2.gz FMVHFIBGMYLHLN-ACJLOTCBSA-N 0 1 357.429 4.221 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c(Br)c1 ZINC000595789320 1115563538 /nfs/dbraw/zinc/56/35/38/1115563538.db2.gz QUMIQXFSWYZSLM-WMZOPIPTSA-N 0 1 363.299 4.102 20 30 FIEDMN C=C(Br)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000059928467 1115573063 /nfs/dbraw/zinc/57/30/63/1115573063.db2.gz QUIBHSHQFVHAAV-UHFFFAOYSA-N 0 1 360.664 4.134 20 30 FIEDMN CN1CC[C@H](Nc2nc3ncccc3cc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000596178104 1115578783 /nfs/dbraw/zinc/57/87/83/1115578783.db2.gz IBZSZBNYLKNJMG-ROUUACIJSA-N 0 1 363.852 4.012 20 30 FIEDMN CC(C)c1nnc(-c2ccccc2NC(=O)CC2(C#N)CCCCC2)[nH]1 ZINC000596887687 1115622400 /nfs/dbraw/zinc/62/24/00/1115622400.db2.gz HLGSPAZCFSOBGM-UHFFFAOYSA-N 0 1 351.454 4.398 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCC3(C#N)CCCCC3)[nH]c2c1 ZINC000596860991 1115624267 /nfs/dbraw/zinc/62/42/67/1115624267.db2.gz ARNGPQVDMNDESE-SFHVURJKSA-N 0 1 365.481 4.192 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCC3(C#N)CCCCC3)[nH]c2c1 ZINC000596860990 1115624359 /nfs/dbraw/zinc/62/43/59/1115624359.db2.gz ARNGPQVDMNDESE-GOSISDBHSA-N 0 1 365.481 4.192 20 30 FIEDMN N#CC1(c2ccc(CN3CCN(c4nccc5sccc54)CC3)cc2)CC1 ZINC000597132279 1115642908 /nfs/dbraw/zinc/64/29/08/1115642908.db2.gz FQZXAIJBAOJWBH-UHFFFAOYSA-N 0 1 374.513 4.174 20 30 FIEDMN CCCCCc1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n[nH]1 ZINC000597323485 1115659051 /nfs/dbraw/zinc/65/90/51/1115659051.db2.gz ZPTNBZWRYXOEKT-ICSRJNTNSA-N 0 1 350.466 4.054 20 30 FIEDMN CC(C)CN1Cc2cccc(NC(=O)c3cc(F)c(C#N)c(F)c3)c2C1 ZINC000597412654 1115663651 /nfs/dbraw/zinc/66/36/51/1115663651.db2.gz GMJZZKAVESQBMC-UHFFFAOYSA-N 0 1 355.388 4.060 20 30 FIEDMN CC(C)(C)CCCCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593347868 1115664187 /nfs/dbraw/zinc/66/41/87/1115664187.db2.gz HNTJLPQOOPREOJ-UHFFFAOYSA-N 0 1 355.526 4.245 20 30 FIEDMN CC1(C)CCCC[C@@H]1CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593352924 1115665604 /nfs/dbraw/zinc/66/56/04/1115665604.db2.gz HSBLCFUNEVLULB-HXUWFJFHSA-N 0 1 367.537 4.245 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3cncc(-c4ccccc4)n3)CC2)c1 ZINC000593515764 1115710782 /nfs/dbraw/zinc/71/07/82/1115710782.db2.gz SHGKXTUSWJPFEM-UHFFFAOYSA-N 0 1 369.472 4.092 20 30 FIEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H]1c1cccs1 ZINC000598703164 1115745991 /nfs/dbraw/zinc/74/59/91/1115745991.db2.gz QCMZKHUGCAVNDL-ZEVUXNIQSA-N 0 1 359.539 4.204 20 30 FIEDMN COc1cccc([C@H](NC[C@H](O)CC(C)(C)C#N)c2ccccc2Cl)c1 ZINC000598720084 1115747909 /nfs/dbraw/zinc/74/79/09/1115747909.db2.gz MCDLCFBVRJXPNC-UZLBHIALSA-N 0 1 372.896 4.328 20 30 FIEDMN CCCC[C@@H](C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)C(C)C ZINC000598829579 1115758832 /nfs/dbraw/zinc/75/88/32/1115758832.db2.gz ZJKOWUNOVZRBFV-HXUWFJFHSA-N 0 1 355.526 4.123 20 30 FIEDMN COc1cc(CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)ccc1C#N ZINC000599017247 1115779291 /nfs/dbraw/zinc/77/92/91/1115779291.db2.gz ZVDBTPWVMLBZLR-KRWDZBQOSA-N 0 1 365.260 4.087 20 30 FIEDMN CN(C)[C@H](CNc1c(C#N)cnc2c(F)ccc(Cl)c21)c1ccsc1 ZINC000603847759 1115820678 /nfs/dbraw/zinc/82/06/78/1115820678.db2.gz QMFCPNRLQXSCGI-OAHLLOKOSA-N 0 1 374.872 4.097 20 30 FIEDMN N#Cc1cc(CN2CC[C@H](Sc3ccc(Br)cc3)C2)ccn1 ZINC000599525859 1115822464 /nfs/dbraw/zinc/82/24/64/1115822464.db2.gz AMOCGLCNGUXNDA-KRWDZBQOSA-N 0 1 374.307 4.082 20 30 FIEDMN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1Cc1ccncc1C#N ZINC000599653323 1115835829 /nfs/dbraw/zinc/83/58/29/1115835829.db2.gz UPPHNCHLFREEKW-CJNGLKHVSA-N 0 1 356.267 4.094 20 30 FIEDMN N#CCc1cccc2c1CC[N@@H+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000599679848 1115837800 /nfs/dbraw/zinc/83/78/00/1115837800.db2.gz YNMIVQZMCZFCKL-UHFFFAOYSA-N 0 1 369.468 4.285 20 30 FIEDMN N#CCc1cccc2c1CCN(Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000599679848 1115837801 /nfs/dbraw/zinc/83/78/01/1115837801.db2.gz YNMIVQZMCZFCKL-UHFFFAOYSA-N 0 1 369.468 4.285 20 30 FIEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccoc2)n1 ZINC000171776760 1115874826 /nfs/dbraw/zinc/87/48/26/1115874826.db2.gz SCIGSJICNSJGCP-CYBMUJFWSA-N 0 1 371.805 4.018 20 30 FIEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000605403013 1115894232 /nfs/dbraw/zinc/89/42/32/1115894232.db2.gz PTGFNVKCSHKJSR-UHFFFAOYSA-N 0 1 373.456 4.084 20 30 FIEDMN N#CCOc1ccc(CNCc2ccc(-c3c(F)cccc3F)o2)cc1 ZINC000172037410 1115909609 /nfs/dbraw/zinc/90/96/09/1115909609.db2.gz VAXQFEAXSWBGGN-UHFFFAOYSA-N 0 1 354.356 4.417 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H](C)Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000593973792 1115941869 /nfs/dbraw/zinc/94/18/69/1115941869.db2.gz WMFOIQNVTZCFMD-HRAATJIYSA-N 0 1 372.472 4.285 20 30 FIEDMN COC(=O)c1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1Cl ZINC001168423223 1116043699 /nfs/dbraw/zinc/04/36/99/1116043699.db2.gz FJZFSBUBFGHWDF-UHFFFAOYSA-N 0 1 354.837 4.163 20 30 FIEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cnc(CCC)s2)cc1 ZINC000173969911 1116102330 /nfs/dbraw/zinc/10/23/30/1116102330.db2.gz QXIGFSIFRGDTOK-MRXNPFEDSA-N 0 1 369.490 4.399 20 30 FIEDMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 ZINC000608812289 1116129878 /nfs/dbraw/zinc/12/98/78/1116129878.db2.gz LEMDEZKGMIVOEU-UHFFFAOYSA-N 0 1 369.384 4.183 20 30 FIEDMN C=CCCO[C@@H](C)C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457362601 1116270110 /nfs/dbraw/zinc/27/01/10/1116270110.db2.gz LHYKMYRNOQXREE-GUYCJALGSA-N 0 1 361.873 4.251 20 30 FIEDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ccc(CC#N)cc3)n2)cc1 ZINC000535338403 1116296584 /nfs/dbraw/zinc/29/65/84/1116296584.db2.gz TVZQCGNXUWCJOP-UHFFFAOYSA-N 0 1 359.433 4.088 20 30 FIEDMN C[C@H](C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cccc(C#N)c1 ZINC000462250873 1116333963 /nfs/dbraw/zinc/33/39/63/1116333963.db2.gz CBAKUZBUOJZXLZ-JTQLQIEISA-N 0 1 358.323 4.196 20 30 FIEDMN CCOc1ccccc1-c1cccc(C(=O)N=c2[nH]n(C(C)C)cc2C#N)c1 ZINC000540106660 1117877764 /nfs/dbraw/zinc/87/77/64/1117877764.db2.gz POVUTOBIVZDMGB-UHFFFAOYSA-N 0 1 374.444 4.076 20 30 FIEDMN C=CCCC[C@H](C)NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000540621746 1118146122 /nfs/dbraw/zinc/14/61/22/1118146122.db2.gz MFINNKXFYWNZKI-HNNXBMFYSA-N 0 1 357.523 4.262 20 30 FIEDMN CCOc1cc2c(cc1CN[C@@H](C)c1ccc(C#N)c(F)c1)O[C@@H](C)C2 ZINC000540701980 1118192666 /nfs/dbraw/zinc/19/26/66/1118192666.db2.gz NTBUYSJAIJPIPX-KBPBESRZSA-N 0 1 354.425 4.270 20 30 FIEDMN C[C@@H](N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(C#N)cc1 ZINC000540918504 1118315371 /nfs/dbraw/zinc/31/53/71/1118315371.db2.gz KURGHOMPRXRTEI-XIKOKIGWSA-N 0 1 374.271 4.321 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cnn(CC(C)C)c3)n2)cc1 ZINC000541021701 1118357120 /nfs/dbraw/zinc/35/71/20/1118357120.db2.gz XUSXIPAJFOHHKN-QGZVFWFLSA-N 0 1 364.474 4.461 20 30 FIEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000541247794 1118446008 /nfs/dbraw/zinc/44/60/08/1118446008.db2.gz QBEDKRBMQVNQGU-INIZCTEOSA-N 0 1 365.399 4.304 20 30 FIEDMN COc1cc(Br)ccc1CCCN(C[C@@H](C)C#N)C1CC1 ZINC000541277579 1118448865 /nfs/dbraw/zinc/44/88/65/1118448865.db2.gz HOLXLGKCFLFCAL-ZDUSSCGKSA-N 0 1 351.288 4.014 20 30 FIEDMN Cc1cc(C)c(NC(=O)CNC(C)(C)c2cccc(C#N)c2)c(Cl)c1 ZINC000595635887 1118472816 /nfs/dbraw/zinc/47/28/16/1118472816.db2.gz OEIHKXQFWJQJET-UHFFFAOYSA-N 0 1 355.869 4.292 20 30 FIEDMN N#CC(C(=O)c1cncc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 ZINC000464413577 1118547886 /nfs/dbraw/zinc/54/78/86/1118547886.db2.gz ZHQVDIXAMVVYPS-LLVKDONJSA-N 0 1 359.229 4.004 20 30 FIEDMN COc1ccc(Cl)cc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464414431 1118547926 /nfs/dbraw/zinc/54/79/26/1118547926.db2.gz KJVCMZWRFXTPOI-GFCCVEGCSA-N 0 1 354.715 4.252 20 30 FIEDMN N#CC(C(=O)c1cncc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 ZINC000464413583 1118547945 /nfs/dbraw/zinc/54/79/45/1118547945.db2.gz ZHQVDIXAMVVYPS-NSHDSACASA-N 0 1 359.229 4.004 20 30 FIEDMN Cc1cc([C@@H](NCCOc2ccc(C#N)cc2)c2cccnc2)ccc1F ZINC000541565011 1118556626 /nfs/dbraw/zinc/55/66/26/1118556626.db2.gz JLYRGGQNNWRNHH-JOCHJYFZSA-N 0 1 361.420 4.159 20 30 FIEDMN N#Cc1ccc(CN(CCO[C@@H]2CCCCO2)Cc2cccc(F)c2)cc1 ZINC000541587118 1118577101 /nfs/dbraw/zinc/57/71/01/1118577101.db2.gz SAUXLVFSFOATAZ-JOCHJYFZSA-N 0 1 368.452 4.243 20 30 FIEDMN CCCN(CCc1cccs1)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000464588222 1118618138 /nfs/dbraw/zinc/61/81/38/1118618138.db2.gz NMONDPDWURYQSJ-UHFFFAOYSA-N 0 1 361.536 4.191 20 30 FIEDMN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000464766729 1118687054 /nfs/dbraw/zinc/68/70/54/1118687054.db2.gz DNTWTRDVGDLGPY-HXOBKFHXSA-N 0 1 361.489 4.155 20 30 FIEDMN N#CCC1CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000541948163 1118717959 /nfs/dbraw/zinc/71/79/59/1118717959.db2.gz HGIKEOVQHPFPMA-FQEVSTJZSA-N 0 1 358.445 4.452 20 30 FIEDMN Cc1ccc([C@@H](CC(=O)OC(C)C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000542135313 1118810744 /nfs/dbraw/zinc/81/07/44/1118810744.db2.gz XDALFJFFHDTLDJ-HXUWFJFHSA-N 0 1 354.425 4.178 20 30 FIEDMN C[C@@H]1c2ccccc2CN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000542135640 1118810781 /nfs/dbraw/zinc/81/07/81/1118810781.db2.gz RJBKKCSWYNSTOB-CYBMUJFWSA-N 0 1 351.475 4.014 20 30 FIEDMN Cc1cc(C)cc([C@H]2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)C2)c1 ZINC000542322699 1118904882 /nfs/dbraw/zinc/90/48/82/1118904882.db2.gz WHCMKVKGINWVIN-IBGZPJMESA-N 0 1 358.445 4.215 20 30 FIEDMN COc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)cc(OC)c1OC ZINC000271957235 1119031142 /nfs/dbraw/zinc/03/11/42/1119031142.db2.gz SJRZRQJBIVYKIL-STQMWFEESA-N 0 1 358.413 4.135 20 30 FIEDMN COc1cc([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)cc(OC)c1OC ZINC000271957230 1119033084 /nfs/dbraw/zinc/03/30/84/1119033084.db2.gz SJRZRQJBIVYKIL-OLZOCXBDSA-N 0 1 358.413 4.135 20 30 FIEDMN C[C@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(C#N)c(F)c1 ZINC000271984446 1119071081 /nfs/dbraw/zinc/07/10/81/1119071081.db2.gz ZSWIBZUHOAHHKV-INIZCTEOSA-N 0 1 352.457 4.179 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC(Cc3cccnc3)CC2)c1 ZINC000492751556 1119178947 /nfs/dbraw/zinc/17/89/47/1119178947.db2.gz SXXJVZNIHXDBKY-UHFFFAOYSA-N 0 1 370.294 4.170 20 30 FIEDMN CCS[C@H]1CC[C@@H](N(C)Cc2cc(C#N)ccc2Br)C1 ZINC000492765799 1119182902 /nfs/dbraw/zinc/18/29/02/1119182902.db2.gz FERYVJGKFDTMJS-CABCVRRESA-N 0 1 353.329 4.427 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)n1 ZINC000177751133 1119349721 /nfs/dbraw/zinc/34/97/21/1119349721.db2.gz JBOMVXPAFMHVCB-JQWIXIFHSA-N 0 1 371.487 4.189 20 30 FIEDMN COc1cccc(C(=O)C(C#N)c2nc(C(C)C)cs2)c1OC(F)F ZINC000177772195 1119350511 /nfs/dbraw/zinc/35/05/11/1119350511.db2.gz ZUHQKVRVOFAOSO-LLVKDONJSA-N 0 1 366.389 4.367 20 30 FIEDMN COc1cccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1OC(F)F ZINC000177772195 1119350514 /nfs/dbraw/zinc/35/05/14/1119350514.db2.gz ZUHQKVRVOFAOSO-LLVKDONJSA-N 0 1 366.389 4.367 20 30 FIEDMN C=C(C)CN1CCC(NC(=O)CCC(=O)c2csc3ccccc23)CC1 ZINC000087318168 1119445268 /nfs/dbraw/zinc/44/52/68/1119445268.db2.gz HLNMASOMXMGICP-UHFFFAOYSA-N 0 1 370.518 4.021 20 30 FIEDMN C=CC[C@@H](C)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000494028823 1119527440 /nfs/dbraw/zinc/52/74/40/1119527440.db2.gz NGZXPTFJWXTUIV-BFUOFWGJSA-N 0 1 365.445 4.012 20 30 FIEDMN CCCN(CC)c1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000183128762 1119566397 /nfs/dbraw/zinc/56/63/97/1119566397.db2.gz CLDVNHXUOABSCY-OAHLLOKOSA-N 0 1 356.495 4.388 20 30 FIEDMN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000494516659 1119885308 /nfs/dbraw/zinc/88/53/08/1119885308.db2.gz VLWGQZPSWKXLHZ-JTQLQIEISA-N 0 1 367.302 4.475 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(C#N)cc1OC ZINC000191567709 1119984652 /nfs/dbraw/zinc/98/46/52/1119984652.db2.gz NPUNAPWZKBXCDI-UHFFFAOYSA-N 0 1 370.474 4.220 20 30 FIEDMN Cn1cc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000193664980 1120172921 /nfs/dbraw/zinc/17/29/21/1120172921.db2.gz SWRRITDBOIFAMY-CQSZACIVSA-N 0 1 366.833 4.164 20 30 FIEDMN Cn1cc(Cl)cc1C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000193664980 1120172926 /nfs/dbraw/zinc/17/29/26/1120172926.db2.gz SWRRITDBOIFAMY-CQSZACIVSA-N 0 1 366.833 4.164 20 30 FIEDMN N#CC(C(=O)c1ccc(OCc2ccccc2)nc1)c1nc2ccccc2o1 ZINC000194681395 1120292447 /nfs/dbraw/zinc/29/24/47/1120292447.db2.gz ISLSDPKJAHWUSY-KRWDZBQOSA-N 0 1 369.380 4.292 20 30 FIEDMN CCN(CC)C(=O)Nc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000914772459 1120530140 /nfs/dbraw/zinc/53/01/40/1120530140.db2.gz YDLIOQDGFOJJCJ-UHFFFAOYSA-N 0 1 369.425 4.305 20 30 FIEDMN CCN(CC)C(=O)Nc1ccc(C(C)=NN=c2[nH]c3ccccc3[nH]2)cc1 ZINC000914772411 1120530251 /nfs/dbraw/zinc/53/02/51/1120530251.db2.gz URCOAZBWKNKGHN-UHFFFAOYSA-N 0 1 364.453 4.273 20 30 FIEDMN COc1cccc(O)c1/C=N/C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000915113317 1120820611 /nfs/dbraw/zinc/82/06/11/1120820611.db2.gz UNJSONBUIDJWOJ-ZFJBLLOBSA-N 0 1 358.869 4.310 20 30 FIEDMN COc1cccc(O)c1/C=N\C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000915113316 1120820894 /nfs/dbraw/zinc/82/08/94/1120820894.db2.gz UNJSONBUIDJWOJ-QLTNSANVSA-N 0 1 358.869 4.310 20 30 FIEDMN CCc1ccc([C@H](C)NCc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000915215589 1120871837 /nfs/dbraw/zinc/87/18/37/1120871837.db2.gz YTIULYCJYGIIJO-KXBFYZLASA-N 0 1 370.456 4.137 20 30 FIEDMN CC(=Cc1ccc(OCc2ccc(C)cc2)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193608603 1120981278 /nfs/dbraw/zinc/98/12/78/1120981278.db2.gz PVQMJOWIZPTMAY-VBKFSLOCSA-N 0 1 371.440 4.398 20 30 FIEDMN CC(=Cc1cccc(OCc2ccccc2)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193615063 1120986045 /nfs/dbraw/zinc/98/60/45/1120986045.db2.gz BEXGQJICRGVSMP-RVDMUPIBSA-N 0 1 357.413 4.090 20 30 FIEDMN N#Cc1ccc(OCCCSc2nc(C=Cc3ccccc3)n[nH]2)cc1 ZINC000915795500 1121060800 /nfs/dbraw/zinc/06/08/00/1121060800.db2.gz NUVHCGKMLAGMOC-XFXZXTDPSA-N 0 1 362.458 4.408 20 30 FIEDMN N#Cc1cccc(CN[C@@H]2CCCOc3cc(Br)ccc32)c1 ZINC000193872025 1121159416 /nfs/dbraw/zinc/15/94/16/1121159416.db2.gz QNWPSHLUEKKDQY-QGZVFWFLSA-N 0 1 357.251 4.324 20 30 FIEDMN c1sc(N=NC2CCN(Cc3ccccn3)CC2)nc1-c1ccccc1 ZINC000915955273 1121352984 /nfs/dbraw/zinc/35/29/84/1121352984.db2.gz CETUFYSWQGDJNP-UHFFFAOYSA-N 0 1 363.490 4.269 20 30 FIEDMN Oc1c(Cl)cc(Cl)cc1/C=N/C1CCN(c2ccccn2)CC1 ZINC000915979196 1121360507 /nfs/dbraw/zinc/36/05/07/1121360507.db2.gz MJLUGIGURQYHAY-SRZZPIQSSA-N 0 1 350.249 4.182 20 30 FIEDMN O=C(/C=C\c1ccc2ccccc2c1)c1ccc(O)c(CN2CCOCC2)c1 ZINC000916129966 1121418973 /nfs/dbraw/zinc/41/89/73/1121418973.db2.gz DJCMRVGTZSLYST-TWGQIWQCSA-N 0 1 373.452 4.274 20 30 FIEDMN Cc1nn(-c2ccc(Br)cc2)cc1CN=Nc1cc(C)ccn1 ZINC000763358787 1121424475 /nfs/dbraw/zinc/42/44/75/1121424475.db2.gz XHFPVRSGVGJTDK-UHFFFAOYSA-N 0 1 370.254 4.093 20 30 FIEDMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1C[C@@H]1CCCO1 ZINC000916246806 1121455818 /nfs/dbraw/zinc/45/58/18/1121455818.db2.gz RVCPWIVFNIOEBN-INIZCTEOSA-N 0 1 354.479 4.340 20 30 FIEDMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1C[C@@H]1CCCO1 ZINC000916246806 1121455824 /nfs/dbraw/zinc/45/58/24/1121455824.db2.gz RVCPWIVFNIOEBN-INIZCTEOSA-N 0 1 354.479 4.340 20 30 FIEDMN COc1ccc([C@@H](CNc2ncc(C#N)cc2Cl)N2CCCCC2)cc1 ZINC000060372160 1121470268 /nfs/dbraw/zinc/47/02/68/1121470268.db2.gz HWAXVTFQELDGAB-LJQANCHMSA-N 0 1 370.884 4.254 20 30 FIEDMN O=C(c1ccc(Br)cc1O)N(O)Cc1cccc2ccccc21 ZINC001649069861 1121542240 /nfs/dbraw/zinc/54/22/40/1121542240.db2.gz KILUTCQFGXDKQQ-UHFFFAOYSA-N 0 1 372.218 4.340 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000916627394 1121565504 /nfs/dbraw/zinc/56/55/04/1121565504.db2.gz RCOKBFKGNZLNHP-CQSZACIVSA-N 0 1 357.335 4.011 20 30 FIEDMN CCC(=NNc1ccccc1S(C)(=O)=O)c1cccc(Cl)c1F ZINC000763407638 1121577498 /nfs/dbraw/zinc/57/74/98/1121577498.db2.gz YJUWPMPWDYXASR-UHFFFAOYSA-N 0 1 354.834 4.109 20 30 FIEDMN C=CCN(CCC(=O)Nc1ccccc1Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000063288162 1121675048 /nfs/dbraw/zinc/67/50/48/1121675048.db2.gz AHDISFRKCIGOGA-UHFFFAOYSA-N 0 1 373.840 4.265 20 30 FIEDMN N#CC(C(=O)CSCc1ccc(F)cc1)c1ccc2ccccc2n1 ZINC000916849736 1121873826 /nfs/dbraw/zinc/87/38/26/1121873826.db2.gz ZKXNFJFFFDAYRR-QGZVFWFLSA-N 0 1 350.418 4.484 20 30 FIEDMN Cc1cccc(NC(=O)C(C#N)C(=O)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000916897955 1121913211 /nfs/dbraw/zinc/91/32/11/1121913211.db2.gz SGZCSNDVWWDYOA-PQGQHUGISA-N 0 1 350.462 4.249 20 30 FIEDMN N#CC(C(=O)C1=Cc2ccccc2OC1)c1nc2ccccc2n1C(F)F ZINC000917039858 1122012704 /nfs/dbraw/zinc/01/27/04/1122012704.db2.gz FXBGGIVKHHRVGT-AWEZNQCLSA-N 0 1 365.339 4.084 20 30 FIEDMN C=CCN(CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(C)C ZINC000917070525 1122076617 /nfs/dbraw/zinc/07/66/17/1122076617.db2.gz CZFNAOUCTVVYLY-NRFANRHFSA-N 0 1 356.897 4.442 20 30 FIEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101481 1122129254 /nfs/dbraw/zinc/12/92/54/1122129254.db2.gz CLXFLDQUCMLBFR-UHFFFAOYSA-N 0 1 358.445 4.310 20 30 FIEDMN CO[C@@H](C(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CC1 ZINC000796649868 1122178557 /nfs/dbraw/zinc/17/85/57/1122178557.db2.gz KDJJNZKQFLFORR-OZKQYXIVSA-N 0 1 370.518 4.212 20 30 FIEDMN C=C[C@H](CC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000128114938 1122192467 /nfs/dbraw/zinc/19/24/67/1122192467.db2.gz YGJJAARBLZKXCH-XLIONFOSSA-N 0 1 372.472 4.495 20 30 FIEDMN C=C[C@H](CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000128114938 1122192473 /nfs/dbraw/zinc/19/24/73/1122192473.db2.gz YGJJAARBLZKXCH-XLIONFOSSA-N 0 1 372.472 4.495 20 30 FIEDMN C=C[C@H](CC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000128114457 1122192539 /nfs/dbraw/zinc/19/25/39/1122192539.db2.gz YGJJAARBLZKXCH-YLJYHZDGSA-N 0 1 372.472 4.495 20 30 FIEDMN C=C[C@H](CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000128114457 1122192545 /nfs/dbraw/zinc/19/25/45/1122192545.db2.gz YGJJAARBLZKXCH-YLJYHZDGSA-N 0 1 372.472 4.495 20 30 FIEDMN C=C[C@@H](CC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000128114715 1122192719 /nfs/dbraw/zinc/19/27/19/1122192719.db2.gz YGJJAARBLZKXCH-PXNSSMCTSA-N 0 1 372.472 4.495 20 30 FIEDMN C=C[C@@H](CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000128114715 1122192725 /nfs/dbraw/zinc/19/27/25/1122192725.db2.gz YGJJAARBLZKXCH-PXNSSMCTSA-N 0 1 372.472 4.495 20 30 FIEDMN CCN(CC(=O)N[C@H](c1ccccc1)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617757 1122318651 /nfs/dbraw/zinc/31/86/51/1122318651.db2.gz AVLDLUSMYVSBDS-GAJHUEQPSA-N 0 1 361.489 4.209 20 30 FIEDMN C=CC[N@@H+](Cc1cccs1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000497618213 1122319275 /nfs/dbraw/zinc/31/92/75/1122319275.db2.gz FKVXXPJVHZRDNH-CQSZACIVSA-N 0 1 372.317 4.483 20 30 FIEDMN C=CCN(Cc1cccs1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000497618213 1122319282 /nfs/dbraw/zinc/31/92/82/1122319282.db2.gz FKVXXPJVHZRDNH-CQSZACIVSA-N 0 1 372.317 4.483 20 30 FIEDMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNc1ccccc1[N+](=O)[O-] ZINC000917530934 1122350711 /nfs/dbraw/zinc/35/07/11/1122350711.db2.gz JRLCVBKPNVCJOM-UHFFFAOYSA-N 0 1 369.812 4.497 20 30 FIEDMN Cc1ncc(C=NNc2nnc(-c3ccccc3)n2-c2ccccc2)s1 ZINC000917548408 1122357463 /nfs/dbraw/zinc/35/74/63/1122357463.db2.gz OJSOBONEXFTLBV-UHFFFAOYSA-N 0 1 360.446 4.145 20 30 FIEDMN CN(C)Cc1ccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000129121369 1122538435 /nfs/dbraw/zinc/53/84/35/1122538435.db2.gz JKFVHJFJNINVRO-UHFFFAOYSA-N 0 1 368.456 4.010 20 30 FIEDMN Cc1[nH]ncc1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000649228032 1123298746 /nfs/dbraw/zinc/29/87/46/1123298746.db2.gz XZIPMZCPENVMKP-UHFFFAOYSA-N 0 1 369.240 4.260 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCC[C@@H]2C)cc1Cl ZINC000920792383 1123520216 /nfs/dbraw/zinc/52/02/16/1123520216.db2.gz PQTINXOYCWPJML-KCQAQPDRSA-N 0 1 362.857 4.212 20 30 FIEDMN CC(C)CO[C@@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000920805100 1123522531 /nfs/dbraw/zinc/52/25/31/1123522531.db2.gz GZMDDUWOFKRUPB-RYUDHWBXSA-N 0 1 364.417 4.326 20 30 FIEDMN COc1cccc(Cl)c1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000609826107 1123850778 /nfs/dbraw/zinc/85/07/78/1123850778.db2.gz RXDNOGPJLRDYEK-OAHLLOKOSA-N 0 1 373.859 4.118 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cncn2-c2ccc(F)cc2)n1 ZINC000080456608 1123966416 /nfs/dbraw/zinc/96/64/16/1123966416.db2.gz LENVEWPWNTZDAA-AWEZNQCLSA-N 0 1 354.410 4.081 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000237598292 1123993877 /nfs/dbraw/zinc/99/38/77/1123993877.db2.gz NFKJYMVZFDRCEX-MRXNPFEDSA-N 0 1 360.461 4.070 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccc(Br)s2)cc1 ZINC000179696047 1124027630 /nfs/dbraw/zinc/02/76/30/1124027630.db2.gz HJHKXOASNMVMCG-LBPRGKRZSA-N 0 1 365.296 4.433 20 30 FIEDMN N#CCCCOc1cccc(CNCc2ccc(OC3CCCC3)nc2)c1 ZINC000237824267 1124118328 /nfs/dbraw/zinc/11/83/28/1124118328.db2.gz FRMCPWGZYPJHJT-UHFFFAOYSA-N 0 1 365.477 4.375 20 30 FIEDMN N#Cc1cc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c2ccccc2n1 ZINC000301986808 1124275360 /nfs/dbraw/zinc/27/53/60/1124275360.db2.gz ZNDHJJSJKCCUFO-LJQANCHMSA-N 0 1 366.428 4.233 20 30 FIEDMN N#Cc1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c2ccccc2n1 ZINC000301986808 1124275362 /nfs/dbraw/zinc/27/53/62/1124275362.db2.gz ZNDHJJSJKCCUFO-LJQANCHMSA-N 0 1 366.428 4.233 20 30 FIEDMN CC(C)N1CC[C@@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302066499 1124281994 /nfs/dbraw/zinc/28/19/94/1124281994.db2.gz ULPHKCKMHNPTRA-IEBWSBKVSA-N 0 1 358.848 4.382 20 30 FIEDMN COc1ccc([C@H](CNc2cc(C#N)ccc2C(C)=O)N2CCCC2)cc1 ZINC000302099684 1124283798 /nfs/dbraw/zinc/28/37/98/1124283798.db2.gz KXQPKKFMJITQPB-QFIPXVFZSA-N 0 1 363.461 4.018 20 30 FIEDMN COc1ccccc1[C@@H](CNc1cc(C(C)=O)ccc1C#N)N1CCCC1 ZINC000302096665 1124283846 /nfs/dbraw/zinc/28/38/46/1124283846.db2.gz JMNTWGOAXDUCCV-OAQYLSRUSA-N 0 1 363.461 4.018 20 30 FIEDMN CCS[C@H]1CC[C@H](N(C)Cc2ccc(Br)cc2C#N)C1 ZINC000554238994 1124311729 /nfs/dbraw/zinc/31/17/29/1124311729.db2.gz ZCZSYUFRXZYIFP-HOTGVXAUSA-N 0 1 353.329 4.427 20 30 FIEDMN Cc1c(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cnn1C1CCCCC1 ZINC000542834937 1124426003 /nfs/dbraw/zinc/42/60/03/1124426003.db2.gz BRXZCMCQWYOGDA-INIZCTEOSA-N 0 1 361.449 4.372 20 30 FIEDMN CC(=O)Nc1cccc([C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000090180619 1124987870 /nfs/dbraw/zinc/98/78/70/1124987870.db2.gz BNOGDMLZCXOWGN-CQSZACIVSA-N 0 1 360.379 4.366 20 30 FIEDMN Cc1nc2c(cccc2C(=O)C(C#N)c2nc3ccccc3n2C(F)F)o1 ZINC000672581873 1125188923 /nfs/dbraw/zinc/18/89/23/1125188923.db2.gz MBBNKAYSRZGNMG-LBPRGKRZSA-N 0 1 366.327 4.371 20 30 FIEDMN Cc1nc2c(cccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)o1 ZINC000672581873 1125188927 /nfs/dbraw/zinc/18/89/27/1125188927.db2.gz MBBNKAYSRZGNMG-LBPRGKRZSA-N 0 1 366.327 4.371 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@H](N[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000618570110 1125208604 /nfs/dbraw/zinc/20/86/04/1125208604.db2.gz NEGLCFUOSNACIF-WMLDXEAASA-N 0 1 352.434 4.365 20 30 FIEDMN COc1sc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1Br ZINC000618743117 1125259510 /nfs/dbraw/zinc/25/95/10/1125259510.db2.gz XDZXMEWLRBDMBC-OAHLLOKOSA-N 0 1 363.280 4.168 20 30 FIEDMN C=CCN1CC[C@H](N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)C1=O ZINC000499602112 1125275808 /nfs/dbraw/zinc/27/58/08/1125275808.db2.gz JMVRKXUXHKQGFV-KXBFYZLASA-N 0 1 354.425 4.056 20 30 FIEDMN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1nc2ccc(Cl)cc2n1C ZINC000618806809 1125285472 /nfs/dbraw/zinc/28/54/72/1125285472.db2.gz RVPZWYMLPCEBFD-SJKOYZFVSA-N 0 1 350.853 4.436 20 30 FIEDMN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000618893626 1125313364 /nfs/dbraw/zinc/31/33/64/1125313364.db2.gz RVFXMPDJRNRLAQ-AWEZNQCLSA-N 0 1 368.849 4.081 20 30 FIEDMN CC[C@H]1[C@H](C)CCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000481370227 567823978 /nfs/dbraw/zinc/82/39/78/567823978.db2.gz ITBJCPVQQLAHLS-KUHUBIRLSA-N 0 1 356.514 4.151 20 30 FIEDMN CN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000568497294 568037385 /nfs/dbraw/zinc/03/73/85/568037385.db2.gz PVSFYVDBMSXLLD-IBGZPJMESA-N 0 1 359.395 4.066 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4nc5c(cc4C#N)CCC5)C3)[nH]c2c1 ZINC000408226684 568053572 /nfs/dbraw/zinc/05/35/72/568053572.db2.gz OVDFUCXRXRFFGL-MRXNPFEDSA-N 0 1 357.461 4.011 20 30 FIEDMN CCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000603982178 568194273 /nfs/dbraw/zinc/19/42/73/568194273.db2.gz GVUSLUZVYKAMHX-UHFFFAOYSA-N 0 1 364.854 4.110 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)[N@H+]2C[C@H](c3ccccc3C)C[C@H]2C)c(C#N)c1C ZINC000303751727 568281401 /nfs/dbraw/zinc/28/14/01/568281401.db2.gz LZFKQIWRSLVHIH-QGPMSJSTSA-N 0 1 365.477 4.282 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N2C[C@H](c3ccccc3C)C[C@H]2C)c(C#N)c1C ZINC000303751727 568281402 /nfs/dbraw/zinc/28/14/02/568281402.db2.gz LZFKQIWRSLVHIH-QGPMSJSTSA-N 0 1 365.477 4.282 20 30 FIEDMN N#Cc1ccc(CN2CCC(c3ccc(OC(F)(F)F)cc3)CC2)nc1 ZINC000570174379 568459301 /nfs/dbraw/zinc/45/93/01/568459301.db2.gz YEYBIOVTCZGFNW-UHFFFAOYSA-N 0 1 361.367 4.231 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H]1CCCCN1CCCC1(C#N)CCOCC1 ZINC000619621273 1125641981 /nfs/dbraw/zinc/64/19/81/1125641981.db2.gz IHUPEESNHTZFEO-FQEVSTJZSA-N 0 1 366.509 4.201 20 30 FIEDMN N#Cc1ccc(CNCc2ccc(Br)c(F)c2)cc1Cl ZINC000619748750 1125690586 /nfs/dbraw/zinc/69/05/86/1125690586.db2.gz SKNROEYDBGLTOV-UHFFFAOYSA-N 0 1 353.622 4.403 20 30 FIEDMN C#CCSCC(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC001125280236 1079667880 /nfs/dbraw/zinc/66/78/80/1079667880.db2.gz YVMYLOZMLLJVMV-UHFFFAOYSA-N 0 1 355.850 4.188 20 30 FIEDMN Cc1cccc(CN(CCOc2ccc(C#N)cc2)Cc2ccccn2)c1 ZINC000471184424 1080149528 /nfs/dbraw/zinc/14/95/28/1080149528.db2.gz CBIRIPMULJKIIA-UHFFFAOYSA-N 0 1 357.457 4.343 20 30 FIEDMN CC(C)N(CCCSCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000154566627 1080253206 /nfs/dbraw/zinc/25/32/06/1080253206.db2.gz LIRJEHHPWDBGBG-UHFFFAOYSA-N 0 1 364.902 4.247 20 30 FIEDMN CC(C)(C)c1ccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000047359015 1080293070 /nfs/dbraw/zinc/29/30/70/1080293070.db2.gz FVFUXXHQNHNSJR-ZDUSSCGKSA-N 0 1 362.389 4.259 20 30 FIEDMN CC(C)(C)c1ccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000047359013 1080293607 /nfs/dbraw/zinc/29/36/07/1080293607.db2.gz FVFUXXHQNHNSJR-CYBMUJFWSA-N 0 1 362.389 4.259 20 30 FIEDMN C=CCCCCCCCCN1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001209444021 1080707069 /nfs/dbraw/zinc/70/70/69/1080707069.db2.gz KWEIRVJKTBHYLI-FQEVSTJZSA-N 0 1 355.530 4.128 20 30 FIEDMN Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000510195020 1080760398 /nfs/dbraw/zinc/76/03/98/1080760398.db2.gz UDZLPJCKGMUFNI-SFHVURJKSA-N 0 1 364.836 4.374 20 30 FIEDMN N#Cc1ccc(N2CCN(CCCSCc3ccccc3)CC2)c(F)c1 ZINC001167288276 1081051688 /nfs/dbraw/zinc/05/16/88/1081051688.db2.gz ZOQCEDDGNNSCEG-UHFFFAOYSA-N 0 1 369.509 4.143 20 30 FIEDMN Cc1c(CS(C)(=O)=O)cccc1N=Cc1cc(Cl)cc(Cl)c1O ZINC000255060799 1081057517 /nfs/dbraw/zinc/05/75/17/1081057517.db2.gz GNPJWJPXIYMWDC-UHFFFAOYSA-N 0 1 372.273 4.303 20 30 FIEDMN COc1ccc(C#N)cc1CNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000120935141 1081063741 /nfs/dbraw/zinc/06/37/41/1081063741.db2.gz OFKUMRMYYRJCBN-UHFFFAOYSA-N 0 1 356.853 4.016 20 30 FIEDMN CCc1ccc(CN2CCN(c3cc(C#N)nc4ccccc43)CC2)s1 ZINC000610278663 1081150081 /nfs/dbraw/zinc/15/00/81/1081150081.db2.gz BDWMPVYXUKFHQA-UHFFFAOYSA-N 0 1 362.502 4.053 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@H](C)c3cccc(C#N)c3)[nH]c2c1 ZINC000610408325 1081786587 /nfs/dbraw/zinc/78/65/87/1081786587.db2.gz STOXEXDMRWLGMB-QRWLVFNGSA-N 0 1 373.460 4.351 20 30 FIEDMN COc1cc(OC)c(OC)cc1N=Cc1cc(Cl)cc(Cl)c1O ZINC000255194480 1081843668 /nfs/dbraw/zinc/84/36/68/1081843668.db2.gz GPIOEHDCZMLXQD-UHFFFAOYSA-N 0 1 356.205 4.475 20 30 FIEDMN C[C@H](Sc1nc(C2CC2)n[nH]1)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000036033972 1081861344 /nfs/dbraw/zinc/86/13/44/1081861344.db2.gz QPLRMHVZDATFQJ-UEMWTREESA-N 0 1 368.506 4.043 20 30 FIEDMN C[C@H](Sc1n[nH]c(C2CC2)n1)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000036033972 1081861349 /nfs/dbraw/zinc/86/13/49/1081861349.db2.gz QPLRMHVZDATFQJ-UEMWTREESA-N 0 1 368.506 4.043 20 30 FIEDMN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(F)ccc2-n2cccn2)s1 ZINC000580688256 1082083070 /nfs/dbraw/zinc/08/30/70/1082083070.db2.gz UORSFDDWCYNNRK-CQSZACIVSA-N 0 1 368.437 4.255 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cc(F)ccc2-n2cccn2)s1 ZINC000580688256 1082083073 /nfs/dbraw/zinc/08/30/73/1082083073.db2.gz UORSFDDWCYNNRK-CQSZACIVSA-N 0 1 368.437 4.255 20 30 FIEDMN COc1cc([C@@H](C)NCc2ccc(C#N)cc2F)ccc1OC(F)F ZINC000177857235 1082230067 /nfs/dbraw/zinc/23/00/67/1082230067.db2.gz JSKQDRKRHUDUFJ-LLVKDONJSA-N 0 1 350.340 4.158 20 30 FIEDMN N#Cc1ccc2ncc(CN3CCC(c4c[nH]c5ccc(F)cc54)CC3)n2c1 ZINC000581113895 1082320423 /nfs/dbraw/zinc/32/04/23/1082320423.db2.gz OZEPUCKVTRWYME-UHFFFAOYSA-N 0 1 373.435 4.206 20 30 FIEDMN CC(C)(C#N)CCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000539613843 1082412376 /nfs/dbraw/zinc/41/23/76/1082412376.db2.gz GSKONZYDCDFWLH-UHFFFAOYSA-N 0 1 354.325 4.093 20 30 FIEDMN CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1C ZINC000430595340 1082550931 /nfs/dbraw/zinc/55/09/31/1082550931.db2.gz UGJXIMKVDPFZIL-AWEZNQCLSA-N 0 1 355.463 4.198 20 30 FIEDMN CC(=O)Nc1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1C ZINC000430595340 1082550934 /nfs/dbraw/zinc/55/09/34/1082550934.db2.gz UGJXIMKVDPFZIL-AWEZNQCLSA-N 0 1 355.463 4.198 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnn(CCC(F)(F)F)c2)s1 ZINC000430607804 1082620827 /nfs/dbraw/zinc/62/08/27/1082620827.db2.gz ZRBDMVMQIDMIEA-LLVKDONJSA-N 0 1 370.400 4.080 20 30 FIEDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)C1(C(F)F)CC1 ZINC000843568680 1082647477 /nfs/dbraw/zinc/64/74/77/1082647477.db2.gz JOQCAJVHRQBBDP-UHFFFAOYSA-N 0 1 369.240 4.201 20 30 FIEDMN N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Cl)o1 ZINC000126582298 1082672392 /nfs/dbraw/zinc/67/23/92/1082672392.db2.gz FYUNGHMGYIFYGW-JTQLQIEISA-N 0 1 370.764 4.209 20 30 FIEDMN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Cl)o1 ZINC000126582298 1082672396 /nfs/dbraw/zinc/67/23/96/1082672396.db2.gz FYUNGHMGYIFYGW-JTQLQIEISA-N 0 1 370.764 4.209 20 30 FIEDMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(C2CC2)c1 ZINC000581648507 1082748050 /nfs/dbraw/zinc/74/80/50/1082748050.db2.gz HWQRXWOAJJXUQF-ZDUSSCGKSA-N 0 1 353.853 4.378 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000430626892 1082748705 /nfs/dbraw/zinc/74/87/05/1082748705.db2.gz MOXZJKUPEBYPGW-GFCCVEGCSA-N 0 1 363.826 4.492 20 30 FIEDMN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000430626892 1082748709 /nfs/dbraw/zinc/74/87/09/1082748709.db2.gz MOXZJKUPEBYPGW-GFCCVEGCSA-N 0 1 363.826 4.492 20 30 FIEDMN COc1ccc(/C=C\C(=O)c2ccc(C)cc2O)cc1OCCCC#N ZINC000255356021 1082782768 /nfs/dbraw/zinc/78/27/68/1082782768.db2.gz NLSOYVRUCJCDLP-TWGQIWQCSA-N 0 1 351.402 4.288 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(C(=O)C=Cc4ccccc4C#N)C3)[nH]c2c1 ZINC000179451745 1083468586 /nfs/dbraw/zinc/46/85/86/1083468586.db2.gz NMAVWPYFLDIXFL-JARZOMNASA-N 0 1 370.456 4.162 20 30 FIEDMN CC(C)[C@H]1c2ccccc2CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000610788051 1083515767 /nfs/dbraw/zinc/51/57/67/1083515767.db2.gz NJWGHASZVNMWJB-NRFANRHFSA-N 0 1 358.445 4.364 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1O ZINC000188377401 1083536346 /nfs/dbraw/zinc/53/63/46/1083536346.db2.gz BZJHUTWIJOBNAV-UHFFFAOYSA-N 0 1 354.369 4.059 20 30 FIEDMN CCOc1ccccc1[C@@H](CC)N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000179751958 1083614904 /nfs/dbraw/zinc/61/49/04/1083614904.db2.gz KEXZRKRRWNFVQE-RDTXWAMCSA-N 0 1 369.465 4.235 20 30 FIEDMN Cc1ccc(NC(=O)C[C@H](C)NCc2ccc(C#N)cc2F)cc1Cl ZINC000610812755 1083724775 /nfs/dbraw/zinc/72/47/75/1083724775.db2.gz OGOBMIFPBANICP-ZDUSSCGKSA-N 0 1 359.832 4.166 20 30 FIEDMN CCCNc1ccc(C#N)cc1NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000176169846 1083737691 /nfs/dbraw/zinc/73/76/91/1083737691.db2.gz FYVMKTQRRLFTEZ-UHFFFAOYSA-N 0 1 361.449 4.136 20 30 FIEDMN CC[C@@H](CC1CCCC1)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000413692255 1083741692 /nfs/dbraw/zinc/74/16/92/1083741692.db2.gz KARGRCQJGFAFMS-NRFANRHFSA-N 0 1 367.537 4.267 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3cccc(C#N)c3C)[nH]c2c1 ZINC000610905644 1083833353 /nfs/dbraw/zinc/83/33/53/1083833353.db2.gz NHUZDXXTGAJFOI-IBGZPJMESA-N 0 1 359.433 4.420 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@]3(CCSC3)C2)c(Br)c1 ZINC000451986964 1083919353 /nfs/dbraw/zinc/91/93/53/1083919353.db2.gz YDVOWNGDCJCDBJ-INIZCTEOSA-N 0 1 351.313 4.040 20 30 FIEDMN C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCC(C)(C)C#N ZINC000612587982 1083930086 /nfs/dbraw/zinc/93/00/86/1083930086.db2.gz JWXGUYGCFVBGSQ-SNVBAGLBSA-N 0 1 361.795 4.215 20 30 FIEDMN CCOc1c(OC)cc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000180030711 1084077444 /nfs/dbraw/zinc/07/74/44/1084077444.db2.gz IXNRNLAXEMQHHN-UHFFFAOYSA-N 0 1 366.461 4.139 20 30 FIEDMN COC(=O)c1ccccc1-c1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)o1 ZINC000728439312 1084168432 /nfs/dbraw/zinc/16/84/32/1084168432.db2.gz ZKTBEESPTYSSKL-YFHOEESVSA-N 0 1 366.344 4.474 20 30 FIEDMN C=CCCO[C@H](C)C(=O)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1 ZINC001625873682 1084245406 /nfs/dbraw/zinc/24/54/06/1084245406.db2.gz LHKIOVQYIWUSAR-CQSZACIVSA-N 0 1 370.415 4.221 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1O ZINC000188617313 1084303267 /nfs/dbraw/zinc/30/32/67/1084303267.db2.gz ZJEKXRAKINJCTD-UHFFFAOYSA-N 0 1 363.417 4.035 20 30 FIEDMN Cc1nc2cc(C(=O)C(C#N)c3ccccn3)ccc2n1Cc1ccsc1 ZINC000472517353 1084422128 /nfs/dbraw/zinc/42/21/28/1084422128.db2.gz LGMWVUWSFDLVAX-QGZVFWFLSA-N 0 1 372.453 4.340 20 30 FIEDMN CN(Cc1ccc(OCC(F)(F)F)cc1)Cc1ccc(C#N)c(F)c1 ZINC000511060720 1084524315 /nfs/dbraw/zinc/52/43/15/1084524315.db2.gz VGWFGYWCRCQNGQ-UHFFFAOYSA-N 0 1 352.331 4.270 20 30 FIEDMN N#C[C@@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccn1 ZINC000613296530 1084557558 /nfs/dbraw/zinc/55/75/58/1084557558.db2.gz IZCGXFCLLWELEF-LJQANCHMSA-N 0 1 364.408 4.424 20 30 FIEDMN N#CC(C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccn1 ZINC000613296530 1084557563 /nfs/dbraw/zinc/55/75/63/1084557563.db2.gz IZCGXFCLLWELEF-LJQANCHMSA-N 0 1 364.408 4.424 20 30 FIEDMN N#Cc1ccc(CNCc2ccc(OCC3CC3)nc2)c(C(F)(F)F)c1 ZINC000582091743 1084598547 /nfs/dbraw/zinc/59/85/47/1084598547.db2.gz IEMBHIPOZWNEID-UHFFFAOYSA-N 0 1 361.367 4.051 20 30 FIEDMN CC[C@H](C)[C@H](OC)C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000796660922 1084702321 /nfs/dbraw/zinc/70/23/21/1084702321.db2.gz GNSRXYFAOGIGMS-QITLCBANSA-N 0 1 358.463 4.056 20 30 FIEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000321550074 1084865490 /nfs/dbraw/zinc/86/54/90/1084865490.db2.gz VZMCLGCLSCGFGE-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c(OC[C@H]2CCOC2)c1 ZINC000540706986 1084884632 /nfs/dbraw/zinc/88/46/32/1084884632.db2.gz XHSPDHBNXMEPPR-IRXDYDNUSA-N 0 1 368.452 4.272 20 30 FIEDMN CCc1nc2ccccc2n1C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000582513634 1085083694 /nfs/dbraw/zinc/08/36/94/1085083694.db2.gz AFCPEUVHPTXZOA-UHFFFAOYSA-N 0 1 350.491 4.369 20 30 FIEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000660940802 1085324009 /nfs/dbraw/zinc/32/40/09/1085324009.db2.gz YYQKGSIFMYYMQA-QFUCXCTJSA-N 0 1 370.541 4.041 20 30 FIEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000660940798 1085324759 /nfs/dbraw/zinc/32/47/59/1085324759.db2.gz YYQKGSIFMYYMQA-DSKINZAPSA-N 0 1 370.541 4.041 20 30 FIEDMN N#Cc1ccc(CCC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000178628712 1085332808 /nfs/dbraw/zinc/33/28/08/1085332808.db2.gz GRQWUDSIEIKGMZ-UHFFFAOYSA-N 0 1 358.323 4.025 20 30 FIEDMN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000661116167 1085399218 /nfs/dbraw/zinc/39/92/18/1085399218.db2.gz WHYYMYYGLWDLRN-NVXWUHKLSA-N 0 1 370.522 4.323 20 30 FIEDMN C#CC[C@@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000843672733 1085676934 /nfs/dbraw/zinc/67/69/34/1085676934.db2.gz RKCRCEQFHXNVMO-HXUWFJFHSA-N 0 1 360.501 4.194 20 30 FIEDMN C#CC[C@@H]1CCCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000843672733 1085676942 /nfs/dbraw/zinc/67/69/42/1085676942.db2.gz RKCRCEQFHXNVMO-HXUWFJFHSA-N 0 1 360.501 4.194 20 30 FIEDMN C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](CC(C)C)C(=O)[O-] ZINC000566359048 1085736365 /nfs/dbraw/zinc/73/63/65/1085736365.db2.gz OUKFAGWSCHMCPU-HNNXBMFYSA-N 0 1 358.251 4.076 20 30 FIEDMN C=CCN(Cc1nnc(-c2ccccc2Br)o1)C(C)(C)C ZINC000661755386 1085802736 /nfs/dbraw/zinc/80/27/36/1085802736.db2.gz LSBOJDUOWAUIPG-UHFFFAOYSA-N 0 1 350.260 4.286 20 30 FIEDMN CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc(C#N)c(Cl)c3)sc2C1 ZINC000563530084 1085984564 /nfs/dbraw/zinc/98/45/64/1085984564.db2.gz AEBRRTVZTLLCAQ-UHFFFAOYSA-N 0 1 374.897 4.077 20 30 FIEDMN CC(C)(C)N1CCc2nc(NC(=O)c3ccc(C#N)c(Cl)c3)sc2C1 ZINC000563530084 1085984571 /nfs/dbraw/zinc/98/45/71/1085984571.db2.gz AEBRRTVZTLLCAQ-UHFFFAOYSA-N 0 1 374.897 4.077 20 30 FIEDMN C[C@H](NCc1nc2ccc(Br)cc2[nH]1)c1ccc(C#N)cc1 ZINC000161483539 1086004046 /nfs/dbraw/zinc/00/40/46/1086004046.db2.gz AVPAQYNUTVYPBM-NSHDSACASA-N 0 1 355.239 4.048 20 30 FIEDMN Cc1cccc(C(=O)Nc2ccccc2C(=O)C(C#N)c2ccccn2)c1 ZINC000049456352 1086024096 /nfs/dbraw/zinc/02/40/96/1086024096.db2.gz PKSLJDCFYIBXLK-GOSISDBHSA-N 0 1 355.397 4.132 20 30 FIEDMN C=CCOc1ccccc1CN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000161506488 1086079494 /nfs/dbraw/zinc/07/94/94/1086079494.db2.gz UYUFLYOPBSNKJE-OAHLLOKOSA-N 0 1 357.450 4.128 20 30 FIEDMN N#Cc1cnn2cc(CNCc3ccccc3Sc3ccccc3)cnc12 ZINC000548786115 1086136216 /nfs/dbraw/zinc/13/62/16/1086136216.db2.gz NTOQEZXLHKAKIM-UHFFFAOYSA-N 0 1 371.469 4.042 20 30 FIEDMN CCn1nc(C)c(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1C ZINC000066995522 1086805704 /nfs/dbraw/zinc/80/57/04/1086805704.db2.gz MZXIJJDFUUJPFR-UHFFFAOYSA-N 0 1 374.488 4.260 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C)C[C@H](C)C1 ZINC000246786219 1086957135 /nfs/dbraw/zinc/95/71/35/1086957135.db2.gz RZFKEURABFJFEL-IKGGRYGDSA-N 0 1 359.539 4.387 20 30 FIEDMN Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CCCC3(CCOCC3)C2)c(C)c1 ZINC000329627569 1087112617 /nfs/dbraw/zinc/11/26/17/1087112617.db2.gz UHXJRQJCWGPYDT-QGZVFWFLSA-N 0 1 373.497 4.087 20 30 FIEDMN C=C[C@H](CC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000536205849 1087146772 /nfs/dbraw/zinc/14/67/72/1087146772.db2.gz ZGXSGLFVAGKQAP-IFMALSPDSA-N 0 1 362.517 4.469 20 30 FIEDMN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248610162 1087246215 /nfs/dbraw/zinc/24/62/15/1087246215.db2.gz FTHYMIGXQUKZTM-YEWWUXTCSA-N 0 1 352.881 4.190 20 30 FIEDMN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cc(C#N)ccc1O ZINC000176821514 1087257863 /nfs/dbraw/zinc/25/78/63/1087257863.db2.gz GPBMVVOTUREORJ-UHFFFAOYSA-N 0 1 353.378 4.087 20 30 FIEDMN N#Cc1ccc2ncc(CN3CCC[C@H](c4nc5ccccc5s4)C3)n2c1 ZINC000535068305 1087468799 /nfs/dbraw/zinc/46/87/99/1087468799.db2.gz BFZVVRATDCNVFO-INIZCTEOSA-N 0 1 373.485 4.195 20 30 FIEDMN COc1cc(N=Cc2cc(Cl)cc(Cl)c2O)ccc1NC(C)=O ZINC000255644251 1087723164 /nfs/dbraw/zinc/72/31/64/1087723164.db2.gz VNWZZXJQEYFUFK-UHFFFAOYSA-N 0 1 353.205 4.417 20 30 FIEDMN N#CC(C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc(C2CC2)cs1 ZINC000647376816 1087798007 /nfs/dbraw/zinc/79/80/07/1087798007.db2.gz ZVWIODPIFNTRNC-IAGOWNOFSA-N 0 1 368.458 4.068 20 30 FIEDMN C=CCCc1ccccc1NC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000505039984 1088081018 /nfs/dbraw/zinc/08/10/18/1088081018.db2.gz RWXBXEUQQBOLHO-NRFANRHFSA-N 0 1 367.493 4.238 20 30 FIEDMN CCn1c2ccc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)cc2[nH]c1=O ZINC000659115499 1088124232 /nfs/dbraw/zinc/12/42/32/1088124232.db2.gz ZIAPKZVHCFKCTE-LBPRGKRZSA-N 0 1 368.462 4.006 20 30 FIEDMN COc1ccc(C#N)cc1CN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180949254 1088186496 /nfs/dbraw/zinc/18/64/96/1088186496.db2.gz PGPIRVCOYQXKAI-CYBMUJFWSA-N 0 1 364.367 4.359 20 30 FIEDMN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424746690 1088201206 /nfs/dbraw/zinc/20/12/06/1088201206.db2.gz LTKFEMBTAMPZKG-YOEHRIQHSA-N 0 1 352.881 4.190 20 30 FIEDMN CC(C)(C)OC(=O)N1Cc2ccc(CNCc3ccc(C#N)s3)cc2C1 ZINC000189576376 1088493746 /nfs/dbraw/zinc/49/37/46/1088493746.db2.gz SGBBBLOMKMQFJN-UHFFFAOYSA-N 0 1 369.490 4.160 20 30 FIEDMN Cc1cc(C#N)ccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000178551939 1088637030 /nfs/dbraw/zinc/63/70/30/1088637030.db2.gz YXSHFTPUWLNUGD-AWEZNQCLSA-N 0 1 350.328 4.102 20 30 FIEDMN CC[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)N(C)C ZINC000514073244 1088696467 /nfs/dbraw/zinc/69/64/67/1088696467.db2.gz STCCIHOQWOZATN-QGZVFWFLSA-N 0 1 357.841 4.283 20 30 FIEDMN CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000434618897 1088868624 /nfs/dbraw/zinc/86/86/24/1088868624.db2.gz YQINLDOSESZTEN-QFIPXVFZSA-N 0 1 367.468 4.401 20 30 FIEDMN CC(C)[C@@H](c1ccc(F)cc1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000434618897 1088868646 /nfs/dbraw/zinc/86/86/46/1088868646.db2.gz YQINLDOSESZTEN-QFIPXVFZSA-N 0 1 367.468 4.401 20 30 FIEDMN Cc1oc(NC(=O)CN(Cc2ccccc2)CC2CCC2)c(C#N)c1C ZINC000434830876 1089056972 /nfs/dbraw/zinc/05/69/72/1089056972.db2.gz VEJDHPZQRARORX-UHFFFAOYSA-N 0 1 351.450 4.009 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4c(C#N)cccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000425241829 1089141645 /nfs/dbraw/zinc/14/16/45/1089141645.db2.gz BBJJEBNRCBBYSU-OAHLLOKOSA-N 0 1 361.405 4.035 20 30 FIEDMN CC(C)CN(CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000434931682 1089149647 /nfs/dbraw/zinc/14/96/47/1089149647.db2.gz OOZWTJANYWWELD-UHFFFAOYSA-N 0 1 367.518 4.399 20 30 FIEDMN C=CCC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000434992998 1089192588 /nfs/dbraw/zinc/19/25/88/1089192588.db2.gz YLQZQUXPAUUDAU-VQTJNVASSA-N 0 1 367.493 4.423 20 30 FIEDMN C=CCOc1cccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000435054978 1089242620 /nfs/dbraw/zinc/24/26/20/1089242620.db2.gz AMABNNTUKXCXLI-UHFFFAOYSA-N 0 1 353.437 4.485 20 30 FIEDMN CCCCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1OCC ZINC000435336758 1089540656 /nfs/dbraw/zinc/54/06/56/1089540656.db2.gz QRORKENMNOEOCE-KAMYIIQDSA-N 0 1 367.449 4.088 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CNCc2ccnc(Oc3ccccc3)c2)cc1 ZINC000728712100 1089800896 /nfs/dbraw/zinc/80/08/96/1089800896.db2.gz ZSNDWPRCOMJUBI-QGZVFWFLSA-N 0 1 359.429 4.455 20 30 FIEDMN COc1ccc(-c2nc3ccc(C#N)cc3[nH]2)c(OCc2cccnc2)c1 ZINC000435697275 1089880556 /nfs/dbraw/zinc/88/05/56/1089880556.db2.gz RXZSQNZRTOPJLW-UHFFFAOYSA-N 0 1 356.385 4.084 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1C#N ZINC000435729180 1089900977 /nfs/dbraw/zinc/90/09/77/1089900977.db2.gz SZWUGEXDGNPTIJ-AWEZNQCLSA-N 0 1 371.487 4.062 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cc(C#N)oc3C)n2)cc1 ZINC000435775574 1089930322 /nfs/dbraw/zinc/93/03/22/1089930322.db2.gz DAPKSKOQLPEWCY-MRXNPFEDSA-N 0 1 363.398 4.082 20 30 FIEDMN N#Cc1ccc(CN(C[C@H]2CCCO2)C2CCCC2)c(Br)c1 ZINC000481082583 1090146993 /nfs/dbraw/zinc/14/69/93/1090146993.db2.gz WWIIXXMOMJKWRP-QGZVFWFLSA-N 0 1 363.299 4.244 20 30 FIEDMN CCCc1sc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1CC ZINC000072678759 1090436395 /nfs/dbraw/zinc/43/63/95/1090436395.db2.gz FQTLJAGDMSRUSJ-CQSZACIVSA-N 0 1 356.495 4.071 20 30 FIEDMN C=CCc1cc(CNCc2cnc(CC(C)C)s2)cc(OC)c1OC ZINC000162521336 1090994189 /nfs/dbraw/zinc/99/41/89/1090994189.db2.gz NGNAFQVODKZOFQ-UHFFFAOYSA-N 0 1 360.523 4.377 20 30 FIEDMN N#Cc1ccc(N2CCN(Cc3cccc(-c4ccncc4)c3)CC2)c(F)c1 ZINC000512240026 1091947997 /nfs/dbraw/zinc/94/79/97/1091947997.db2.gz CDHIGMOSAGFYIY-UHFFFAOYSA-N 0 1 372.447 4.082 20 30 FIEDMN C=CCN(Cc1ccccc1)C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000512319970 1092038568 /nfs/dbraw/zinc/03/85/68/1092038568.db2.gz BOVKUEVTJWCIKC-UHFFFAOYSA-N 0 1 366.530 4.064 20 30 FIEDMN CC1CCN([C@H](CNC(=O)[C@]2(C#N)CC23CCCC3)c2cccs2)CC1 ZINC000521186517 1092563792 /nfs/dbraw/zinc/56/37/92/1092563792.db2.gz GQXXDXYCZZNHPA-DYESRHJHSA-N 0 1 371.550 4.111 20 30 FIEDMN C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000521373068 1092665314 /nfs/dbraw/zinc/66/53/14/1092665314.db2.gz NRNWIVDUAOIITP-HNNXBMFYSA-N 0 1 357.404 4.301 20 30 FIEDMN Cc1ccc([C@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)cc1C ZINC000518837648 1092669641 /nfs/dbraw/zinc/66/96/41/1092669641.db2.gz HZCAJFPGMLCYQR-HXUWFJFHSA-N 0 1 353.510 4.125 20 30 FIEDMN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccncc1OCC(F)F ZINC000442866724 1092812664 /nfs/dbraw/zinc/81/26/64/1092812664.db2.gz MIQWCSVSERBBLD-SFHVURJKSA-N 0 1 357.404 4.154 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cc1O ZINC000442958533 1092886908 /nfs/dbraw/zinc/88/69/08/1092886908.db2.gz BUNYABWFCXEFCL-UHFFFAOYSA-N 0 1 372.428 4.359 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1ccccc1-n1cccn1 ZINC000573587403 1092948465 /nfs/dbraw/zinc/94/84/65/1092948465.db2.gz NNWWHTKZMUZYCR-CQSZACIVSA-N 0 1 368.387 4.196 20 30 FIEDMN Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171776 1093054003 /nfs/dbraw/zinc/05/40/03/1093054003.db2.gz ZJCBFNWSZXSKAY-UHFFFAOYSA-N 0 1 360.299 4.221 20 30 FIEDMN CN(Cc1cc(Br)cn1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171776 1093054013 /nfs/dbraw/zinc/05/40/13/1093054013.db2.gz ZJCBFNWSZXSKAY-UHFFFAOYSA-N 0 1 360.299 4.221 20 30 FIEDMN OCC1(c2ccccc2)CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000433057889 1093176041 /nfs/dbraw/zinc/17/60/41/1093176041.db2.gz NKNRSVJJVSGOPF-UHFFFAOYSA-N 0 1 373.418 4.083 20 30 FIEDMN CCOc1ccc(F)c(Nc2cc(C#N)c(F)cc2O)c1Br ZINC001211758705 1093220995 /nfs/dbraw/zinc/22/09/95/1093220995.db2.gz RSWLGZCGBLPJHX-UHFFFAOYSA-N 0 1 369.165 4.447 20 30 FIEDMN CSc1ccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512818848 1093393033 /nfs/dbraw/zinc/39/30/33/1093393033.db2.gz ZHVJMOVKRWQCEU-UHFFFAOYSA-N 0 1 356.466 4.463 20 30 FIEDMN N#Cc1ccc(OC2CCN(CCSc3ccccc3F)CC2)c(F)c1 ZINC000512818498 1093402843 /nfs/dbraw/zinc/40/28/43/1093402843.db2.gz USSKGUVEHLJJMN-UHFFFAOYSA-N 0 1 374.456 4.472 20 30 FIEDMN C=CCC[C@@H](O)CN1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000433305502 1093560284 /nfs/dbraw/zinc/56/02/84/1093560284.db2.gz PQYDEKZCBDNMTD-SJORKVTESA-N 0 1 357.416 4.184 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C3CC3)cc2)c(C#N)c1C ZINC000419331909 1093661098 /nfs/dbraw/zinc/66/10/98/1093661098.db2.gz HJUZAXGVCZXCQJ-ZIAGYGMSSA-N 0 1 351.450 4.323 20 30 FIEDMN Cc1cc(C#N)ccc1CN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000614397644 1093815253 /nfs/dbraw/zinc/81/52/53/1093815253.db2.gz LKJHARCRBVOTLJ-RBUKOAKNSA-N 0 1 361.272 4.264 20 30 FIEDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 ZINC000513091227 1093828656 /nfs/dbraw/zinc/82/86/56/1093828656.db2.gz YTYRRNFMQVDHMY-ZBWQPJPKSA-N 0 1 367.537 4.242 20 30 FIEDMN CCC[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)CCN1Cc1ccccc1 ZINC000513130825 1093873386 /nfs/dbraw/zinc/87/33/86/1093873386.db2.gz YVCFHZPUMYUVRU-HXUWFJFHSA-N 0 1 370.541 4.012 20 30 FIEDMN N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000513168108 1093977857 /nfs/dbraw/zinc/97/78/57/1093977857.db2.gz XMZHKQKFXRJFIH-LJQANCHMSA-N 0 1 370.840 4.369 20 30 FIEDMN N#Cc1ccc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000513179963 1094001478 /nfs/dbraw/zinc/00/14/78/1094001478.db2.gz XMCQCCJBKXAWMJ-LJQANCHMSA-N 0 1 370.840 4.369 20 30 FIEDMN N#Cc1cccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000501030975 1094429104 /nfs/dbraw/zinc/42/91/04/1094429104.db2.gz HSXJRVLGCLDKQJ-IBGZPJMESA-N 0 1 368.868 4.170 20 30 FIEDMN C=CCOc1cccc(CNc2ccc3c(c2)nc(C)n3[C@@H](C)CO)c1 ZINC000419756736 1094583746 /nfs/dbraw/zinc/58/37/46/1094583746.db2.gz BHOCKTMGQFBZMJ-HNNXBMFYSA-N 0 1 351.450 4.075 20 30 FIEDMN N#C[C@@H](C(=O)c1csc(Cc2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000041494209 1094620455 /nfs/dbraw/zinc/62/04/55/1094620455.db2.gz LASRVQCEABMASC-AWEZNQCLSA-N 0 1 358.426 4.100 20 30 FIEDMN N#CC(C(=O)c1csc(Cc2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000041494209 1094620486 /nfs/dbraw/zinc/62/04/86/1094620486.db2.gz LASRVQCEABMASC-AWEZNQCLSA-N 0 1 358.426 4.100 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2ccccc2OCc2c(C)noc2C)n1 ZINC000041516573 1094641151 /nfs/dbraw/zinc/64/11/51/1094641151.db2.gz YLFPLEDGKGZRHS-OAHLLOKOSA-N 0 1 367.430 4.125 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2OCc2c(C)noc2C)n1 ZINC000041516573 1094641160 /nfs/dbraw/zinc/64/11/60/1094641160.db2.gz YLFPLEDGKGZRHS-OAHLLOKOSA-N 0 1 367.430 4.125 20 30 FIEDMN COc1cc(OC)cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000041535677 1094647495 /nfs/dbraw/zinc/64/74/95/1094647495.db2.gz YLOUXCICRYDMEV-QGZVFWFLSA-N 0 1 364.426 4.317 20 30 FIEDMN Fc1ccc(C#CCN[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000501528250 1094754549 /nfs/dbraw/zinc/75/45/49/1094754549.db2.gz CFIOSGQBISBURT-QGZVFWFLSA-N 0 1 360.226 4.053 20 30 FIEDMN CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CCc4[nH]nnc4C3)cc2s1 ZINC000329180784 1094770294 /nfs/dbraw/zinc/77/02/94/1094770294.db2.gz NZFGPHFMZHLCGP-JTQLQIEISA-N 0 1 355.467 4.105 20 30 FIEDMN CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CCc4nn[nH]c4C3)cc2s1 ZINC000329180784 1094770300 /nfs/dbraw/zinc/77/03/00/1094770300.db2.gz NZFGPHFMZHLCGP-JTQLQIEISA-N 0 1 355.467 4.105 20 30 FIEDMN CC(C)Oc1cccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000179322290 1094789624 /nfs/dbraw/zinc/78/96/24/1094789624.db2.gz IXHUOQQSUNGDKA-GFCCVEGCSA-N 0 1 370.359 4.104 20 30 FIEDMN C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC000329347193 1094854337 /nfs/dbraw/zinc/85/43/37/1094854337.db2.gz VLFBKVQIPCBBIM-MGPQQGTHSA-N 0 1 358.408 4.032 20 30 FIEDMN O=C(CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1)Nc1ccccc1 ZINC000329433912 1094904833 /nfs/dbraw/zinc/90/48/33/1094904833.db2.gz JBKIUCOYVNQAPZ-KRWDZBQOSA-N 0 1 367.497 4.320 20 30 FIEDMN C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000329466426 1094921394 /nfs/dbraw/zinc/92/13/94/1094921394.db2.gz VOZBRHXYPNRWNP-KBPBESRZSA-N 0 1 359.495 4.164 20 30 FIEDMN C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCC2(CCOCC2)[C@@H]1C ZINC000329466426 1094921397 /nfs/dbraw/zinc/92/13/97/1094921397.db2.gz VOZBRHXYPNRWNP-KBPBESRZSA-N 0 1 359.495 4.164 20 30 FIEDMN Cc1csc(-c2cccc(NC(=O)N3CCCC[C@@H]3c3nnc[nH]3)c2)n1 ZINC000329526662 1094952733 /nfs/dbraw/zinc/95/27/33/1094952733.db2.gz TVKGTMQZWOKJAU-OAHLLOKOSA-N 0 1 368.466 4.009 20 30 FIEDMN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000329606033 1094996919 /nfs/dbraw/zinc/99/69/19/1094996919.db2.gz MIADKJZICXCKDE-XLIONFOSSA-N 0 1 366.509 4.316 20 30 FIEDMN CCN(CCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)CC(F)(F)F ZINC000475037844 1095254692 /nfs/dbraw/zinc/25/46/92/1095254692.db2.gz HQVRNWHXLZVPPE-ZWKOTPCHSA-N 0 1 353.432 4.032 20 30 FIEDMN CC(C)(C[NH+]=C([O-])N1CCC(c2c[nH]cn2)CC1)Cc1cccc(Cl)c1 ZINC000329780937 1095262961 /nfs/dbraw/zinc/26/29/61/1095262961.db2.gz SHHBXOXTCFNHPT-UHFFFAOYSA-N 0 1 374.916 4.425 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H]([NH+]=C([O-])N[C@H]1CCCc3ccc(F)cc31)CC2 ZINC000329997831 1095344576 /nfs/dbraw/zinc/34/45/76/1095344576.db2.gz RFSRCLMUVIYIAL-HKUYNNGSSA-N 0 1 370.472 4.042 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H](NC(=O)N[C@H]1CCCc3ccc(F)cc31)CC2 ZINC000329997831 1095344588 /nfs/dbraw/zinc/34/45/88/1095344588.db2.gz RFSRCLMUVIYIAL-HKUYNNGSSA-N 0 1 370.472 4.042 20 30 FIEDMN O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330069805 1095368696 /nfs/dbraw/zinc/36/86/96/1095368696.db2.gz HNSZXOHEUYKHFQ-OAHLLOKOSA-N 0 1 373.888 4.457 20 30 FIEDMN O=C(Nc1ccccc1N1CCCCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330081150 1095373431 /nfs/dbraw/zinc/37/34/31/1095373431.db2.gz AADSSHOITKUSRS-QGZVFWFLSA-N 0 1 353.470 4.003 20 30 FIEDMN O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)N[C@@H]1CCCc2cn[nH]c21 ZINC000330081826 1095373749 /nfs/dbraw/zinc/37/37/49/1095373749.db2.gz PVJXVADAPSGOBF-ZIAGYGMSSA-N 0 1 365.264 4.285 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000330140445 1095391855 /nfs/dbraw/zinc/39/18/55/1095391855.db2.gz PKYGZSDXACVMJI-RTBURBONSA-N 0 1 350.466 4.243 20 30 FIEDMN C[C@H](C(=O)N[C@@H]1CCCc2cn[nH]c21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000330139276 1095393551 /nfs/dbraw/zinc/39/35/51/1095393551.db2.gz WCWXMPSZXARJBH-OXQOHEQNSA-N 0 1 366.509 4.087 20 30 FIEDMN C[C@H](C(=O)N[C@@H]1CCCc2c[nH]nc21)N1CCC(Cc2ccccc2)CC1 ZINC000330139276 1095393568 /nfs/dbraw/zinc/39/35/68/1095393568.db2.gz WCWXMPSZXARJBH-OXQOHEQNSA-N 0 1 366.509 4.087 20 30 FIEDMN O=C(NCC1(c2ccc(Cl)cc2)CCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330153317 1095396940 /nfs/dbraw/zinc/39/69/40/1095396940.db2.gz XCXSXFPBDJYNDE-MRXNPFEDSA-N 0 1 358.873 4.066 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCC[C@H](c2ccccc2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000330168551 1095401237 /nfs/dbraw/zinc/40/12/37/1095401237.db2.gz CSTMZEOATDGKMQ-IPMKNSEASA-N 0 1 352.482 4.230 20 30 FIEDMN Cc1cn2c(n1)[C@H](CNC([O-])=[NH+][C@H]1CCc3ccc(C(C)C)cc31)CCC2 ZINC000330199892 1095413074 /nfs/dbraw/zinc/41/30/74/1095413074.db2.gz WALGRZYMKSYHIJ-ICSRJNTNSA-N 0 1 366.509 4.383 20 30 FIEDMN CC(C)(C)c1ccc([C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCn3ccnc3C2)cc1 ZINC000330201001 1095413328 /nfs/dbraw/zinc/41/33/28/1095413328.db2.gz XDTCMSFCAAXLAF-MOPGFXCFSA-N 0 1 366.509 4.247 20 30 FIEDMN O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CCC(c2cnc[nH]2)CC1 ZINC000330258644 1095437222 /nfs/dbraw/zinc/43/72/22/1095437222.db2.gz MQUHKLVZDXMANA-ZDUSSCGKSA-N 0 1 364.902 4.296 20 30 FIEDMN O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCC(c2cnc[nH]2)CC1 ZINC000330258643 1095437315 /nfs/dbraw/zinc/43/73/15/1095437315.db2.gz MQUHKLVZDXMANA-CYBMUJFWSA-N 0 1 364.902 4.296 20 30 FIEDMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCc1ccc(C#N)s1 ZINC000421347181 1095541218 /nfs/dbraw/zinc/54/12/18/1095541218.db2.gz FBISWNAFKQJJQF-UHFFFAOYSA-N 0 1 370.909 4.425 20 30 FIEDMN CC[C@@H]1C[C@]1(NCC(=O)N(CCC#N)c1ccccc1)c1cccc(C)c1 ZINC000502545351 1095571367 /nfs/dbraw/zinc/57/13/67/1095571367.db2.gz XBZTWUNCPGRATF-AUSIDOKSSA-N 0 1 361.489 4.157 20 30 FIEDMN COc1ccc(CNCc2ccc(C#N)cc2F)cc1OCCC(C)C ZINC000237220090 1095621715 /nfs/dbraw/zinc/62/17/15/1095621715.db2.gz QSSUHAINKRHJPY-UHFFFAOYSA-N 0 1 356.441 4.421 20 30 FIEDMN Cc1csc(C(C#N)=C([O-])c2cccc(C(=O)Nc3ccccc3)c2)n1 ZINC000513750178 1095675368 /nfs/dbraw/zinc/67/53/68/1095675368.db2.gz CDFKUTCENWMTBX-QGZVFWFLSA-N 0 1 361.426 4.194 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)n1 ZINC000513750178 1095675375 /nfs/dbraw/zinc/67/53/75/1095675375.db2.gz CDFKUTCENWMTBX-QGZVFWFLSA-N 0 1 361.426 4.194 20 30 FIEDMN Cc1ccccc1[C@@]1(F)CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000502910346 1095939990 /nfs/dbraw/zinc/93/99/90/1095939990.db2.gz WFWOBIPBXZELKG-HSZRJFAPSA-N 0 1 374.463 4.338 20 30 FIEDMN Cc1csc(-c2cccc(C(=O)[C@H](C#N)c3nc4c(nccc4C)[nH]3)c2)n1 ZINC000429592642 1095974894 /nfs/dbraw/zinc/97/48/94/1095974894.db2.gz UAMVPSKDRNQACY-HNNXBMFYSA-N 0 1 373.441 4.188 20 30 FIEDMN Clc1ccccc1C#CCN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000503150305 1096095196 /nfs/dbraw/zinc/09/51/96/1096095196.db2.gz SWIHKAAPUHICAT-IBGZPJMESA-N 0 1 362.864 4.314 20 30 FIEDMN Clc1ccccc1C#CCN1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503150305 1096095205 /nfs/dbraw/zinc/09/52/05/1096095205.db2.gz SWIHKAAPUHICAT-IBGZPJMESA-N 0 1 362.864 4.314 20 30 FIEDMN COCCCOc1cc(C)ccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000271887218 1096137829 /nfs/dbraw/zinc/13/78/29/1096137829.db2.gz QZCPTUZMUSAXIA-GOSISDBHSA-N 0 1 368.477 4.164 20 30 FIEDMN Cc1sc(NC(=O)CN[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)c(C#N)c1C ZINC000503377272 1096379230 /nfs/dbraw/zinc/37/92/30/1096379230.db2.gz PWOQLJBVMKSGAY-JEOXALJRSA-N 0 1 373.909 4.353 20 30 FIEDMN N#CC1(NC(=O)c2ccc(C3CCC3)cc2)CCN(Cc2ccccc2)CC1 ZINC000515573894 1098716045 /nfs/dbraw/zinc/71/60/45/1098716045.db2.gz VXKUPLQOLKXQCB-UHFFFAOYSA-N 0 1 373.500 4.242 20 30 FIEDMN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000436287812 1098903792 /nfs/dbraw/zinc/90/37/92/1098903792.db2.gz CTDNFAGKBQVLQP-HBGVWJBISA-N 0 1 370.449 4.410 20 30 FIEDMN C[C@@H](C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000436467582 1099036103 /nfs/dbraw/zinc/03/61/03/1099036103.db2.gz DUFAZBIEVVIJLI-SSDLBLMSSA-N 0 1 351.649 4.397 20 30 FIEDMN N#Cc1cc(NC(=O)c2cc(Cl)ccc2O)ccc1OCC(F)(F)F ZINC000436788447 1099320660 /nfs/dbraw/zinc/32/06/60/1099320660.db2.gz ZIJOEXPBSWEFQB-UHFFFAOYSA-N 0 1 370.714 4.111 20 30 FIEDMN COc1ccc(CNCc2ccccc2OCc2ccccc2)cc1C#N ZINC000237445057 1099535956 /nfs/dbraw/zinc/53/59/56/1099535956.db2.gz NLGVWUQDGLXDIE-UHFFFAOYSA-N 0 1 358.441 4.436 20 30 FIEDMN CCC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)c(Cl)c1 ZINC000516499420 1099545513 /nfs/dbraw/zinc/54/55/13/1099545513.db2.gz CBIURNNQDLBDEN-WMZOPIPTSA-N 0 1 370.324 4.479 20 30 FIEDMN N#Cc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)ccc1F ZINC000505959402 1099581378 /nfs/dbraw/zinc/58/13/78/1099581378.db2.gz GPXHAKJLWOCROX-NRFANRHFSA-N 0 1 370.387 4.093 20 30 FIEDMN C=CCN(Cc1ccc(Cl)s1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000506101509 1100083510 /nfs/dbraw/zinc/08/35/10/1100083510.db2.gz QZJUXFDJRFOLOH-UHFFFAOYSA-N 0 1 358.898 4.479 20 30 FIEDMN FC(F)(F)[C@H]1CCN(CC#Cc2cccc(Cl)c2)CC12CCOCC2 ZINC000459651965 1100393142 /nfs/dbraw/zinc/39/31/42/1100393142.db2.gz BEIMRSIOGBITRK-KRWDZBQOSA-N 0 1 371.830 4.373 20 30 FIEDMN C=C(CC)CN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000536880342 1100406053 /nfs/dbraw/zinc/40/60/53/1100406053.db2.gz BOHVVLYFNSEACG-IBGZPJMESA-N 0 1 363.910 4.389 20 30 FIEDMN C=C(CC)CN[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000536881083 1100407897 /nfs/dbraw/zinc/40/78/97/1100407897.db2.gz HBBPEINADACFJS-LJQANCHMSA-N 0 1 365.445 4.014 20 30 FIEDMN COc1ccc(CCC2CCN(Cc3cnc4ccc(C#N)cn34)CC2)cc1 ZINC000506248080 1100686300 /nfs/dbraw/zinc/68/63/00/1100686300.db2.gz UVILDNKDCYKHNC-UHFFFAOYSA-N 0 1 374.488 4.059 20 30 FIEDMN COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3cccc(C#N)c3)ccc2c1 ZINC000017307341 1101034193 /nfs/dbraw/zinc/03/41/93/1101034193.db2.gz DMMAJQSTQZZKKL-INIZCTEOSA-N 0 1 373.456 4.179 20 30 FIEDMN Cn1cc(CN2Cc3ccccc3OC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000518251056 1101039464 /nfs/dbraw/zinc/03/94/64/1101039464.db2.gz PHDUGCCNDWCOFM-UHFFFAOYSA-N 0 1 372.472 4.132 20 30 FIEDMN Cc1cc(C#N)ccc1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000439053470 1101119446 /nfs/dbraw/zinc/11/94/46/1101119446.db2.gz XGBXPYWVFHJLSH-FQEVSTJZSA-N 0 1 367.880 4.087 20 30 FIEDMN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000518407525 1101175007 /nfs/dbraw/zinc/17/50/07/1101175007.db2.gz ZHPUPEBPMTUPFM-DENIHFKCSA-N 0 1 363.505 4.220 20 30 FIEDMN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1cc2cccc(F)c2o1 ZINC000475701577 1101318196 /nfs/dbraw/zinc/31/81/96/1101318196.db2.gz QPMNCEUINYQNQH-HNNXBMFYSA-N 0 1 365.408 4.169 20 30 FIEDMN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1cc2cccc(F)c2o1 ZINC000475701819 1101350309 /nfs/dbraw/zinc/35/03/09/1101350309.db2.gz LQLSSHAIZMLGNM-LLVKDONJSA-N 0 1 371.799 4.386 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000537050069 1101427004 /nfs/dbraw/zinc/42/70/04/1101427004.db2.gz BFOHDSLVNPHRBS-HNNXBMFYSA-N 0 1 354.450 4.213 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1C(F)(F)F ZINC000140348637 1101604960 /nfs/dbraw/zinc/60/49/60/1101604960.db2.gz IMGFOZWEDNBURF-OLZOCXBDSA-N 0 1 361.367 4.255 20 30 FIEDMN CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1ccccc1C#N ZINC000054392967 1101778364 /nfs/dbraw/zinc/77/83/64/1101778364.db2.gz RDVCAJVXBOQAET-UHFFFAOYSA-N 0 1 362.452 4.162 20 30 FIEDMN COc1cc(F)c(C(C)N=Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000760223047 1101852513 /nfs/dbraw/zinc/85/25/13/1101852513.db2.gz BDMLSZAOVGEJKM-UHFFFAOYSA-N 0 1 357.307 4.093 20 30 FIEDMN C=CCc1cc(CN(Cc2cccs2)C[C@H]2CCCO2)cc(OC)c1O ZINC000506709132 1101874905 /nfs/dbraw/zinc/87/49/05/1101874905.db2.gz YDUGICHIGLNAQF-GOSISDBHSA-N 0 1 373.518 4.372 20 30 FIEDMN N#CCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000506719375 1101906773 /nfs/dbraw/zinc/90/67/73/1101906773.db2.gz MVQHJJSOBODMOF-UHFFFAOYSA-N 0 1 374.771 4.226 20 30 FIEDMN N#Cc1ccc(NC(=O)CCN2CC[C@H]2c2cccc(F)c2)cc1Cl ZINC000610505473 1102072041 /nfs/dbraw/zinc/07/20/41/1102072041.db2.gz MBUUOYBOSCINQK-SFHVURJKSA-N 0 1 357.816 4.126 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H]1c1cccs1 ZINC000042356216 1102361070 /nfs/dbraw/zinc/36/10/70/1102361070.db2.gz UAWPZZHKWDGFQB-CRAIPNDOSA-N 0 1 371.481 4.359 20 30 FIEDMN N#Cc1ccc(CN2CCC(c3ccncc3)CC2)c(Br)c1 ZINC000191670623 1102376557 /nfs/dbraw/zinc/37/65/57/1102376557.db2.gz AEIOTBQULHTYQB-UHFFFAOYSA-N 0 1 356.267 4.095 20 30 FIEDMN C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000532569713 1102493157 /nfs/dbraw/zinc/49/31/57/1102493157.db2.gz QRDXKMFQYGKXLU-UHFFFAOYSA-N 0 1 363.436 4.212 20 30 FIEDMN N#CCCC[C@@H]([NH2+]Cc1ncc(Br)cc1[O-])c1ccccc1 ZINC000894606201 1102620033 /nfs/dbraw/zinc/62/00/33/1102620033.db2.gz HJHILMFBIYKBPZ-OAHLLOKOSA-N 0 1 360.255 4.074 20 30 FIEDMN CC[C@@](C)(C#N)C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000506859571 1102887758 /nfs/dbraw/zinc/88/77/58/1102887758.db2.gz FPGCKCIDIDATFO-FQEVSTJZSA-N 0 1 350.397 4.171 20 30 FIEDMN COc1ccc(-c2ccncc2)cc1CNC1(c2cccc(C#N)c2)CC1 ZINC000551229929 1103002674 /nfs/dbraw/zinc/00/26/74/1103002674.db2.gz BQKMPDWKSDOKKZ-UHFFFAOYSA-N 0 1 355.441 4.408 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccccc2OCC)no1 ZINC001211976025 1103139470 /nfs/dbraw/zinc/13/94/70/1103139470.db2.gz XKLHWOFYOUOXFG-WMZOPIPTSA-N 0 1 373.497 4.213 20 30 FIEDMN CN(C)[C@H]1CCOc2c(NC(=O)c3ccc(C(C)(C)C#N)cc3)cccc21 ZINC000477147147 1103168975 /nfs/dbraw/zinc/16/89/75/1103168975.db2.gz APZSUQDBYLKADN-IBGZPJMESA-N 0 1 363.461 4.125 20 30 FIEDMN Fc1ccc(C#CCN[C@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000551417282 1103195802 /nfs/dbraw/zinc/19/58/02/1103195802.db2.gz YTXYGGIYAIYIDK-SFHVURJKSA-N 0 1 359.242 4.076 20 30 FIEDMN CN(Cc1cccc(C#N)c1)CC1=Cc2cc(Br)ccc2OC1 ZINC000507223246 1103228990 /nfs/dbraw/zinc/22/89/90/1103228990.db2.gz YZFHPZZXBAGVRW-UHFFFAOYSA-N 0 1 369.262 4.229 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2Nc2ccccc2)cc1F ZINC000427260608 1103387677 /nfs/dbraw/zinc/38/76/77/1103387677.db2.gz ONSXBCDQJGRGNZ-UHFFFAOYSA-N 0 1 367.405 4.242 20 30 FIEDMN CCOc1cc(CNC2(c3cccc(C#N)c3)CC2)ccc1OC(F)F ZINC000551580754 1103409816 /nfs/dbraw/zinc/40/98/16/1103409816.db2.gz XLZRGIVZDQPBBY-UHFFFAOYSA-N 0 1 358.388 4.337 20 30 FIEDMN CCOc1ccc(N(CCC#N)C(=O)CN(C)CCC2CCCCC2)cc1 ZINC000507595282 1103507630 /nfs/dbraw/zinc/50/76/30/1103507630.db2.gz FQVHRLLOGINSPM-UHFFFAOYSA-N 0 1 371.525 4.234 20 30 FIEDMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000551713612 1103550536 /nfs/dbraw/zinc/55/05/36/1103550536.db2.gz FUZRZPJUPFHHNR-MRXNPFEDSA-N 0 1 373.456 4.103 20 30 FIEDMN CSc1ccccc1[C@H](C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000440628646 1103832741 /nfs/dbraw/zinc/83/27/41/1103832741.db2.gz WHQMSRRHFCONBJ-INIZCTEOSA-N 0 1 353.491 4.006 20 30 FIEDMN N#Cc1cccc(-c2nnc(CN3CCC[C@H](Cc4ccccc4)C3)o2)c1 ZINC000441314076 1104272243 /nfs/dbraw/zinc/27/22/43/1104272243.db2.gz HQHUGIZUYWJTIC-LJQANCHMSA-N 0 1 358.445 4.063 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(C)c(Br)c3)[nH]c21 ZINC000473951166 1104465589 /nfs/dbraw/zinc/46/55/89/1104465589.db2.gz RIJLJSPOULHGFW-CYBMUJFWSA-N 0 1 368.234 4.432 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)Nc3ccc4nc(C)sc4c3)C2)n[nH]1 ZINC000328683598 1104536595 /nfs/dbraw/zinc/53/65/95/1104536595.db2.gz PIMMMTXXPMNMPH-ZDUSSCGKSA-N 0 1 355.467 4.061 20 30 FIEDMN Cc1cc([C@H]2CCCN(C([O-])=[NH+]CC3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000328739692 1104546180 /nfs/dbraw/zinc/54/61/80/1104546180.db2.gz MRXAYOITSHZHHK-HNNXBMFYSA-N 0 1 372.900 4.197 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)NCC3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000328739692 1104546190 /nfs/dbraw/zinc/54/61/90/1104546190.db2.gz MRXAYOITSHZHHK-HNNXBMFYSA-N 0 1 372.900 4.197 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CC[C@H](c4ccc(F)cc4)C3)C2)[nH]n1 ZINC000328754313 1104549673 /nfs/dbraw/zinc/54/96/73/1104549673.db2.gz SLXCRAMQUCZSMV-YQVWRLOYSA-N 0 1 370.472 4.287 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H](c4ccc(F)cc4)C3)C2)[nH]n1 ZINC000328754313 1104549684 /nfs/dbraw/zinc/54/96/84/1104549684.db2.gz SLXCRAMQUCZSMV-YQVWRLOYSA-N 0 1 370.472 4.287 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)C2)n[nH]1 ZINC000328762833 1104552294 /nfs/dbraw/zinc/55/22/94/1104552294.db2.gz ZAADLDTWZHTHLZ-YLJYHZDGSA-N 0 1 370.472 4.492 20 30 FIEDMN [O-]C(=[NH+]C[C@H]1CCCn2ccnc21)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000328731116 1104558450 /nfs/dbraw/zinc/55/84/50/1104558450.db2.gz IJXJEIKVDRDTKA-YSTOQKLRSA-N 0 1 364.493 4.085 20 30 FIEDMN C[C@H]1CCC[C@@H](CC(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)C1 ZINC000328839320 1104574683 /nfs/dbraw/zinc/57/46/83/1104574683.db2.gz OFWMUCJCFLZYBW-ZWKOTPCHSA-N 0 1 371.525 4.269 20 30 FIEDMN O=C(Nc1cccc(CSC2CCCC2)c1)[C@H]1CCc2[nH]nnc2C1 ZINC000328988887 1104612023 /nfs/dbraw/zinc/61/20/23/1104612023.db2.gz CMJWZSMUXCZOLK-AWEZNQCLSA-N 0 1 356.495 4.374 20 30 FIEDMN O=C(Nc1cccc(CSC2CCCC2)c1)[C@H]1CCc2nn[nH]c2C1 ZINC000328988887 1104612033 /nfs/dbraw/zinc/61/20/33/1104612033.db2.gz CMJWZSMUXCZOLK-AWEZNQCLSA-N 0 1 356.495 4.374 20 30 FIEDMN C=CC[C@H](C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1ccccc1 ZINC000188940049 1104770857 /nfs/dbraw/zinc/77/08/57/1104770857.db2.gz YNODTOPDNDRSBK-VQTJNVASSA-N 0 1 352.478 4.201 20 30 FIEDMN N#Cc1cc(CN[C@H](CC2CC2)c2cc(F)cc(Br)c2)ccn1 ZINC000614605459 1105023306 /nfs/dbraw/zinc/02/33/06/1105023306.db2.gz DNXZUROTDQLJNT-GOSISDBHSA-N 0 1 374.257 4.486 20 30 FIEDMN COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000438620693 1105113302 /nfs/dbraw/zinc/11/33/02/1105113302.db2.gz BKRXCNICBAKUFL-INIZCTEOSA-N 0 1 367.518 4.282 20 30 FIEDMN N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000475356746 1106753809 /nfs/dbraw/zinc/75/38/09/1106753809.db2.gz VYLQBFCXHBXJKO-NRFANRHFSA-N 0 1 364.880 4.204 20 30 FIEDMN N#CC[C@@H](CC(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 ZINC000530369021 1106988100 /nfs/dbraw/zinc/98/81/00/1106988100.db2.gz KQFQLPTVYRPYHU-HNNXBMFYSA-N 0 1 365.824 4.151 20 30 FIEDMN C=CCN1CCC(Nc2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC000301532536 1107059670 /nfs/dbraw/zinc/05/96/70/1107059670.db2.gz PYMXALMNFCHHNE-UHFFFAOYSA-N 0 1 353.253 4.106 20 30 FIEDMN N#C[C@@H](C(=O)c1cccc(Oc2cnccn2)c1)c1nc2ccccc2s1 ZINC000523048200 1107302437 /nfs/dbraw/zinc/30/24/37/1107302437.db2.gz HCOJAOVKCCHFKS-HNNXBMFYSA-N 0 1 372.409 4.369 20 30 FIEDMN N#CC(C(=O)c1cccc(Oc2cnccn2)c1)c1nc2ccccc2s1 ZINC000523048200 1107302454 /nfs/dbraw/zinc/30/24/54/1107302454.db2.gz HCOJAOVKCCHFKS-HNNXBMFYSA-N 0 1 372.409 4.369 20 30 FIEDMN N#CC1(CCCN2CCCC[C@H]2c2nc3ccccc3[nH]2)CCOCC1 ZINC000451880959 1107358071 /nfs/dbraw/zinc/35/80/71/1107358071.db2.gz XJQFDLWNAYVTQF-IBGZPJMESA-N 0 1 352.482 4.190 20 30 FIEDMN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1c1ccc(F)cc1F ZINC000451965330 1107396766 /nfs/dbraw/zinc/39/67/66/1107396766.db2.gz CPEUWCCRKDOJMX-IBGZPJMESA-N 0 1 355.388 4.002 20 30 FIEDMN C=CCCC1(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)CC1 ZINC000475467411 1107429066 /nfs/dbraw/zinc/42/90/66/1107429066.db2.gz KSCRSQXALMSWCP-UHFFFAOYSA-N 0 1 369.509 4.186 20 30 FIEDMN C[C@@]1(CCc2ccccc2)CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000531202325 1107646682 /nfs/dbraw/zinc/64/66/82/1107646682.db2.gz HGBKIQKJVVQDKR-HSZRJFAPSA-N 0 1 372.472 4.453 20 30 FIEDMN Cc1ccncc1CN(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000475565444 1107750604 /nfs/dbraw/zinc/75/06/04/1107750604.db2.gz PQXMCFKGHWJTPU-UHFFFAOYSA-N 0 1 357.457 4.473 20 30 FIEDMN N#Cc1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000440750033 1108734663 /nfs/dbraw/zinc/73/46/63/1108734663.db2.gz CXFSHEGRBJXEBV-KRWDZBQOSA-N 0 1 350.809 4.065 20 30 FIEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000021918183 1109012336 /nfs/dbraw/zinc/01/23/36/1109012336.db2.gz CHPHJMWZPKZGHM-KRWDZBQOSA-N 0 1 355.526 4.147 20 30 FIEDMN Cc1cc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n[nH]1 ZINC000446005375 1109068856 /nfs/dbraw/zinc/06/88/56/1109068856.db2.gz YMTKEPGRIXWVBV-UHFFFAOYSA-N 0 1 366.808 4.217 20 30 FIEDMN C=C(C)CN(CC)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000524671902 1109122187 /nfs/dbraw/zinc/12/21/87/1109122187.db2.gz GZCDLCUXJXTDSU-UHFFFAOYSA-N 0 1 363.933 4.160 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)CCC2CC2)c1C#N ZINC000441231110 1109483174 /nfs/dbraw/zinc/48/31/74/1109483174.db2.gz KNHDGAZQPQDLEF-UHFFFAOYSA-N 0 1 356.514 4.152 20 30 FIEDMN CC[C@H](N[C@H](CCO)c1ccccc1Br)c1ccc(C#N)cc1 ZINC000447605799 1109600282 /nfs/dbraw/zinc/60/02/82/1109600282.db2.gz KFESFXVICNEOPI-RBUKOAKNSA-N 0 1 373.294 4.485 20 30 FIEDMN CCc1nn(-c2ccccc2)c(CC)c1CNCc1ccc(C#N)s1 ZINC000447896969 1109670875 /nfs/dbraw/zinc/67/08/75/1109670875.db2.gz KOVWZINYEQUUNC-UHFFFAOYSA-N 0 1 350.491 4.220 20 30 FIEDMN CN(Cc1cccc(OCCCC#N)c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000449458100 1110077011 /nfs/dbraw/zinc/07/70/11/1110077011.db2.gz VMCWMGZRPINHLD-HXUWFJFHSA-N 0 1 358.869 4.188 20 30 FIEDMN CN(C)C[C@@H](NCc1ccc(F)cc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000528763802 1110105973 /nfs/dbraw/zinc/10/59/73/1110105973.db2.gz JCVXJUJEEOIHNG-GOSISDBHSA-N 0 1 366.267 4.397 20 30 FIEDMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000528921896 1110152455 /nfs/dbraw/zinc/15/24/55/1110152455.db2.gz WOWQDLUVFQMWIT-ITNCUTESSA-N 0 1 374.440 4.418 20 30 FIEDMN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)[C@H]1C1CC1 ZINC000528921900 1110152513 /nfs/dbraw/zinc/15/25/13/1110152513.db2.gz WOWQDLUVFQMWIT-ULQLWLPVSA-N 0 1 374.440 4.418 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(O[C@@H]4CC4(F)F)cc3)[nH]c21 ZINC000528954700 1110157599 /nfs/dbraw/zinc/15/75/99/1110157599.db2.gz UVCTUANKVMCGQE-GOEBONIOSA-N 0 1 367.355 4.148 20 30 FIEDMN Cc1noc2nc(C(C)C)cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)c12 ZINC000102115792 1110187855 /nfs/dbraw/zinc/18/78/55/1110187855.db2.gz SMKFZGDRHYDKDC-CYBMUJFWSA-N 0 1 359.389 4.021 20 30 FIEDMN Cc1noc2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)c12 ZINC000102115792 1110187857 /nfs/dbraw/zinc/18/78/57/1110187857.db2.gz SMKFZGDRHYDKDC-CYBMUJFWSA-N 0 1 359.389 4.021 20 30 FIEDMN C=C(C)COc1cc(CNc2cnccc2-n2cc(C)cn2)ccc1OC ZINC000538421279 1111126709 /nfs/dbraw/zinc/12/67/09/1111126709.db2.gz QHRVDEOEOJKJHL-UHFFFAOYSA-N 0 1 364.449 4.151 20 30 FIEDMN C=CCOc1ccccc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000538659604 1111237424 /nfs/dbraw/zinc/23/74/24/1111237424.db2.gz BYEORRQHJPZUJN-UHFFFAOYSA-N 0 1 370.412 4.442 20 30 FIEDMN N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000538668271 1111239904 /nfs/dbraw/zinc/23/99/04/1111239904.db2.gz TZHLSWWIBCPDLA-QGZVFWFLSA-N 0 1 367.472 4.243 20 30 FIEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000538668271 1111239907 /nfs/dbraw/zinc/23/99/07/1111239907.db2.gz TZHLSWWIBCPDLA-QGZVFWFLSA-N 0 1 367.472 4.243 20 30 FIEDMN CC(NCC(=O)Nc1cccc(C#N)c1)(c1ccccc1)c1ccccc1 ZINC000539307519 1111515591 /nfs/dbraw/zinc/51/55/91/1111515591.db2.gz LWALSVRHQHSFTO-UHFFFAOYSA-N 0 1 355.441 4.050 20 30 FIEDMN C=CCCCN[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000462175283 1111526944 /nfs/dbraw/zinc/52/69/44/1111526944.db2.gz JZWVUKNQBIQKOS-IBGZPJMESA-N 0 1 365.445 4.014 20 30 FIEDMN Cn1cc([C@H](NCC#Cc2ccc(OC(F)(F)F)cc2)C(C)(C)C)cn1 ZINC000539379631 1111544238 /nfs/dbraw/zinc/54/42/38/1111544238.db2.gz ZCIYLLQVQVDNNV-KRWDZBQOSA-N 0 1 365.399 4.047 20 30 FIEDMN C=CCOc1ccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2Cl)cc1 ZINC000552091688 1111572153 /nfs/dbraw/zinc/57/21/53/1111572153.db2.gz VNXJKONEMRNBTF-HNNXBMFYSA-N 0 1 368.868 4.336 20 30 FIEDMN Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 ZINC000041562521 1111668420 /nfs/dbraw/zinc/66/84/20/1111668420.db2.gz HIVFQOAWYSYJBF-HNNXBMFYSA-N 0 1 366.421 4.155 20 30 FIEDMN Cc1nc(-c2ccc(F)cc2)sc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000041562521 1111668425 /nfs/dbraw/zinc/66/84/25/1111668425.db2.gz HIVFQOAWYSYJBF-HNNXBMFYSA-N 0 1 366.421 4.155 20 30 FIEDMN C[C@H](NC(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CC1 ZINC000478237370 1111726910 /nfs/dbraw/zinc/72/69/10/1111726910.db2.gz YZAISKMBYXCFPI-ZAERKDKDSA-N 0 1 369.534 4.133 20 30 FIEDMN Cc1sc(NC(=O)CN(C2CC2)[C@@H]2CCc3ccccc32)c(C#N)c1C ZINC000478973264 1111924386 /nfs/dbraw/zinc/92/43/86/1111924386.db2.gz SSDBIBLUZYQALP-LJQANCHMSA-N 0 1 365.502 4.327 20 30 FIEDMN N#CC1(NC(=O)CCCC2CCCCC2)CCN(Cc2ccccc2)CC1 ZINC000479208850 1111968716 /nfs/dbraw/zinc/96/87/16/1111968716.db2.gz BAFVWSKOWUTMNT-UHFFFAOYSA-N 0 1 367.537 4.412 20 30 FIEDMN N#CC1(NC(=O)c2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1 ZINC000479242294 1111972711 /nfs/dbraw/zinc/97/27/11/1111972711.db2.gz JXIBDIDXVDKIAJ-UHFFFAOYSA-N 0 1 369.468 4.128 20 30 FIEDMN C[C@@H](NCc1ccc(Br)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000554114914 1112207798 /nfs/dbraw/zinc/20/77/98/1112207798.db2.gz WIVLVGKAAWDLRP-SNVBAGLBSA-N 0 1 351.194 4.450 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3c3ccc(C(F)(F)F)c(C#N)n3)[nH]c2c1 ZINC000554523786 1112389645 /nfs/dbraw/zinc/38/96/45/1112389645.db2.gz JROXZLHFYRXADF-INIZCTEOSA-N 0 1 371.366 4.498 20 30 FIEDMN CC(C)c1csc(C(C#N)=C([O-])c2cc(N(C)C)c3ccccc3[nH+]2)n1 ZINC000555064392 1112643543 /nfs/dbraw/zinc/64/35/43/1112643543.db2.gz VOBNWFYQPNJYMS-AWEZNQCLSA-N 0 1 364.474 4.371 20 30 FIEDMN C[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[C@@H]1c1ccccc1 ZINC000555146980 1112694369 /nfs/dbraw/zinc/69/43/69/1112694369.db2.gz HZMFQRBZLDWKMH-UGKGYDQZSA-N 0 1 361.489 4.059 20 30 FIEDMN C[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[C@@H]1c1ccccc1 ZINC000555146977 1112694462 /nfs/dbraw/zinc/69/44/62/1112694462.db2.gz HZMFQRBZLDWKMH-KNQAVFIVSA-N 0 1 361.489 4.059 20 30 FIEDMN C=CCOCCN[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000555424182 1112829352 /nfs/dbraw/zinc/82/93/52/1112829352.db2.gz OCWNPCZUVOMFSG-GFCCVEGCSA-N 0 1 367.312 4.426 20 30 FIEDMN N#CC(C(=O)[C@@H]1COCC[C@@H]1c1ccccc1)c1nccc2ccccc21 ZINC000842347497 1113048904 /nfs/dbraw/zinc/04/89/04/1113048904.db2.gz XHRALXWCFPIPGX-HMXCVIKNSA-N 0 1 356.425 4.231 20 30 FIEDMN N#CC1(c2ccc(CN3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)CC1 ZINC000668084228 1113305577 /nfs/dbraw/zinc/30/55/77/1113305577.db2.gz DJYQFHNDYDRTAE-UHFFFAOYSA-N 0 1 362.448 4.476 20 30 FIEDMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCC(C)(C)CCC#N)c1 ZINC000482625797 1113317079 /nfs/dbraw/zinc/31/70/79/1113317079.db2.gz XLCRGLAMKUKMOW-MRXNPFEDSA-N 0 1 374.504 4.380 20 30 FIEDMN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000482916312 1113395666 /nfs/dbraw/zinc/39/56/66/1113395666.db2.gz GHUXGJJOUVIHJU-SFHVURJKSA-N 0 1 373.416 4.273 20 30 FIEDMN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000482916306 1113395687 /nfs/dbraw/zinc/39/56/87/1113395687.db2.gz GHUXGJJOUVIHJU-GOSISDBHSA-N 0 1 373.416 4.273 20 30 FIEDMN C=C(C)COc1cc(CN[C@H](CO)c2ccc(CC)cc2)ccc1OC ZINC000160757597 1113446838 /nfs/dbraw/zinc/44/68/38/1113446838.db2.gz KFDBEUHZNNRHBZ-HXUWFJFHSA-N 0 1 355.478 4.036 20 30 FIEDMN N#C[C@H](C(=O)c1ccn(-c2ccccc2F)n1)c1nccc2ccccc21 ZINC000483192614 1113463920 /nfs/dbraw/zinc/46/39/20/1113463920.db2.gz DGDXOJBVBSVZKG-INIZCTEOSA-N 0 1 356.360 4.050 20 30 FIEDMN N#CC(C(=O)c1ccn(-c2ccccc2F)n1)c1nccc2ccccc21 ZINC000483192614 1113463923 /nfs/dbraw/zinc/46/39/23/1113463923.db2.gz DGDXOJBVBSVZKG-INIZCTEOSA-N 0 1 356.360 4.050 20 30 FIEDMN N#C[C@@H](C(=O)c1cnc(Oc2ccccc2)cn1)c1nccc2ccccc21 ZINC000483232197 1113472297 /nfs/dbraw/zinc/47/22/97/1113472297.db2.gz GOPKLEIVGRCTDS-GOSISDBHSA-N 0 1 366.380 4.307 20 30 FIEDMN N#CC(C(=O)c1cnc(Oc2ccccc2)cn1)c1nccc2ccccc21 ZINC000483232197 1113472299 /nfs/dbraw/zinc/47/22/99/1113472299.db2.gz GOPKLEIVGRCTDS-GOSISDBHSA-N 0 1 366.380 4.307 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)c1C#N ZINC000027136742 1113517626 /nfs/dbraw/zinc/51/76/26/1113517626.db2.gz DDFHZLKBCKXHHM-INIZCTEOSA-N 0 1 358.530 4.397 20 30 FIEDMN N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc4nc[nH]c4c3)c2)cc1 ZINC000486710228 1113627530 /nfs/dbraw/zinc/62/75/30/1113627530.db2.gz AWABXOZXVPEYGJ-UHFFFAOYSA-N 0 1 354.369 4.479 20 30 FIEDMN CCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000488517212 1113948256 /nfs/dbraw/zinc/94/82/56/1113948256.db2.gz UERYVXPWEIXGSG-CQSZACIVSA-N 0 1 371.868 4.069 20 30 FIEDMN C=CCC(CC=C)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000911252682 1113960873 /nfs/dbraw/zinc/96/08/73/1113960873.db2.gz TXZZPTBVYABREG-IBGZPJMESA-N 0 1 355.869 4.306 20 30 FIEDMN COc1cccc(OC)c1OC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000490336063 1114269092 /nfs/dbraw/zinc/26/90/92/1114269092.db2.gz IXXLTOOILVNWEM-MRXNPFEDSA-N 0 1 366.461 4.180 20 30 FIEDMN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(Br)cc1F ZINC000586788663 1114394074 /nfs/dbraw/zinc/39/40/74/1114394074.db2.gz WPNLNNGNJHHYBG-SNVBAGLBSA-N 0 1 351.194 4.450 20 30 FIEDMN CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000055152113 1114421863 /nfs/dbraw/zinc/42/18/63/1114421863.db2.gz ZDGHNZHCDMJWFP-HOTGVXAUSA-N 0 1 351.450 4.023 20 30 FIEDMN N#CCCCCCC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000588157392 1114530311 /nfs/dbraw/zinc/53/03/11/1114530311.db2.gz MQIPGXFVUABGMG-IBGZPJMESA-N 0 1 361.917 4.285 20 30 FIEDMN CC(C)N(Cc1cccs1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000572208179 1114622385 /nfs/dbraw/zinc/62/23/85/1114622385.db2.gz YHPHFOPZKOJBTM-IBGZPJMESA-N 0 1 353.491 4.026 20 30 FIEDMN N#CC1(CCCN2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CCOCC1 ZINC000590741496 1114971481 /nfs/dbraw/zinc/97/14/81/1114971481.db2.gz PBZITNSGTYGLLA-SFHVURJKSA-N 0 1 372.900 4.454 20 30 FIEDMN C=CCOc1ccc(CN[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000573586988 1115144146 /nfs/dbraw/zinc/14/41/46/1115144146.db2.gz VJZWZDRXFMBXEV-OAHLLOKOSA-N 0 1 356.422 4.409 20 30 FIEDMN Cc1ccc2cc([C@H](C)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc2c1 ZINC000573871702 1115193494 /nfs/dbraw/zinc/19/34/94/1115193494.db2.gz RHWDNJLDZXHOES-OXJNMPFZSA-N 0 1 373.456 4.065 20 30 FIEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000592824375 1115267364 /nfs/dbraw/zinc/26/73/64/1115267364.db2.gz IXMBBFCMUKWFFO-YPMHNXCESA-N 0 1 363.914 4.113 20 30 FIEDMN CC(=O)Nc1cc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)ccc1F ZINC000592974452 1115272695 /nfs/dbraw/zinc/27/26/95/1115272695.db2.gz XPHHTZVCUKNXFT-GFCCVEGCSA-N 0 1 371.368 4.023 20 30 FIEDMN CN1CCN(CCOc2ccc(-c3cc(C#N)cc4ccccc43)cc2)CC1 ZINC000592987450 1115278655 /nfs/dbraw/zinc/27/86/55/1115278655.db2.gz UNFYJCPTZMLIEP-UHFFFAOYSA-N 0 1 371.484 4.005 20 30 FIEDMN CC[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1F ZINC000593065068 1115280170 /nfs/dbraw/zinc/28/01/70/1115280170.db2.gz RMVXCKBTNZJCHD-PXAZEXFGSA-N 0 1 371.481 4.315 20 30 FIEDMN CC(C)N(CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(Cl)c1 ZINC000059038134 1115402702 /nfs/dbraw/zinc/40/27/02/1115402702.db2.gz HMAKSHZPGMZCTD-UHFFFAOYSA-N 0 1 369.896 4.497 20 30 FIEDMN CCOc1ccc2c(c1)[C@@H](NCc1ccc(C(C)(C)C#N)cc1)CCO2 ZINC000594499469 1115450697 /nfs/dbraw/zinc/45/06/97/1115450697.db2.gz HPBKTXBRMJLXQC-FQEVSTJZSA-N 0 1 350.462 4.500 20 30 FIEDMN Cc1nc2cc(NCc3ccc(C(C)(C)C#N)cc3)ccc2n1[C@@H](C)CO ZINC000594506546 1115452393 /nfs/dbraw/zinc/45/23/93/1115452393.db2.gz BIKGGEBGBABIAU-HNNXBMFYSA-N 0 1 362.477 4.311 20 30 FIEDMN N#Cc1cccc(C2(NCc3cnc(C4CCCC4)s3)CCOCC2)c1 ZINC000594985049 1115505675 /nfs/dbraw/zinc/50/56/75/1115505675.db2.gz UBNOKZPADHCCFM-UHFFFAOYSA-N 0 1 367.518 4.468 20 30 FIEDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000595042816 1115511596 /nfs/dbraw/zinc/51/15/96/1115511596.db2.gz BXCQVEVQAJQAPH-ORAYPTAESA-N 0 1 351.406 4.203 20 30 FIEDMN CC(C)(NCC(=O)Nc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000595634889 1115552191 /nfs/dbraw/zinc/55/21/91/1115552191.db2.gz HGTNESTZVHDCMQ-UHFFFAOYSA-N 0 1 361.367 4.040 20 30 FIEDMN Cc1cc(OC[C@H](O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C(C)C)cc1Cl ZINC000595609964 1115553227 /nfs/dbraw/zinc/55/32/27/1115553227.db2.gz QYNAGNJQXNVRBB-DLBZAZTESA-N 0 1 364.917 4.137 20 30 FIEDMN N#Cc1ccsc1NC(=O)CCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595674483 1115556352 /nfs/dbraw/zinc/55/63/52/1115556352.db2.gz JUWOGNPIUIXQRU-KRWDZBQOSA-N 0 1 355.463 4.159 20 30 FIEDMN N#CCSc1ccccc1NC(=O)CN1CC[C@H](C2CCCCC2)C1 ZINC000595732159 1115559719 /nfs/dbraw/zinc/55/97/19/1115559719.db2.gz CQSFRAAJYDYTJP-KRWDZBQOSA-N 0 1 357.523 4.143 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595783968 1115563305 /nfs/dbraw/zinc/56/33/05/1115563305.db2.gz QEARKFUXALMDCX-SFHVURJKSA-N 0 1 363.299 4.102 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000596097534 1115572007 /nfs/dbraw/zinc/57/20/07/1115572007.db2.gz YTDQPUNAMFCUTI-RTWAWAEBSA-N 0 1 354.457 4.398 20 30 FIEDMN Cc1nc2cncc(NC3=C(c4ccccc4)C(=O)c4ccccc43)c2[nH]1 ZINC001168409146 1115591626 /nfs/dbraw/zinc/59/16/26/1115591626.db2.gz CCHZCWFWGCNOME-UHFFFAOYSA-N 0 1 352.397 4.443 20 30 FIEDMN C[C@@H](c1ccc(C#N)cc1)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000596605309 1115601609 /nfs/dbraw/zinc/60/16/09/1115601609.db2.gz LUDXGSODUZOQOR-AWEZNQCLSA-N 0 1 362.408 4.082 20 30 FIEDMN Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596990710 1115633823 /nfs/dbraw/zinc/63/38/23/1115633823.db2.gz BJAODPPMMVKNNI-OAQYLSRUSA-N 0 1 356.473 4.466 20 30 FIEDMN N#CC1(c2ccc(C[N@@H+](CCc3ccccn3)Cc3cccnc3)cc2)CC1 ZINC000597122410 1115641889 /nfs/dbraw/zinc/64/18/89/1115641889.db2.gz XTVIPOGZOFHXTG-UHFFFAOYSA-N 0 1 368.484 4.277 20 30 FIEDMN N#CC1(c2ccc(CN(CCc3ccccn3)Cc3cccnc3)cc2)CC1 ZINC000597122410 1115641891 /nfs/dbraw/zinc/64/18/91/1115641891.db2.gz XTVIPOGZOFHXTG-UHFFFAOYSA-N 0 1 368.484 4.277 20 30 FIEDMN Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC[C@@H](CC#N)C1 ZINC000597173320 1115646455 /nfs/dbraw/zinc/64/64/55/1115646455.db2.gz IOWPDSNDLAWPCW-KRWDZBQOSA-N 0 1 356.901 4.327 20 30 FIEDMN N#CC[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000597174582 1115647005 /nfs/dbraw/zinc/64/70/05/1115647005.db2.gz RIJIRPBVQQUGFP-SFHVURJKSA-N 0 1 357.461 4.060 20 30 FIEDMN C[C@H](CCC(C)(C)C)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593350485 1115664588 /nfs/dbraw/zinc/66/45/88/1115664588.db2.gz PAPHIUCJHVXIOQ-QGZVFWFLSA-N 0 1 370.541 4.037 20 30 FIEDMN Cc1c2ccccc2oc1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593352661 1115665186 /nfs/dbraw/zinc/66/51/86/1115665186.db2.gz KLEIAPMFLOWTNK-UHFFFAOYSA-N 0 1 373.456 4.007 20 30 FIEDMN CC(C)(C)CC(C)(C)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593511909 1115708601 /nfs/dbraw/zinc/70/86/01/1115708601.db2.gz GHPNQBORJHPRKI-UHFFFAOYSA-N 0 1 370.541 4.037 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3cc(Cl)ccc3C#N)CC2)c1 ZINC000593515760 1115710661 /nfs/dbraw/zinc/71/06/61/1115710661.db2.gz SCOFCDJBYHMPTI-UHFFFAOYSA-N 0 1 350.853 4.160 20 30 FIEDMN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000598621015 1115740539 /nfs/dbraw/zinc/74/05/39/1115740539.db2.gz QWLCRDQPBPIMTF-PBHICJAKSA-N 0 1 360.889 4.044 20 30 FIEDMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H]1c1cccs1 ZINC000598703162 1115745824 /nfs/dbraw/zinc/74/58/24/1115745824.db2.gz QCMZKHUGCAVNDL-RXCRORICSA-N 0 1 359.539 4.204 20 30 FIEDMN Cc1cc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)c(O)c(C(C)(C)C)c1 ZINC000761298834 1115769388 /nfs/dbraw/zinc/76/93/88/1115769388.db2.gz LUUGWQHDHIGNDL-OAQYLSRUSA-N 0 1 364.489 4.443 20 30 FIEDMN N#Cc1c(CSc2nc(C=Cc3ccccc3)n[nH]2)cn2ccccc12 ZINC000598953713 1115773005 /nfs/dbraw/zinc/77/30/05/1115773005.db2.gz URZWJTNZVQXFSL-KTKRTIGZSA-N 0 1 357.442 4.392 20 30 FIEDMN CCOc1cc(CNC2(c3ccc(C#N)cc3)CCC2)c(F)cc1OC ZINC000598980497 1115775116 /nfs/dbraw/zinc/77/51/16/1115775116.db2.gz HRLBNAAGHRAOLY-UHFFFAOYSA-N 0 1 354.425 4.274 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000129968821 1115803261 /nfs/dbraw/zinc/80/32/61/1115803261.db2.gz JKIOFZCTKPJABB-MOPGFXCFSA-N 0 1 374.488 4.161 20 30 FIEDMN Cn1ccnc1[C@H](Cc1ccccc1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000593723611 1115803592 /nfs/dbraw/zinc/80/35/92/1115803592.db2.gz ZXOCEYJARDWHOI-VXKWHMMOSA-N 0 1 356.473 4.243 20 30 FIEDMN CCCN(CC(=O)N[C@H](c1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000603681017 1115806233 /nfs/dbraw/zinc/80/62/33/1115806233.db2.gz BPWSCISCOWDEGM-QHCPKHFHSA-N 0 1 363.505 4.284 20 30 FIEDMN C[C@@H](CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC000603832793 1115819233 /nfs/dbraw/zinc/81/92/33/1115819233.db2.gz OAUSLZBBRLXPHZ-SFHVURJKSA-N 0 1 355.526 4.055 20 30 FIEDMN CC(C)(NCCC(=O)Nc1sccc1C#N)c1nc2ccccc2s1 ZINC000599536437 1115824337 /nfs/dbraw/zinc/82/43/37/1115824337.db2.gz XUJAGHHMWXWMEN-UHFFFAOYSA-N 0 1 370.503 4.083 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000604499595 1115868447 /nfs/dbraw/zinc/86/84/47/1115868447.db2.gz ZWPZWWZWDLAUCH-UHFFFAOYSA-N 0 1 367.493 4.291 20 30 FIEDMN COc1cccc(C(=O)/C(=C/c2ccc(O)c(Cl)c2)c2ncc[nH]2)c1 ZINC000171631081 1115873277 /nfs/dbraw/zinc/87/32/77/1115873277.db2.gz FIYRPRMBFPEEAL-DHDCSXOGSA-N 0 1 354.793 4.201 20 30 FIEDMN C[C@@H](c1ccc(C#N)cc1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000605316582 1115888820 /nfs/dbraw/zinc/88/88/20/1115888820.db2.gz OPSTZQPEVDYOPC-AWEZNQCLSA-N 0 1 354.400 4.492 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cc(C4CC4)n(C(C)(C)C)n3)[nH]c21 ZINC000605362648 1115891045 /nfs/dbraw/zinc/89/10/45/1115891045.db2.gz OCPBKMOOJOAQFT-CQSZACIVSA-N 0 1 361.449 4.190 20 30 FIEDMN C=CCN(CCc1ccccc1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000605402943 1115894055 /nfs/dbraw/zinc/89/40/55/1115894055.db2.gz NDDPQKWAPFOWSO-UHFFFAOYSA-N 0 1 357.457 4.118 20 30 FIEDMN Cc1ccnc([C@H]2CCN(Cc3ccc(C#N)cc3Br)C2)c1 ZINC000594008487 1115958868 /nfs/dbraw/zinc/95/88/68/1115958868.db2.gz QMUQYERDFLWESV-INIZCTEOSA-N 0 1 356.267 4.014 20 30 FIEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)COc1ccccc1C(C)C ZINC000063388209 1116058913 /nfs/dbraw/zinc/05/89/13/1116058913.db2.gz ZRJCKCOCTPPABW-OAQYLSRUSA-N 0 1 364.489 4.110 20 30 FIEDMN CCOc1ccc(NC(=O)C/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000063427726 1116064049 /nfs/dbraw/zinc/06/40/49/1116064049.db2.gz NKXMBUZXRIERMW-AWQFTUOYSA-N 0 1 367.232 4.155 20 30 FIEDMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075750272 1116079015 /nfs/dbraw/zinc/07/90/15/1116079015.db2.gz HQTSZYADHXREKW-KSSFIOAISA-N 0 1 362.408 4.125 20 30 FIEDMN CC(C)N(CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000063750893 1116105607 /nfs/dbraw/zinc/10/56/07/1116105607.db2.gz HZTRDGPUXKIZNM-MRXNPFEDSA-N 0 1 369.896 4.299 20 30 FIEDMN COc1ccc(CNCc2ccnc(O[C@H](C)CC(C)C)c2)cc1C#N ZINC000174375179 1116131599 /nfs/dbraw/zinc/13/15/99/1116131599.db2.gz XTRTWCCLVMEXOO-MRXNPFEDSA-N 0 1 353.466 4.065 20 30 FIEDMN C[C@H](CN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000608993053 1116141125 /nfs/dbraw/zinc/14/11/25/1116141125.db2.gz LARXVIAWMVHLOH-QGZVFWFLSA-N 0 1 369.896 4.322 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc([C@@H]4CCCOC4)c3)[nH]c21 ZINC000534306745 1116182675 /nfs/dbraw/zinc/18/26/75/1116182675.db2.gz CWZOFRAIHQANIV-MSOLQXFVSA-N 0 1 359.429 4.255 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cccc([C@@H]4CCCOC4)c3)[nH]c21 ZINC000534306746 1116182723 /nfs/dbraw/zinc/18/27/23/1116182723.db2.gz CWZOFRAIHQANIV-QZTJIDSGSA-N 0 1 359.429 4.255 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccncc2)s1)c1ccc(C(F)(F)F)cn1 ZINC000534927636 1116253226 /nfs/dbraw/zinc/25/32/26/1116253226.db2.gz FUTLSZWYASVEHY-GFCCVEGCSA-N 0 1 374.347 4.109 20 30 FIEDMN N#C[C@@H](C(=O)c1cnc(-c2ccncc2)s1)c1ccc(C(F)(F)F)cn1 ZINC000534927636 1116253227 /nfs/dbraw/zinc/25/32/27/1116253227.db2.gz FUTLSZWYASVEHY-GFCCVEGCSA-N 0 1 374.347 4.109 20 30 FIEDMN C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457362600 1116270169 /nfs/dbraw/zinc/27/01/69/1116270169.db2.gz LHYKMYRNOQXREE-DYVFJYSZSA-N 0 1 361.873 4.251 20 30 FIEDMN Cn1cc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c(-c2ccccc2)n1 ZINC000539407163 1116332496 /nfs/dbraw/zinc/33/24/96/1116332496.db2.gz JUTSTYDFULEQKW-YADHBBJMSA-N 0 1 356.473 4.359 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1O ZINC000443227728 1116391342 /nfs/dbraw/zinc/39/13/42/1116391342.db2.gz VNRPMSVYBHJSTI-UHFFFAOYSA-N 0 1 355.353 4.180 20 30 FIEDMN C=CCOc1cccc(CN[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000462727248 1116396082 /nfs/dbraw/zinc/39/60/82/1116396082.db2.gz BZMYEHMHNMJDKI-LJQANCHMSA-N 0 1 370.880 4.190 20 30 FIEDMN C=CCOCCCC(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000463133318 1117984145 /nfs/dbraw/zinc/98/41/45/1117984145.db2.gz SZWQPOXOEUTRFY-UHFFFAOYSA-N 0 1 371.387 4.429 20 30 FIEDMN N#Cc1cccc(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)c1 ZINC000463173280 1118004723 /nfs/dbraw/zinc/00/47/23/1118004723.db2.gz TTZHGPLWCTVBEI-UHFFFAOYSA-N 0 1 370.397 4.275 20 30 FIEDMN CC(C)Nc1ccc(Br)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000443319571 1118005405 /nfs/dbraw/zinc/00/54/05/1118005405.db2.gz JCQXGASEDINYEC-UHFFFAOYSA-N 0 1 374.238 4.099 20 30 FIEDMN CC(C)Sc1ccc([C@H](C)NCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000540402333 1118033907 /nfs/dbraw/zinc/03/39/07/1118033907.db2.gz JTVBKNSZCGRJLJ-HNNXBMFYSA-N 0 1 353.491 4.348 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc1O ZINC000443338136 1118058770 /nfs/dbraw/zinc/05/87/70/1118058770.db2.gz YTRWUYVSECEOBN-UHFFFAOYSA-N 0 1 365.776 4.357 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000540476063 1118077068 /nfs/dbraw/zinc/07/70/68/1118077068.db2.gz QBCFTOYEZFORGP-IBGZPJMESA-N 0 1 372.538 4.014 20 30 FIEDMN COc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1Br ZINC000540708055 1118196665 /nfs/dbraw/zinc/19/66/65/1118196665.db2.gz QATGBGWJXCYYKX-NSHDSACASA-N 0 1 363.230 4.319 20 30 FIEDMN N#Cc1nc(Sc2nc(-c3ccccc3F)n[nH]2)ccc1C(F)(F)F ZINC000443436204 1118345024 /nfs/dbraw/zinc/34/50/24/1118345024.db2.gz LJOGUXHKVZTJSC-UHFFFAOYSA-N 0 1 365.315 4.047 20 30 FIEDMN CN(Cc1ccc(CC#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000541283283 1118462820 /nfs/dbraw/zinc/46/28/20/1118462820.db2.gz ZJJJVIZUVKVOLD-MOPGFXCFSA-N 0 1 361.272 4.150 20 30 FIEDMN N#Cc1ccc(SCC(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc1 ZINC000609129016 1118480470 /nfs/dbraw/zinc/48/04/70/1118480470.db2.gz XLOFQFLPEDBODE-UHFFFAOYSA-N 0 1 374.425 4.425 20 30 FIEDMN CC[C@@H](C)Oc1cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)ccn1 ZINC000464463646 1118570976 /nfs/dbraw/zinc/57/09/76/1118570976.db2.gz BTHXNABMDJCOOL-BXUZGUMPSA-N 0 1 363.339 4.163 20 30 FIEDMN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000464764976 1118685618 /nfs/dbraw/zinc/68/56/18/1118685618.db2.gz JIRXKXJZAZWDQS-JPYJTQIMSA-N 0 1 363.505 4.401 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccn(Cc4ccccc4)c3)[nH]c21 ZINC000541945328 1118710907 /nfs/dbraw/zinc/71/09/07/1118710907.db2.gz PDHOFFHDHGSBTN-SFHVURJKSA-N 0 1 354.413 4.211 20 30 FIEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000464940154 1118765234 /nfs/dbraw/zinc/76/52/34/1118765234.db2.gz PHHGZBLCYKQQIX-QAPCUYQASA-N 0 1 362.458 4.050 20 30 FIEDMN Cc1ccnc(N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000542280555 1118880741 /nfs/dbraw/zinc/88/07/41/1118880741.db2.gz QEXWVHCTAJVNPQ-RTBURBONSA-N 0 1 356.420 4.176 20 30 FIEDMN N#Cc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(Cl)c1 ZINC000784340914 1118933287 /nfs/dbraw/zinc/93/32/87/1118933287.db2.gz SGAOMAFDDRTZMX-SFHVURJKSA-N 0 1 356.853 4.098 20 30 FIEDMN CCC(=O)c1ccc(OCCCCC(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176402391 1119003824 /nfs/dbraw/zinc/00/38/24/1119003824.db2.gz FGUJPWDWSCJGMI-UHFFFAOYSA-N 0 1 366.417 4.044 20 30 FIEDMN Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c(O[C@@H]2CCOC2)c1 ZINC000271974138 1119063611 /nfs/dbraw/zinc/06/36/11/1119063611.db2.gz VECMLAMJBUXRBH-DNVCBOLYSA-N 0 1 354.425 4.024 20 30 FIEDMN N#C[C@H](C(=O)c1ccn(C2CCCC2)n1)c1nc2ccccc2n1C(F)F ZINC000177694137 1119346786 /nfs/dbraw/zinc/34/67/86/1119346786.db2.gz MQQOVEASPQFASY-CYBMUJFWSA-N 0 1 369.375 4.233 20 30 FIEDMN N#CC(C(=O)c1ccn(C2CCCC2)n1)c1nc2ccccc2n1C(F)F ZINC000177694137 1119346790 /nfs/dbraw/zinc/34/67/90/1119346790.db2.gz MQQOVEASPQFASY-CYBMUJFWSA-N 0 1 369.375 4.233 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)n1 ZINC000177751097 1119349221 /nfs/dbraw/zinc/34/92/21/1119349221.db2.gz JBOMVXPAFMHVCB-ZYHUDNBSSA-N 0 1 371.487 4.189 20 30 FIEDMN Cc1ccc2nc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)[nH]c2c1 ZINC000006908923 1119462270 /nfs/dbraw/zinc/46/22/70/1119462270.db2.gz MVBSSOKYTJCYGM-OAHLLOKOSA-N 0 1 364.474 4.299 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2ccccn2)c2cc(Br)ccc2n1 ZINC000182710460 1119544924 /nfs/dbraw/zinc/54/49/24/1119544924.db2.gz RQAMVMOWYNZZIQ-HNNXBMFYSA-N 0 1 366.218 4.191 20 30 FIEDMN CCCN(CCc1cccs1)CC(=O)Nc1ccccc1SCC#N ZINC000184503307 1119612564 /nfs/dbraw/zinc/61/25/64/1119612564.db2.gz CBWAUKYWZIBTPH-UHFFFAOYSA-N 0 1 373.547 4.257 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185516837 1119668335 /nfs/dbraw/zinc/66/83/35/1119668335.db2.gz HWVDWZLUFWYQGV-CYBMUJFWSA-N 0 1 363.446 4.118 20 30 FIEDMN C=C(C)C[C@H](C)C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000185989845 1119699444 /nfs/dbraw/zinc/69/94/44/1119699444.db2.gz UXUYRTMDOURGSJ-HNNXBMFYSA-N 0 1 358.463 4.028 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@H]1CCCc2c(O)cccc21 ZINC000192364637 1120057469 /nfs/dbraw/zinc/05/74/69/1120057469.db2.gz PYTWZFVIPCWFIA-KRWDZBQOSA-N 0 1 368.502 4.276 20 30 FIEDMN Cn1c(NN=Cc2ccc(C(F)(F)F)s2)nnc1-c1ccccc1 ZINC000761783483 1120399476 /nfs/dbraw/zinc/39/94/76/1120399476.db2.gz ZBTSMTAIWOCRMD-UHFFFAOYSA-N 0 1 351.357 4.008 20 30 FIEDMN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(Br)n2)c1 ZINC000925416960 1120447956 /nfs/dbraw/zinc/44/79/56/1120447956.db2.gz YKLTZMYYTNTAMO-ZFWWWQNUSA-N 0 1 374.282 4.376 20 30 FIEDMN CCC(N=Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccs1 ZINC000914700262 1120482259 /nfs/dbraw/zinc/48/22/59/1120482259.db2.gz WNFXLEXENDBXGY-UHFFFAOYSA-N 0 1 362.398 4.268 20 30 FIEDMN CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)Cc1ccsc1 ZINC000495229658 1120548130 /nfs/dbraw/zinc/54/81/30/1120548130.db2.gz CEFOIBJAJLDODS-AWEZNQCLSA-N 0 1 352.463 4.123 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(Cl)s2)cc1Cl ZINC000193477175 1120923482 /nfs/dbraw/zinc/92/34/82/1120923482.db2.gz NOVUYGBUJINYJC-VIFPVBQESA-N 0 1 369.229 4.025 20 30 FIEDMN CC(=NNc1c(Cl)cccc1Cl)c1ccc2c(c1)NC(=O)CO2 ZINC000763188805 1121245474 /nfs/dbraw/zinc/24/54/74/1121245474.db2.gz XPSOUJOXWMLQLB-UHFFFAOYSA-N 0 1 350.205 4.160 20 30 FIEDMN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000763232679 1121299788 /nfs/dbraw/zinc/29/97/88/1121299788.db2.gz AOANZWAITOBLJS-RTBURBONSA-N 0 1 371.278 4.191 20 30 FIEDMN CC(=[NH+][N-]c1ccc([N+](=O)[O-])cn1)c1ccc(N2CCCCCC2)cc1 ZINC000915969921 1121357650 /nfs/dbraw/zinc/35/76/50/1121357650.db2.gz YDOBXVQAERBNQT-UHFFFAOYSA-N 0 1 353.426 4.206 20 30 FIEDMN CN(CCC#N)c1ccc(CN=Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000915976419 1121359347 /nfs/dbraw/zinc/35/93/47/1121359347.db2.gz UGIOGPUMNQAQOL-UHFFFAOYSA-N 0 1 357.801 4.044 20 30 FIEDMN Cc1nc(Cl)cc(N=NCc2c(Cl)cccc2N2CCCC2)n1 ZINC000763363586 1121447084 /nfs/dbraw/zinc/44/70/84/1121447084.db2.gz NPEGPAJKAQCNMP-UHFFFAOYSA-N 0 1 350.253 4.138 20 30 FIEDMN O=[N+]([O-])c1cccc(-c2ccc(C=NNc3ccccc3[N+](=O)[O-])o2)c1 ZINC000916250170 1121457607 /nfs/dbraw/zinc/45/76/07/1121457607.db2.gz OVVOEHPYCXRPMH-UHFFFAOYSA-N 0 1 352.306 4.209 20 30 FIEDMN COc1cc(C(C)=NNc2nc3ccccc3s2)cc(OC)c1OC ZINC000916248340 1121457632 /nfs/dbraw/zinc/45/76/32/1121457632.db2.gz BDXMENJFLHZMHM-UHFFFAOYSA-N 0 1 357.435 4.158 20 30 FIEDMN CCCCCOc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cc1 ZINC000916303650 1121467533 /nfs/dbraw/zinc/46/75/33/1121467533.db2.gz JPFPOBPBDCTKOD-UHFFFAOYSA-N 0 1 358.389 4.037 20 30 FIEDMN CCCCCCOc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cc1 ZINC000916305315 1121467988 /nfs/dbraw/zinc/46/79/88/1121467988.db2.gz NSKOZONDBZOVOG-UHFFFAOYSA-N 0 1 372.416 4.427 20 30 FIEDMN CC(=[NH+][N-]c1ncnc2sc3c(c21)CCC3)c1ccc(N(C)C)cc1 ZINC000916310429 1121470340 /nfs/dbraw/zinc/47/03/40/1121470340.db2.gz VUHWIUQMSOIAPW-UHFFFAOYSA-N 0 1 351.479 4.082 20 30 FIEDMN CCC(=NNc1nc2ccccc2[nH]1)c1cc(Br)ccc1O ZINC000916581170 1121555740 /nfs/dbraw/zinc/55/57/40/1121555740.db2.gz OYTNLNCPVNQMHW-UHFFFAOYSA-N 0 1 359.227 4.257 20 30 FIEDMN CCCN(Cc1ccccc1Br)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763405526 1121576386 /nfs/dbraw/zinc/57/63/86/1121576386.db2.gz CSSZJYFBMIWXMP-LJQANCHMSA-N 0 1 373.294 4.266 20 30 FIEDMN N#Cc1ccc([C@H](O)CN(Cc2ccccc2)Cc2ccccc2F)cc1 ZINC000763409108 1121577797 /nfs/dbraw/zinc/57/77/97/1121577797.db2.gz UAEZQVDOEKXDHT-HSZRJFAPSA-N 0 1 360.432 4.433 20 30 FIEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000916911359 1121932436 /nfs/dbraw/zinc/93/24/36/1121932436.db2.gz ABRGELWENWRWIJ-IIAWOOMASA-N 0 1 366.383 4.265 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)CC(C)(C)C)cc1Cl ZINC000916940898 1121962266 /nfs/dbraw/zinc/96/22/66/1121962266.db2.gz OICBWQGDIOUFPA-JSGCOSHPSA-N 0 1 364.873 4.458 20 30 FIEDMN CC[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)N(C)C ZINC000126649361 1121972740 /nfs/dbraw/zinc/97/27/40/1121972740.db2.gz UXRQQXYHDUHBQN-PKOBYXMFSA-N 0 1 355.869 4.274 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cccc(CC#N)c3)n2)cc1 ZINC000066543535 1122072604 /nfs/dbraw/zinc/07/26/04/1122072604.db2.gz XRLHPJJXBJWDLI-GOSISDBHSA-N 0 1 373.437 4.375 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000154282768 1122153438 /nfs/dbraw/zinc/15/34/38/1122153438.db2.gz UMPMEVZAVHSUMC-HNNXBMFYSA-N 0 1 351.406 4.050 20 30 FIEDMN C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C(C)C ZINC000917168182 1122214104 /nfs/dbraw/zinc/21/41/04/1122214104.db2.gz RSZRGMZVJHBVSP-UHFFFAOYSA-N 0 1 356.514 4.317 20 30 FIEDMN CCc1ccc([C@@H](C)NC(=O)CN(CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000497609077 1122305961 /nfs/dbraw/zinc/30/59/61/1122305961.db2.gz DKTUPHAPLZMBRE-QZTJIDSGSA-N 0 1 363.505 4.381 20 30 FIEDMN CC(C)c1ccc([C@H](C)NN=Cc2ccc(N3CCOCC3)s2)cc1 ZINC000917550660 1122358452 /nfs/dbraw/zinc/35/84/52/1122358452.db2.gz CAIGZKJLYGWGME-INIZCTEOSA-N 0 1 357.523 4.393 20 30 FIEDMN Clc1ccc(-c2ccc(C=NNc3ncnc4nc[nH]c43)s2)cc1 ZINC000917556246 1122359830 /nfs/dbraw/zinc/35/98/30/1122359830.db2.gz YGHGUAHYTAFNHU-UHFFFAOYSA-N 0 1 354.826 4.181 20 30 FIEDMN O=c1[nH]c2ccccc2cc1C=NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000917557067 1122360591 /nfs/dbraw/zinc/36/05/91/1122360591.db2.gz VWOMHMITQRWDDG-OYKKKHCWSA-N 0 1 363.436 4.163 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN(C)C[C@H](C)c2ccccc2)c1C ZINC000556065863 1122637007 /nfs/dbraw/zinc/63/70/07/1122637007.db2.gz YGFAZNOAZATXHU-IBGZPJMESA-N 0 1 363.505 4.286 20 30 FIEDMN C=CCOc1ccc(CNCc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000071008064 1122843385 /nfs/dbraw/zinc/84/33/85/1122843385.db2.gz YCNGISIHXAVVNR-UHFFFAOYSA-N 0 1 361.489 4.403 20 30 FIEDMN N#CCC[C@@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000130612304 1122887355 /nfs/dbraw/zinc/88/73/55/1122887355.db2.gz UYNFMWOKFATEGC-FGZHOGPDSA-N 0 1 350.462 4.379 20 30 FIEDMN COc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OCCCC#N ZINC000194938260 1123036142 /nfs/dbraw/zinc/03/61/42/1123036142.db2.gz SARKBYOEMIQOCC-OAHLLOKOSA-N 0 1 369.421 4.137 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000072879285 1123172107 /nfs/dbraw/zinc/17/21/07/1123172107.db2.gz XWVNNZXIZUSLBC-CVEARBPZSA-N 0 1 355.869 4.326 20 30 FIEDMN Cc1nn(C)c2nc(Cl)c(C=NNc3ncc(Cl)cc3Cl)cc12 ZINC000920366059 1123448357 /nfs/dbraw/zinc/44/83/57/1123448357.db2.gz KJRYRSINWXEKRD-UHFFFAOYSA-N 0 1 369.643 4.078 20 30 FIEDMN CC(=NNc1cc(F)cc(F)c1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000920375140 1123449008 /nfs/dbraw/zinc/44/90/08/1123449008.db2.gz STMVYLHVCWMILF-UHFFFAOYSA-N 0 1 359.420 4.492 20 30 FIEDMN Cc1ccc(-c2ccc(C=NNc3ccc(-n4cccn4)nn3)s2)cc1 ZINC000920479607 1123466977 /nfs/dbraw/zinc/46/69/77/1123466977.db2.gz PTHHTKIYCWBHJM-UHFFFAOYSA-N 0 1 360.446 4.145 20 30 FIEDMN CC(C)CO[C@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000920805098 1123522349 /nfs/dbraw/zinc/52/23/49/1123522349.db2.gz GZMDDUWOFKRUPB-NEPJUHHUSA-N 0 1 364.417 4.326 20 30 FIEDMN N#CC(C(=O)Cc1ccc(-c2ccccc2)cc1)c1nnc2n1CCCCC2 ZINC000920968869 1123547147 /nfs/dbraw/zinc/54/71/47/1123547147.db2.gz ZVICPLWPKGOPJI-FQEVSTJZSA-N 0 1 370.456 4.090 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)n1 ZINC000076763301 1123628587 /nfs/dbraw/zinc/62/85/87/1123628587.db2.gz YNMJAALGRBEYPO-AWEZNQCLSA-N 0 1 356.838 4.089 20 30 FIEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000609541515 1123747606 /nfs/dbraw/zinc/74/76/06/1123747606.db2.gz XWPVAZDPEUVJJY-WMLDXEAASA-N 0 1 353.853 4.028 20 30 FIEDMN C=CCc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc(OC)c1OC ZINC000078735773 1123805197 /nfs/dbraw/zinc/80/51/97/1123805197.db2.gz MMMOQLFCGGEODP-HNNXBMFYSA-N 0 1 362.385 4.064 20 30 FIEDMN C=CCc1cc(C(=O)C(C#N)c2nc3ccccc3o2)cc(OC)c1OC ZINC000078735773 1123805198 /nfs/dbraw/zinc/80/51/98/1123805198.db2.gz MMMOQLFCGGEODP-HNNXBMFYSA-N 0 1 362.385 4.064 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN2CCC3(CCCC3)CC2)c1C ZINC000610004578 1123914898 /nfs/dbraw/zinc/91/48/98/1123914898.db2.gz ZFNHOYWDPXEHPD-UHFFFAOYSA-N 0 1 353.510 4.206 20 30 FIEDMN N#CCCCOc1cccc(CN[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000610162332 1123952624 /nfs/dbraw/zinc/95/26/24/1123952624.db2.gz SUVQSTBDADSTLF-QFIPXVFZSA-N 0 1 360.461 4.097 20 30 FIEDMN COCc1ccc([C@H]2CCCN2Cc2cccc(OCCCC#N)c2)o1 ZINC000137064971 1123960279 /nfs/dbraw/zinc/96/02/79/1123960279.db2.gz ZGYQEIIQLBETNF-HXUWFJFHSA-N 0 1 354.450 4.446 20 30 FIEDMN N#CC(C(=O)C=Cc1ccc(Cl)nc1)c1nc(-c2ccncc2)cs1 ZINC000179808233 1124108834 /nfs/dbraw/zinc/10/88/34/1124108834.db2.gz HXHCACMRUGFKFO-XYHHVPKHSA-N 0 1 366.833 4.143 20 30 FIEDMN Cc1cc(C)n(CCN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 ZINC000553950537 1124234598 /nfs/dbraw/zinc/23/45/98/1124234598.db2.gz UHHLURVGPVLXNM-UHFFFAOYSA-N 0 1 362.452 4.213 20 30 FIEDMN Cc1nc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)ccc1C#N ZINC000108383058 1124303776 /nfs/dbraw/zinc/30/37/76/1124303776.db2.gz PVHULTHRWQFWPV-UHFFFAOYSA-N 0 1 371.375 4.196 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000542883707 1124747814 /nfs/dbraw/zinc/74/78/14/1124747814.db2.gz NTGAEZSHOCFGIJ-LZJOCLMNSA-N 0 1 371.550 4.389 20 30 FIEDMN C[C@@]1(c2ccccc2)CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075743299 1124919772 /nfs/dbraw/zinc/91/97/72/1124919772.db2.gz AWQLZZTYKLXPIP-JOCHJYFZSA-N 0 1 358.445 4.162 20 30 FIEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)c(C3CC3)c2)c1 ZINC000499505385 1124939742 /nfs/dbraw/zinc/93/97/42/1124939742.db2.gz NAOBXKHQPKHGLT-UHFFFAOYSA-N 0 1 350.802 4.029 20 30 FIEDMN CC[C@@H](C)n1ncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1C1CC1 ZINC000089964395 1124972448 /nfs/dbraw/zinc/97/24/48/1124972448.db2.gz XABPWXQCQAAHQP-HIFRSBDPSA-N 0 1 361.449 4.108 20 30 FIEDMN C=CCN1CC[C@@H](N(CC)[C@H](c2ccccc2)c2ccc(F)cc2)C1=O ZINC000499528026 1125046170 /nfs/dbraw/zinc/04/61/70/1125046170.db2.gz BOFHFZHXFAXRLD-NHCUHLMSSA-N 0 1 352.453 4.024 20 30 FIEDMN C=CCN1CC[C@H](N(CC)[C@H](c2ccccc2)c2ccc(F)cc2)C1=O ZINC000499528023 1125046440 /nfs/dbraw/zinc/04/64/40/1125046440.db2.gz BOFHFZHXFAXRLD-LEWJYISDSA-N 0 1 352.453 4.024 20 30 FIEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(Br)cc2c1OCC2 ZINC000618741130 1125258519 /nfs/dbraw/zinc/25/85/19/1125258519.db2.gz CODLBKSRDGZEGZ-SFHVURJKSA-N 0 1 369.262 4.033 20 30 FIEDMN Cn1c(CN[C@@H]2CCc3cc(C#N)ccc32)nc2cc(C(F)(F)F)ccc21 ZINC000618742671 1125259645 /nfs/dbraw/zinc/25/96/45/1125259645.db2.gz OUNYQVOMZINJJN-MRXNPFEDSA-N 0 1 370.378 4.241 20 30 FIEDMN FC(F)(F)COCCCN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618752038 1125265108 /nfs/dbraw/zinc/26/51/08/1125265108.db2.gz XPBYHVXPIMKJOJ-DTORHVGOSA-N 0 1 361.248 4.018 20 30 FIEDMN Cc1nsc(NC(=O)c2cc(-c3cccc(Cl)c3F)no2)c1C#N ZINC001128319548 1125288507 /nfs/dbraw/zinc/28/85/07/1125288507.db2.gz KYETYESQMPWQNQ-UHFFFAOYSA-N 0 1 362.773 4.023 20 30 FIEDMN CC(C)(C)c1n[nH]c(SCc2ccc(C#N)cc2Br)n1 ZINC000182272287 1125314170 /nfs/dbraw/zinc/31/41/70/1125314170.db2.gz NQCUSMBRLGBCPL-UHFFFAOYSA-N 0 1 351.273 4.029 20 30 FIEDMN CC(C)(C)c1nc(SCc2ccc(C#N)cc2Br)n[nH]1 ZINC000182272287 1125314175 /nfs/dbraw/zinc/31/41/75/1125314175.db2.gz NQCUSMBRLGBCPL-UHFFFAOYSA-N 0 1 351.273 4.029 20 30 FIEDMN Cc1[nH]n(-c2ccc(Br)cc2C(F)(F)F)c(=O)c1CCC#N ZINC000601939806 567881409 /nfs/dbraw/zinc/88/14/09/567881409.db2.gz NHOJFAGWRHNJQF-SNVBAGLBSA-N 0 1 374.160 4.110 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccccc1OC ZINC000602550693 567990712 /nfs/dbraw/zinc/99/07/12/567990712.db2.gz DWADGKIDAXAEBL-HOTGVXAUSA-N 0 1 358.507 4.011 20 30 FIEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(Oc2ccc(F)cc2)n1 ZINC000602697189 568016463 /nfs/dbraw/zinc/01/64/63/568016463.db2.gz DLFUQZNAGPYTQS-INIZCTEOSA-N 0 1 369.440 4.202 20 30 FIEDMN COc1cc(CNCc2cn(-c3ccccc3)nc2C(C)(C)C)ccc1C#N ZINC000568451339 568039378 /nfs/dbraw/zinc/03/93/78/568039378.db2.gz STZZAXOIYJYJAW-UHFFFAOYSA-N 0 1 374.488 4.340 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)n[nH]2)c(C)c1 ZINC000188649138 568045047 /nfs/dbraw/zinc/04/50/47/568045047.db2.gz WUFRXMUNZGGBLW-HNNXBMFYSA-N 0 1 355.401 4.060 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]1c1ccsc1 ZINC000603882131 568176491 /nfs/dbraw/zinc/17/64/91/568176491.db2.gz LZFUMYVXMDAJKN-APWZRJJASA-N 0 1 353.491 4.220 20 30 FIEDMN CC(=O)c1ccc(C#N)c(N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000570371734 568480975 /nfs/dbraw/zinc/48/09/75/568480975.db2.gz FLLJFHAKHSVCSA-SFHVURJKSA-N 0 1 358.445 4.330 20 30 FIEDMN COc1ccc(-c2n[nH]c(S[C@H](C#N)Cc3ccc(C)cc3)n2)cc1 ZINC000007470775 568520825 /nfs/dbraw/zinc/52/08/25/568520825.db2.gz CXBSXXMEMOFCAS-KRWDZBQOSA-N 0 1 350.447 4.016 20 30 FIEDMN C[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccsc1 ZINC000619782666 1125695422 /nfs/dbraw/zinc/69/54/22/1125695422.db2.gz JDQLOIHBINFUGR-UONOGXRCSA-N 0 1 359.520 4.289 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(Br)cs3)[nH]c21 ZINC000605363173 1079768491 /nfs/dbraw/zinc/76/84/91/1079768491.db2.gz NDOAOQMSNPFAAU-JTQLQIEISA-N 0 1 360.236 4.185 20 30 FIEDMN Cc1csc(C(C#N)C(=O)C=Cc2cc(Br)ccc2F)n1 ZINC000254973184 1080126476 /nfs/dbraw/zinc/12/64/76/1080126476.db2.gz GPFBBHPXHVHNOQ-PZBKNZOISA-N 0 1 365.227 4.243 20 30 FIEDMN O=C1NCCCN1c1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 ZINC000254987902 1080152304 /nfs/dbraw/zinc/15/23/04/1080152304.db2.gz HMYQQLNTEOEMEB-UHFFFAOYSA-N 0 1 364.232 4.369 20 30 FIEDMN N#C[C@H](C(=O)c1ccc(-c2nc[nH]n2)cc1)c1nc(-c2ccccc2)cs1 ZINC000579862289 1080174605 /nfs/dbraw/zinc/17/46/05/1080174605.db2.gz RTFRJSDZLBHVEK-MRXNPFEDSA-N 0 1 371.425 4.085 20 30 FIEDMN N#CC(C(=O)c1ccc(-c2nc[nH]n2)cc1)c1nc(-c2ccccc2)cs1 ZINC000579862289 1080174617 /nfs/dbraw/zinc/17/46/17/1080174617.db2.gz RTFRJSDZLBHVEK-MRXNPFEDSA-N 0 1 371.425 4.085 20 30 FIEDMN C=CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000179950445 1080367231 /nfs/dbraw/zinc/36/72/31/1080367231.db2.gz BHPONGDVQSAHOK-UHFFFAOYSA-N 0 1 372.472 4.156 20 30 FIEDMN COC(=O)[C@H](C)CN(CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC001167280081 1080956982 /nfs/dbraw/zinc/95/69/82/1080956982.db2.gz TWETXOXWPAHFQK-QGZVFWFLSA-N 0 1 355.865 4.003 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000047371806 1081422749 /nfs/dbraw/zinc/42/27/49/1081422749.db2.gz MSOXKCYPDMYLLI-UHFFFAOYSA-N 0 1 365.396 4.263 20 30 FIEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000610346332 1081502789 /nfs/dbraw/zinc/50/27/89/1081502789.db2.gz UJJAFFGOUQQNES-UONOGXRCSA-N 0 1 373.859 4.048 20 30 FIEDMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610346580 1081504345 /nfs/dbraw/zinc/50/43/45/1081504345.db2.gz XOGJJEKYYMBRMY-ZIAGYGMSSA-N 0 1 371.868 4.207 20 30 FIEDMN CCCCCCCCN1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC001167391938 1081920355 /nfs/dbraw/zinc/92/03/55/1081920355.db2.gz PCFIBIVBVXVNJO-FQEVSTJZSA-N 0 1 360.542 4.267 20 30 FIEDMN C[C@H](NCc1ccc(C#N)cc1F)c1ccc(F)c(Br)c1 ZINC000177856613 1082228579 /nfs/dbraw/zinc/22/85/79/1082228579.db2.gz BNKGDYSBKUDJIL-JTQLQIEISA-N 0 1 351.194 4.450 20 30 FIEDMN CC(C)(C)c1nc2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2[nH]1 ZINC000471633104 1082249008 /nfs/dbraw/zinc/24/90/08/1082249008.db2.gz IMBNDFZISVAZBE-MRXNPFEDSA-N 0 1 371.444 4.053 20 30 FIEDMN C[C@@H]1CCN(c2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)ccn2)C1 ZINC000430600358 1082566888 /nfs/dbraw/zinc/56/68/88/1082566888.db2.gz XIMSOYHTLJTQPA-UKRRQHHQSA-N 0 1 368.506 4.172 20 30 FIEDMN COCCCOc1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430631020 1082768367 /nfs/dbraw/zinc/76/83/67/1082768367.db2.gz STQWQCWZRGMNEG-INIZCTEOSA-N 0 1 372.490 4.346 20 30 FIEDMN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000328855426 1083036560 /nfs/dbraw/zinc/03/65/60/1083036560.db2.gz TYZCNVHOMFYWMP-SMYFESCOSA-N 0 1 363.546 4.235 20 30 FIEDMN N#CC(C(=O)c1cccc(OCC(F)(F)F)c1)c1nc(C2CC2)cs1 ZINC000647378268 1083367618 /nfs/dbraw/zinc/36/76/18/1083367618.db2.gz JLYBQHSGKGLOIQ-ZDUSSCGKSA-N 0 1 366.364 4.452 20 30 FIEDMN C=CCOc1ccccc1CN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000092480474 1083416697 /nfs/dbraw/zinc/41/66/97/1083416697.db2.gz CZRYYOFLBSIOTD-UHFFFAOYSA-N 0 1 365.477 4.038 20 30 FIEDMN CON=Cc1ccc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000255731809 1083455069 /nfs/dbraw/zinc/45/50/69/1083455069.db2.gz CZKRIPHOKMTFLR-CQSZACIVSA-N 0 1 369.833 4.420 20 30 FIEDMN CCN(CC1CCN(CC#Cc2ccc(F)cc2)CC1)C(=O)OC(C)(C)C ZINC001167496304 1083486745 /nfs/dbraw/zinc/48/67/45/1083486745.db2.gz LEFSIUPLJPJVTF-UHFFFAOYSA-N 0 1 374.500 4.146 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(C3CC3)o2)cc1 ZINC000892501148 1083870700 /nfs/dbraw/zinc/87/07/00/1083870700.db2.gz KNRHVLSONVXCFJ-LRDDRELGSA-N 0 1 351.406 4.027 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cnc(C3CC3)o2)cc1 ZINC000892501148 1083870703 /nfs/dbraw/zinc/87/07/03/1083870703.db2.gz KNRHVLSONVXCFJ-LRDDRELGSA-N 0 1 351.406 4.027 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(C3CC3)o2)cc1 ZINC000892501150 1083872445 /nfs/dbraw/zinc/87/24/45/1083872445.db2.gz KNRHVLSONVXCFJ-WBMJQRKESA-N 0 1 351.406 4.027 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cnc(C3CC3)o2)cc1 ZINC000892501150 1083872459 /nfs/dbraw/zinc/87/24/59/1083872459.db2.gz KNRHVLSONVXCFJ-WBMJQRKESA-N 0 1 351.406 4.027 20 30 FIEDMN N#CC(C(=O)c1ccnc2ccncc21)c1nc(-c2ccccc2)cs1 ZINC000570324382 1084026829 /nfs/dbraw/zinc/02/68/29/1084026829.db2.gz LTEIEIIFVDBUBP-OAHLLOKOSA-N 0 1 356.410 4.243 20 30 FIEDMN N#C[C@H](C(=O)c1ccnc2ccncc21)c1nc(-c2ccccc2)cs1 ZINC000570324382 1084026843 /nfs/dbraw/zinc/02/68/43/1084026843.db2.gz LTEIEIIFVDBUBP-OAHLLOKOSA-N 0 1 356.410 4.243 20 30 FIEDMN CC(C)=CCC[C@@H](C)CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000563162529 1084151346 /nfs/dbraw/zinc/15/13/46/1084151346.db2.gz CNVHOQFIXHRFLQ-HXUWFJFHSA-N 0 1 367.537 4.434 20 30 FIEDMN C[C@H](NCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccc(C#N)cc1 ZINC000580661155 1084447548 /nfs/dbraw/zinc/44/75/48/1084447548.db2.gz GOWAASGWCCGLCH-HOTGVXAUSA-N 0 1 361.445 4.175 20 30 FIEDMN C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cc(F)c(Cl)cc1Cl ZINC000177986898 1084531035 /nfs/dbraw/zinc/53/10/35/1084531035.db2.gz QSEHEGSBKJKJEX-BMLIUANNSA-N 0 1 353.224 4.388 20 30 FIEDMN N#CC(C(=O)C1C[C@H]2CC[C@@H](C1)S2)c1nc2ccccc2n1C(F)F ZINC000892537313 1084546379 /nfs/dbraw/zinc/54/63/79/1084546379.db2.gz AMKSPVKHYIRTJN-WVMKXHBISA-N 0 1 361.417 4.282 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000581441338 1084549538 /nfs/dbraw/zinc/54/95/38/1084549538.db2.gz FTLQZZXVBMNFLB-QGZVFWFLSA-N 0 1 368.399 4.000 20 30 FIEDMN CC(C)N(Cc1cccc(C(F)(F)F)c1)Cc1cnc2c(C#N)cnn2c1 ZINC000581884860 1084638694 /nfs/dbraw/zinc/63/86/94/1084638694.db2.gz HVFRBTDZPVGOQG-UHFFFAOYSA-N 0 1 373.382 4.030 20 30 FIEDMN C[C@H](Oc1ccccc1)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544939 1084639329 /nfs/dbraw/zinc/63/93/29/1084639329.db2.gz LFZWNLWKCPBFKC-KBXCAEBGSA-N 0 1 373.437 4.326 20 30 FIEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000321133376 1084700411 /nfs/dbraw/zinc/70/04/11/1084700411.db2.gz JJQHQEDCBRQOAK-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN CC(C)CCN(CCC#N)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167559120 1084812124 /nfs/dbraw/zinc/81/21/24/1084812124.db2.gz XTCAWKWLAPEJGX-GOSISDBHSA-N 0 1 351.535 4.285 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H]2CCc3ccccc32)c1C ZINC000051650422 1084954759 /nfs/dbraw/zinc/95/47/59/1084954759.db2.gz YKBAMFVKXIYJMP-JOCHJYFZSA-N 0 1 361.489 4.169 20 30 FIEDMN COc1ccc(CNCc2ccc(-c3ccccc3C#N)cc2)cc1[N+](=O)[O-] ZINC000180335092 1085066052 /nfs/dbraw/zinc/06/60/52/1085066052.db2.gz MJGJKWCLLGMSBD-UHFFFAOYSA-N 0 1 373.412 4.432 20 30 FIEDMN C[C@@H](c1nc2ccccc2s1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000150207491 1085086639 /nfs/dbraw/zinc/08/66/39/1085086639.db2.gz ALHDEDBULXLZDI-AWEZNQCLSA-N 0 1 364.474 4.190 20 30 FIEDMN CC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1c(C)nn(C)c1C ZINC000582517946 1085089649 /nfs/dbraw/zinc/08/96/49/1085089649.db2.gz CYAAWGYSGMVZCX-MRXNPFEDSA-N 0 1 350.388 4.168 20 30 FIEDMN CC[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1c(C)nn(C)c1C ZINC000582517945 1085089819 /nfs/dbraw/zinc/08/98/19/1085089819.db2.gz CYAAWGYSGMVZCX-INIZCTEOSA-N 0 1 350.388 4.168 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000023967226 1085229011 /nfs/dbraw/zinc/22/90/11/1085229011.db2.gz QFSJZEJDLUKEFD-LBPRGKRZSA-N 0 1 364.902 4.030 20 30 FIEDMN Fc1ccc(OC(F)F)c(CN2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000660912757 1085315350 /nfs/dbraw/zinc/31/53/50/1085315350.db2.gz MYWCRKKFCGUJLJ-UHFFFAOYSA-N 0 1 357.269 4.294 20 30 FIEDMN C=CCC[C@H](NC(=O)N(C)Cc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000660939249 1085324736 /nfs/dbraw/zinc/32/47/36/1085324736.db2.gz KOGDKSVZFIPPDU-INIZCTEOSA-N 0 1 366.387 4.277 20 30 FIEDMN N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000044895775 1085455841 /nfs/dbraw/zinc/45/58/41/1085455841.db2.gz DINQWNXERSFFRU-INIZCTEOSA-N 0 1 359.882 4.439 20 30 FIEDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)CCOc1ccc(C#N)cc1 ZINC000065603788 1085659340 /nfs/dbraw/zinc/65/93/40/1085659340.db2.gz CVHXNUTVDUZXHV-UHFFFAOYSA-N 0 1 374.488 4.180 20 30 FIEDMN CN(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccc2ccccc21 ZINC000097491767 1085667962 /nfs/dbraw/zinc/66/79/62/1085667962.db2.gz KHVPSSAXOUWJQF-UHFFFAOYSA-N 0 1 363.848 4.435 20 30 FIEDMN CC(C)(CO)[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000582812467 1085756021 /nfs/dbraw/zinc/75/60/21/1085756021.db2.gz HPMIUBABCQHUSM-KRWDZBQOSA-N 0 1 367.436 4.468 20 30 FIEDMN N#Cc1ccccc1COc1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000066905384 1085760688 /nfs/dbraw/zinc/76/06/88/1085760688.db2.gz QVGXCPJEVYAIRX-UHFFFAOYSA-N 0 1 373.412 4.335 20 30 FIEDMN O=[N+]([O-])c1ccccc1/C=C/CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000237834370 1085919785 /nfs/dbraw/zinc/91/97/85/1085919785.db2.gz YXXJTBZZRRGJAK-QPJJXVBHSA-N 0 1 360.335 4.268 20 30 FIEDMN C=C(C)[C@H](CC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)OCC ZINC000535920313 1086099744 /nfs/dbraw/zinc/09/97/44/1086099744.db2.gz ZTVMBTBWVXRTAW-UNMCSNQZSA-N 0 1 363.461 4.140 20 30 FIEDMN Cc1ccc(/C=C/CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000176519331 1086390780 /nfs/dbraw/zinc/39/07/80/1086390780.db2.gz QXXKZHLYXWMGLO-DUXPYHPUSA-N 0 1 373.500 4.005 20 30 FIEDMN CCOc1ccc(C#N)cc1NC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000535990254 1086543313 /nfs/dbraw/zinc/54/33/13/1086543313.db2.gz UGBZYQXMYIVCTJ-UHFFFAOYSA-N 0 1 360.417 4.216 20 30 FIEDMN C=CCCCN(C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245680244 1086821047 /nfs/dbraw/zinc/82/10/47/1086821047.db2.gz JVSGJSLVGSFWIK-MAUKXSAKSA-N 0 1 367.896 4.080 20 30 FIEDMN C=CCCCN(C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245680244 1086821069 /nfs/dbraw/zinc/82/10/69/1086821069.db2.gz JVSGJSLVGSFWIK-MAUKXSAKSA-N 0 1 367.896 4.080 20 30 FIEDMN C=CCN1C(=O)CCC12CCN(Cc1cc(C)cc(C(F)(F)F)c1)CC2 ZINC001143449637 1086876999 /nfs/dbraw/zinc/87/69/99/1086876999.db2.gz AWRUTPISPUUQFT-UHFFFAOYSA-N 0 1 366.427 4.157 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1c1cccs1 ZINC000052712429 1087063599 /nfs/dbraw/zinc/06/35/99/1087063599.db2.gz DXKSXMGGONCYRV-SJLPKXTDSA-N 0 1 353.491 4.220 20 30 FIEDMN N#CC(C(=O)c1cncc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000151637684 1087182695 /nfs/dbraw/zinc/18/26/95/1087182695.db2.gz WXDXSLUPECBGDU-CQSZACIVSA-N 0 1 357.797 4.488 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4nc5c(cc4C#N)CCCC5)C3)[nH]c2c1 ZINC000584204861 1087217978 /nfs/dbraw/zinc/21/79/78/1087217978.db2.gz FZKRSHYTVKIYAB-KRWDZBQOSA-N 0 1 371.488 4.401 20 30 FIEDMN C=CC[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CCc1ccccc1 ZINC000584416242 1087370963 /nfs/dbraw/zinc/37/09/63/1087370963.db2.gz UADHSUNXDJOCPK-UHFFFAOYSA-N 0 1 359.853 4.148 20 30 FIEDMN C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(C)cc(C(F)(F)F)c1)C2 ZINC001143455211 1087383384 /nfs/dbraw/zinc/38/33/84/1087383384.db2.gz SZBVBSXPKKKKRP-MOPGFXCFSA-N 0 1 369.427 4.340 20 30 FIEDMN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(C)cc(C(F)(F)F)c1)C2 ZINC001143455211 1087383392 /nfs/dbraw/zinc/38/33/92/1087383392.db2.gz SZBVBSXPKKKKRP-MOPGFXCFSA-N 0 1 369.427 4.340 20 30 FIEDMN N#Cc1ccc2ncc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)n2c1 ZINC000535068311 1087468846 /nfs/dbraw/zinc/46/88/46/1087468846.db2.gz BFZVVRATDCNVFO-MRXNPFEDSA-N 0 1 373.485 4.195 20 30 FIEDMN C=C(C)C(C)(C)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000424591378 1088097198 /nfs/dbraw/zinc/09/71/98/1088097198.db2.gz ABEHDRFBYUULRZ-UHFFFAOYSA-N 0 1 357.498 4.042 20 30 FIEDMN CN(C(=O)c1ccc(C#N)c(O)c1)c1ccc(OCc2ccccc2)cc1 ZINC000189268792 1088459748 /nfs/dbraw/zinc/45/97/48/1088459748.db2.gz AYJJDZSTIDAJBU-UHFFFAOYSA-N 0 1 358.397 4.119 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CN(CC)CC)o1 ZINC000048240738 1088580090 /nfs/dbraw/zinc/58/00/90/1088580090.db2.gz IKGNHQJJXGFHCI-UHFFFAOYSA-N 0 1 353.466 4.045 20 30 FIEDMN Cc1cc(C#N)ccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000178551928 1088637084 /nfs/dbraw/zinc/63/70/84/1088637084.db2.gz YXSHFTPUWLNUGD-CQSZACIVSA-N 0 1 350.328 4.102 20 30 FIEDMN Cc1nc(C2CCC2)sc1CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000892703847 1088795004 /nfs/dbraw/zinc/79/50/04/1088795004.db2.gz LRLFAMSLDYIMNJ-CQSZACIVSA-N 0 1 364.474 4.323 20 30 FIEDMN C[N@@H+](Cc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1)C1CCCCC1 ZINC000190049566 1088966140 /nfs/dbraw/zinc/96/61/40/1088966140.db2.gz BWIKXESAEPMORA-UHFFFAOYSA-N 0 1 363.461 4.281 20 30 FIEDMN N#C[C@@H](C(=O)c1ccccc1Oc1ccncc1)c1cnc2ccccc2n1 ZINC000549190071 1089178576 /nfs/dbraw/zinc/17/85/76/1089178576.db2.gz JJZIYQFQUJDSSO-QGZVFWFLSA-N 0 1 366.380 4.307 20 30 FIEDMN N#CC(C(=O)c1ccccc1Oc1ccncc1)c1cnc2ccccc2n1 ZINC000549190071 1089178594 /nfs/dbraw/zinc/17/85/94/1089178594.db2.gz JJZIYQFQUJDSSO-QGZVFWFLSA-N 0 1 366.380 4.307 20 30 FIEDMN N#Cc1ccc(Cl)cc1NC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000303028690 1089235699 /nfs/dbraw/zinc/23/56/99/1089235699.db2.gz WSJFYHLUNVODMD-HXUWFJFHSA-N 0 1 365.864 4.302 20 30 FIEDMN CN(Cc1cc2ccccc2o1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435123696 1089305943 /nfs/dbraw/zinc/30/59/43/1089305943.db2.gz ILFPMZROTIPDCX-UHFFFAOYSA-N 0 1 371.444 4.237 20 30 FIEDMN CCN(CC)[C@H](C(=O)N[C@H](C#N)c1ccccc1Cl)c1ccccc1 ZINC000505637793 1089461091 /nfs/dbraw/zinc/46/10/91/1089461091.db2.gz SDWCUSLHBQSBKW-MOPGFXCFSA-N 0 1 355.869 4.104 20 30 FIEDMN C=CCCn1cc(CSc2nc3ccc(C(F)(F)F)cc3[nH]2)nn1 ZINC000655481774 1089541722 /nfs/dbraw/zinc/54/17/22/1089541722.db2.gz JSDJLTCDMATVRS-UHFFFAOYSA-N 0 1 353.373 4.042 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2c(F)cccc2Oc2ccccc2)s1 ZINC000435485242 1089703218 /nfs/dbraw/zinc/70/32/18/1089703218.db2.gz URWCUZIMEYOVJQ-UHFFFAOYSA-N 0 1 374.418 4.352 20 30 FIEDMN N#CC(C(=O)CCCC(=O)c1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000893061151 1089765246 /nfs/dbraw/zinc/76/52/46/1089765246.db2.gz DYDUYPPAFZXPJR-HNNXBMFYSA-N 0 1 360.335 4.330 20 30 FIEDMN Cc1nc2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2[nH]1 ZINC000549344379 1089855791 /nfs/dbraw/zinc/85/57/91/1089855791.db2.gz BLASAKKVMHGFJT-GFCCVEGCSA-N 0 1 350.447 4.375 20 30 FIEDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccccc3-c3ccccc3C#N)n2)o1 ZINC000181888978 1090019608 /nfs/dbraw/zinc/01/96/08/1090019608.db2.gz OIXUCFCSZTXNAH-UHFFFAOYSA-N 0 1 369.384 4.164 20 30 FIEDMN N#Cc1nc(-c2ccco2)oc1N1CCN(CC/C=C/c2ccccc2)CC1 ZINC001167739573 1090555493 /nfs/dbraw/zinc/55/54/93/1090555493.db2.gz DQOLNGUVRXPJPA-RUDMXATFSA-N 0 1 374.444 4.032 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2sccc2OC)ccc1OC ZINC000186211192 1090623813 /nfs/dbraw/zinc/62/38/13/1090623813.db2.gz MYNLFVSQMYCHIC-ZFWWWQNUSA-N 0 1 360.479 4.297 20 30 FIEDMN COc1cc(CNCc2ccc(Cl)c(Br)c2)ccc1C#N ZINC000584750835 1090840471 /nfs/dbraw/zinc/84/04/71/1090840471.db2.gz RKFVWAJMRXGCMV-UHFFFAOYSA-N 0 1 365.658 4.273 20 30 FIEDMN COC(=O)c1ccc(Cl)c(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000418145404 1091082302 /nfs/dbraw/zinc/08/23/02/1091082302.db2.gz MWXZWSNTEAUVJI-IBGZPJMESA-N 0 1 354.837 4.165 20 30 FIEDMN O=C(COc1ccccc1-c1ccccc1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053524639 1091105726 /nfs/dbraw/zinc/10/57/26/1091105726.db2.gz DODVNJMXGNOAFH-UHFFFAOYSA-N 0 1 371.400 4.201 20 30 FIEDMN CSc1ccc([C@H](C)N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000500234224 1091121237 /nfs/dbraw/zinc/12/12/37/1091121237.db2.gz VVUVPDFFZYLLJY-QWHCGFSZSA-N 0 1 357.479 4.168 20 30 FIEDMN CSc1ccc([C@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000500245372 1091140046 /nfs/dbraw/zinc/14/00/46/1091140046.db2.gz LPLDGZGEQNGGNI-LBPRGKRZSA-N 0 1 359.520 4.248 20 30 FIEDMN Cc1ccc2nc(NC(=O)c3ccc(COc4ccccc4C#N)o3)[nH]c2c1 ZINC000566624692 1091179440 /nfs/dbraw/zinc/17/94/40/1091179440.db2.gz KJDYTLLKHNEHCG-UHFFFAOYSA-N 0 1 372.384 4.167 20 30 FIEDMN C#CCCOc1ccc(CN[C@H](C)c2ccc(Br)cn2)cc1 ZINC000279864538 1092075212 /nfs/dbraw/zinc/07/52/12/1092075212.db2.gz SUJATABHNHULKE-CQSZACIVSA-N 0 1 359.267 4.097 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000520829093 1092287512 /nfs/dbraw/zinc/28/75/12/1092287512.db2.gz UVXPDXRGOIAJQQ-INIZCTEOSA-N 0 1 360.845 4.009 20 30 FIEDMN Cc1sc(Br)c(C(=O)C(C#N)c2cc(C)nc(C)n2)c1C ZINC000442138675 1092445606 /nfs/dbraw/zinc/44/56/06/1092445606.db2.gz QCUMDRHAFGYDDJ-LLVKDONJSA-N 0 1 364.268 4.024 20 30 FIEDMN Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc4c(nccc4C)[nH]3)cc2)cs1 ZINC000442530829 1092670987 /nfs/dbraw/zinc/67/09/87/1092670987.db2.gz QRDMOOJFRHDKFE-HNNXBMFYSA-N 0 1 373.441 4.188 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1O ZINC000442856445 1092828763 /nfs/dbraw/zinc/82/87/63/1092828763.db2.gz LJUCHPHFLMOBAQ-UHFFFAOYSA-N 0 1 362.360 4.234 20 30 FIEDMN C=CCC[C@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000187449178 1092891576 /nfs/dbraw/zinc/89/15/76/1092891576.db2.gz NLLOQNZGEDJTMG-OALUTQOASA-N 0 1 364.493 4.138 20 30 FIEDMN C=CCOc1ccc(CNCc2cc3c(cc2SC)OCCO3)cc1 ZINC000512568595 1092943731 /nfs/dbraw/zinc/94/37/31/1092943731.db2.gz JCLHQTLCPFMLOH-UHFFFAOYSA-N 0 1 357.475 4.034 20 30 FIEDMN N#Cc1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000512609691 1092997283 /nfs/dbraw/zinc/99/72/83/1092997283.db2.gz PDLLRWGZDQAUQN-UHFFFAOYSA-N 0 1 353.853 4.062 20 30 FIEDMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168933 1093039755 /nfs/dbraw/zinc/03/97/55/1093039755.db2.gz JSHIPAGSWZMCGF-CPJLOUKISA-N 0 1 354.519 4.418 20 30 FIEDMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168934 1093039986 /nfs/dbraw/zinc/03/99/86/1093039986.db2.gz JSHIPAGSWZMCGF-IVCQMTBJSA-N 0 1 354.519 4.418 20 30 FIEDMN CCN(CC)[C@H](C(=O)Nc1ccc(CC#N)cc1Cl)c1ccccc1 ZINC000411010181 1093044757 /nfs/dbraw/zinc/04/47/57/1093044757.db2.gz BPXZJTWYLKOXHH-IBGZPJMESA-N 0 1 355.869 4.428 20 30 FIEDMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)c3ccc(C#N)cc3F)ccc2NC1=O ZINC000512660671 1093098828 /nfs/dbraw/zinc/09/88/28/1093098828.db2.gz OIYDQQIYHKBMFM-QUJCMNEKSA-N 0 1 367.424 4.219 20 30 FIEDMN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(C#N)cc1F ZINC000512662126 1093101723 /nfs/dbraw/zinc/10/17/23/1093101723.db2.gz VRHKPOFEUKSEPG-LRTDBIEQSA-N 0 1 352.409 4.270 20 30 FIEDMN C=CCCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000443415075 1093110817 /nfs/dbraw/zinc/11/08/17/1093110817.db2.gz DSRHSZZLRJDVSX-UHFFFAOYSA-N 0 1 351.855 4.268 20 30 FIEDMN N#Cc1ccc(C2(NCc3cnc(CC(F)(F)F)s3)CCC2)cc1 ZINC000895214764 1093179669 /nfs/dbraw/zinc/17/96/69/1093179669.db2.gz HOBOQWFEPWHGKD-UHFFFAOYSA-N 0 1 351.397 4.289 20 30 FIEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000458830691 1093209488 /nfs/dbraw/zinc/20/94/88/1093209488.db2.gz GJVQKOOKDGTHCK-UXLLHSPISA-N 0 1 368.485 4.114 20 30 FIEDMN O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1cc(Br)ccc1F ZINC000178724949 1093253510 /nfs/dbraw/zinc/25/35/10/1093253510.db2.gz AYMWVYCQHJAKEV-LZCJLJQNSA-N 0 1 366.142 4.098 20 30 FIEDMN CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)Nc1cc(CC#N)ccn1 ZINC000576098583 1093385854 /nfs/dbraw/zinc/38/58/54/1093385854.db2.gz HPWRBMYKOGPWOD-UHFFFAOYSA-N 0 1 365.824 4.006 20 30 FIEDMN CC(C)(C)N(CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(F)cc1 ZINC000474150324 1093463027 /nfs/dbraw/zinc/46/30/27/1093463027.db2.gz AKWYGGXNQFBARL-UHFFFAOYSA-N 0 1 367.468 4.373 20 30 FIEDMN C=CCC[C@H](O)CN1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000433305499 1093560574 /nfs/dbraw/zinc/56/05/74/1093560574.db2.gz PQYDEKZCBDNMTD-DLBZAZTESA-N 0 1 357.416 4.184 20 30 FIEDMN CCCN(CCc1ccccn1)Cc1ccc(Br)cc1C#N ZINC001141817079 1093598320 /nfs/dbraw/zinc/59/83/20/1093598320.db2.gz WABTXAXJJFMLSY-UHFFFAOYSA-N 0 1 358.283 4.170 20 30 FIEDMN N#CC(C(=O)c1cccc(-n2cccc2)c1)c1nc(-c2ccncc2)cs1 ZINC000114620577 1093659957 /nfs/dbraw/zinc/65/99/57/1093659957.db2.gz AXPUDBWEEPKLTF-SFHVURJKSA-N 0 1 370.437 4.486 20 30 FIEDMN Cc1ccn(-c2ccc(C(=O)C(C#N)c3nc(C(C)C)cs3)cc2)n1 ZINC000474431728 1093774125 /nfs/dbraw/zinc/77/41/25/1093774125.db2.gz KKTRBOOJCNXJDD-MRXNPFEDSA-N 0 1 350.447 4.251 20 30 FIEDMN Cc1ccnn1-c1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000474428061 1093780050 /nfs/dbraw/zinc/78/00/50/1093780050.db2.gz BXSHNFCPFVUEFG-MRXNPFEDSA-N 0 1 350.447 4.251 20 30 FIEDMN CCOc1cc(CN(C)Cc2ccc(C#N)cc2C)ccc1OC(F)F ZINC000614397554 1093815208 /nfs/dbraw/zinc/81/52/08/1093815208.db2.gz DZFZGRHTIITXIQ-UHFFFAOYSA-N 0 1 360.404 4.499 20 30 FIEDMN N#Cc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1Cl ZINC000010514801 1093874612 /nfs/dbraw/zinc/87/46/12/1093874612.db2.gz RYICYELCUCTOSZ-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN CCO[C@@H](C)C(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000729070717 1093926123 /nfs/dbraw/zinc/92/61/23/1093926123.db2.gz SXZGWNDPYMWVJM-VGGFTTENSA-N 0 1 358.507 4.212 20 30 FIEDMN COCCOCc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000576551803 1093949260 /nfs/dbraw/zinc/94/92/60/1093949260.db2.gz OMYNWFQFDQWXSF-PKTZIBPZSA-N 0 1 364.489 4.121 20 30 FIEDMN COc1ccc(CN2CCc3ccccc3[C@@H]2C)cc1OCCCC#N ZINC000513701915 1094384690 /nfs/dbraw/zinc/38/46/90/1094384690.db2.gz BIJFQEDXUHJBEI-KRWDZBQOSA-N 0 1 350.462 4.497 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2ccccc2OCc2c(C)noc2C)n1 ZINC000041516571 1094642700 /nfs/dbraw/zinc/64/27/00/1094642700.db2.gz YLFPLEDGKGZRHS-HNNXBMFYSA-N 0 1 367.430 4.125 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2OCc2c(C)noc2C)n1 ZINC000041516571 1094642713 /nfs/dbraw/zinc/64/27/13/1094642713.db2.gz YLFPLEDGKGZRHS-HNNXBMFYSA-N 0 1 367.430 4.125 20 30 FIEDMN CC1(C)CC[C@@H]2C[C@H](NC(=O)[C@H]3CCc4[nH]nnc4C3)c3cccc1c32 ZINC000329072063 1094729338 /nfs/dbraw/zinc/72/93/38/1094729338.db2.gz ZIQGETMSFDSIHE-IGCXYCKISA-N 0 1 350.466 4.166 20 30 FIEDMN CC1(C)CC[C@@H]2C[C@H](NC(=O)[C@H]3CCc4nn[nH]c4C3)c3cccc1c32 ZINC000329072063 1094729349 /nfs/dbraw/zinc/72/93/49/1094729349.db2.gz ZIQGETMSFDSIHE-IGCXYCKISA-N 0 1 350.466 4.166 20 30 FIEDMN CC1(C)CC[C@@H]2C[C@H](NC(=O)[C@@H]3CCc4[nH]nnc4C3)c3cccc1c32 ZINC000329072064 1094729711 /nfs/dbraw/zinc/72/97/11/1094729711.db2.gz ZIQGETMSFDSIHE-XNJGSVPQSA-N 0 1 350.466 4.166 20 30 FIEDMN CC1(C)CC[C@@H]2C[C@H](NC(=O)[C@@H]3CCc4nn[nH]c4C3)c3cccc1c32 ZINC000329072064 1094729727 /nfs/dbraw/zinc/72/97/27/1094729727.db2.gz ZIQGETMSFDSIHE-XNJGSVPQSA-N 0 1 350.466 4.166 20 30 FIEDMN CSc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000501491691 1094733730 /nfs/dbraw/zinc/73/37/30/1094733730.db2.gz OVXQNQYIMUZOCX-GFCCVEGCSA-N 0 1 359.882 4.223 20 30 FIEDMN C[C@H]1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC12CCC2 ZINC000329107657 1094742038 /nfs/dbraw/zinc/74/20/38/1094742038.db2.gz DYDGACKEJXHJLM-ZDUSSCGKSA-N 0 1 365.424 4.021 20 30 FIEDMN CSc1ccccc1[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000501545550 1094758818 /nfs/dbraw/zinc/75/88/18/1094758818.db2.gz JSQBBMIZAMGUNO-GFCCVEGCSA-N 0 1 359.882 4.223 20 30 FIEDMN N#CCc1ccc(CN[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000501536218 1094763206 /nfs/dbraw/zinc/76/32/06/1094763206.db2.gz YBXJDJSLZKDWGE-KRWDZBQOSA-N 0 1 357.251 4.129 20 30 FIEDMN N#Cc1ccc(OC2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000513717182 1094773938 /nfs/dbraw/zinc/77/39/38/1094773938.db2.gz MHAKXSIAZLQMSP-HYXAFXHYSA-N 0 1 363.417 4.023 20 30 FIEDMN CN(CCc1cnccn1)C(=O)N[C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000329224939 1094787984 /nfs/dbraw/zinc/78/79/84/1094787984.db2.gz FVNMQTMNESHFDF-HNAYVOBHSA-N 0 1 364.493 4.165 20 30 FIEDMN CC(C)Oc1cccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000179322299 1094789432 /nfs/dbraw/zinc/78/94/32/1094789432.db2.gz IXHUOQQSUNGDKA-LBPRGKRZSA-N 0 1 370.359 4.104 20 30 FIEDMN COc1cccc(CCN(C)Cc2cc(Br)ccc2C#N)c1 ZINC001141902840 1094800662 /nfs/dbraw/zinc/80/06/62/1094800662.db2.gz GOCOVFALOSYRNA-UHFFFAOYSA-N 0 1 359.267 4.004 20 30 FIEDMN C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+]C[C@@H]2CCCn3ccnc32)CC1 ZINC000329285535 1094818097 /nfs/dbraw/zinc/81/80/97/1094818097.db2.gz OWFUXAHEAOUYMU-AVRDEDQJSA-N 0 1 366.509 4.118 20 30 FIEDMN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N[C@H]1CCCc2cn[nH]c21 ZINC000329286144 1094818596 /nfs/dbraw/zinc/81/85/96/1094818596.db2.gz OPPLVMQZHTUGFN-MSOLQXFVSA-N 0 1 354.429 4.066 20 30 FIEDMN O=C(Nc1ccccc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329429089 1094900870 /nfs/dbraw/zinc/90/08/70/1094900870.db2.gz HUKIMWZFEZNVQW-MRXNPFEDSA-N 0 1 353.470 4.278 20 30 FIEDMN O=C(CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1)NC1CCCCC1 ZINC000329446089 1094910038 /nfs/dbraw/zinc/91/00/38/1094910038.db2.gz LXAGUTAVFVUHRV-QGZVFWFLSA-N 0 1 373.545 4.321 20 30 FIEDMN Cc1cnc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)s1 ZINC000329491798 1094936541 /nfs/dbraw/zinc/93/65/41/1094936541.db2.gz VSPPOICQSHFPQB-CQSZACIVSA-N 0 1 374.514 4.042 20 30 FIEDMN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@H](C)c2c(C)cccc2C)C1 ZINC000329494824 1094937411 /nfs/dbraw/zinc/93/74/11/1094937411.db2.gz FMUJKCLILYTIRH-QZTJIDSGSA-N 0 1 354.498 4.374 20 30 FIEDMN Cc1cnn([C@@H]2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)C2)c1 ZINC000329499007 1094937436 /nfs/dbraw/zinc/93/74/36/1094937436.db2.gz GXXVBGVEZBZDGV-OAHLLOKOSA-N 0 1 359.499 4.188 20 30 FIEDMN C[C@@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc2c(c1)CCCC2 ZINC000329569625 1094976201 /nfs/dbraw/zinc/97/62/01/1094976201.db2.gz LYGNWUGAXBEMSS-OAHLLOKOSA-N 0 1 352.482 4.143 20 30 FIEDMN CCN(CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1C ZINC000501841773 1094980257 /nfs/dbraw/zinc/98/02/57/1094980257.db2.gz KAOOTGGXYQADKQ-UHFFFAOYSA-N 0 1 363.505 4.381 20 30 FIEDMN N#Cc1cc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)nc2ccccc12 ZINC000502167425 1095170988 /nfs/dbraw/zinc/17/09/88/1095170988.db2.gz KCUFZVDOPRYMFU-LJQANCHMSA-N 0 1 366.428 4.233 20 30 FIEDMN N#Cc1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)nc2ccccc12 ZINC000502167425 1095170991 /nfs/dbraw/zinc/17/09/91/1095170991.db2.gz KCUFZVDOPRYMFU-LJQANCHMSA-N 0 1 366.428 4.233 20 30 FIEDMN C[C@H](c1cc(F)ccc1F)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502192976 1095204199 /nfs/dbraw/zinc/20/41/99/1095204199.db2.gz GBHOHBIWPZVGRQ-CQSZACIVSA-N 0 1 369.415 4.248 20 30 FIEDMN [O-]C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)=[NH+][C@@H]1CCc2ccccc2C1 ZINC000329803684 1095270099 /nfs/dbraw/zinc/27/00/99/1095270099.db2.gz ZSPOHFUNWWAASM-NJDAHSKKSA-N 0 1 368.452 4.107 20 30 FIEDMN [O-]C(N[C@@H]1CCc2ccccc2C1)=[NH+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000329803684 1095270113 /nfs/dbraw/zinc/27/01/13/1095270113.db2.gz ZSPOHFUNWWAASM-NJDAHSKKSA-N 0 1 368.452 4.107 20 30 FIEDMN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1nc2ccccc2s1 ZINC000329804998 1095273065 /nfs/dbraw/zinc/27/30/65/1095273065.db2.gz KONUZKFQQDYGNK-OIISXLGYSA-N 0 1 373.522 4.290 20 30 FIEDMN CCn1cc(C2CCN(C([O-])=[NH+][C@H]3C[C@H](c4ccccc4C)C3)CC2)cn1 ZINC000329816063 1095274608 /nfs/dbraw/zinc/27/46/08/1095274608.db2.gz VSGWBNKUXVRQTM-KESTWPANSA-N 0 1 366.509 4.251 20 30 FIEDMN CC(C)c1nc([C@@H]2CCCCN2C(=O)Nc2nc3c(s2)CCCC3)n[nH]1 ZINC000329824271 1095281347 /nfs/dbraw/zinc/28/13/47/1095281347.db2.gz HUKOGEWINWURGV-ZDUSSCGKSA-N 0 1 374.514 4.036 20 30 FIEDMN CC(C)c1nc([C@@H]2CCCCN2CC(=O)N[C@H](C)c2cccs2)n[nH]1 ZINC000329859918 1095295702 /nfs/dbraw/zinc/29/57/02/1095295702.db2.gz XAHORYGDNPCXOG-KGLIPLIRSA-N 0 1 361.515 4.234 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCc2cn[nH]c2C1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000329869897 1095299826 /nfs/dbraw/zinc/29/98/26/1095299826.db2.gz ZMXJTISTMPXOCT-MJGOQNOKSA-N 0 1 372.900 4.452 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+]C[C@@]2(C)CCCS2)CC1 ZINC000329960107 1095331507 /nfs/dbraw/zinc/33/15/07/1095331507.db2.gz NSIPVNPXFIQPBZ-HXUWFJFHSA-N 0 1 372.538 4.181 20 30 FIEDMN O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000330000310 1095344080 /nfs/dbraw/zinc/34/40/80/1095344080.db2.gz WFLSELLBSVWMEG-JCNLHEQBSA-N 0 1 358.873 4.103 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+]C[C@@H]2CC=CCC2)CC1 ZINC000330002469 1095346784 /nfs/dbraw/zinc/34/67/84/1095346784.db2.gz YUWADHBXAQXGES-QGZVFWFLSA-N 0 1 352.482 4.252 20 30 FIEDMN CN(c1ccccc1NC(=O)N[C@@H]1CCCc2cn[nH]c21)C1CCCC1 ZINC000330134956 1095390254 /nfs/dbraw/zinc/39/02/54/1095390254.db2.gz SHLVKFXOCKUUTJ-QGZVFWFLSA-N 0 1 353.470 4.001 20 30 FIEDMN CC(C)c1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCCc4cn[nH]c43)C2)n1 ZINC000330142456 1095391550 /nfs/dbraw/zinc/39/15/50/1095391550.db2.gz QNSUQJVRXRNRGN-HUUCEWRRSA-N 0 1 373.526 4.161 20 30 FIEDMN CC[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC[C@H]1c1ccccc1 ZINC000330157715 1095398350 /nfs/dbraw/zinc/39/83/50/1095398350.db2.gz ZKEBCUGHHRAAHT-ATZDWAIDSA-N 0 1 352.482 4.217 20 30 FIEDMN Cc1nc2cccc(C(=O)N[C@@H]3c4ccccc4CC34CCOCC4)c2[nH]1 ZINC000330212571 1095420257 /nfs/dbraw/zinc/42/02/57/1095420257.db2.gz DSKMDYKBJSZXAQ-HXUWFJFHSA-N 0 1 361.445 4.270 20 30 FIEDMN Cc1n[nH]c([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4ccc(C(C)C)cc43)C2)n1 ZINC000330244424 1095430527 /nfs/dbraw/zinc/43/05/27/1095430527.db2.gz DDPCBIWQXCXGLA-IEBWSBKVSA-N 0 1 367.497 4.017 20 30 FIEDMN N#Cc1ccc(CNCc2cc3ccccc3nc2N2CCCCC2)s1 ZINC000421352263 1095545419 /nfs/dbraw/zinc/54/54/19/1095545419.db2.gz NSSVGPQICSZAFM-UHFFFAOYSA-N 0 1 362.502 4.448 20 30 FIEDMN N#Cc1ccc(C2=CCN(Cc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000502516748 1095552475 /nfs/dbraw/zinc/55/24/75/1095552475.db2.gz OBFFMPWPTPFKCI-UHFFFAOYSA-N 0 1 354.457 4.092 20 30 FIEDMN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000502966456 1095989839 /nfs/dbraw/zinc/98/98/39/1095989839.db2.gz ULAWOYQWTVNFFU-ZDUSSCGKSA-N 0 1 360.417 4.108 20 30 FIEDMN C[C@H]1C[C@@]1(NCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000503365731 1096369028 /nfs/dbraw/zinc/36/90/28/1096369028.db2.gz HTAIZBXOJSFFCY-KKSFZXQISA-N 0 1 367.880 4.112 20 30 FIEDMN Clc1ccc(C#CCN2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503402399 1096384930 /nfs/dbraw/zinc/38/49/30/1096384930.db2.gz ABFODGHMEXRLHH-SFHVURJKSA-N 0 1 353.897 4.104 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4sccc4CC#N)C3)[nH]c2c1 ZINC000866899157 1096575007 /nfs/dbraw/zinc/57/50/07/1096575007.db2.gz FEKWEUINGGIQTB-OAHLLOKOSA-N 0 1 364.474 4.019 20 30 FIEDMN COc1ccc(CSc2nc(C=Cc3ccc(C)o3)n[nH]2)cc1C#N ZINC000533009885 1098662566 /nfs/dbraw/zinc/66/25/66/1098662566.db2.gz SYSCAQIJFIPONC-VURMDHGXSA-N 0 1 352.419 4.049 20 30 FIEDMN Cc1oc(C#N)cc1C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000436124068 1098749725 /nfs/dbraw/zinc/74/97/25/1098749725.db2.gz GGYGSXMMIMAUDF-UHFFFAOYSA-N 0 1 374.375 4.318 20 30 FIEDMN C[C@@H](c1c(F)cccc1F)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000533220547 1098885594 /nfs/dbraw/zinc/88/55/94/1098885594.db2.gz MMDRZBTZBZUWTM-INIZCTEOSA-N 0 1 355.432 4.105 20 30 FIEDMN CN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436756137 1099292305 /nfs/dbraw/zinc/29/23/05/1099292305.db2.gz PLJLOZQGOBLUNO-UHFFFAOYSA-N 0 1 350.805 4.343 20 30 FIEDMN N#CCCn1cc(CNCc2ccccc2Cl)c(-c2ccccc2)n1 ZINC000072713604 1099348879 /nfs/dbraw/zinc/34/88/79/1099348879.db2.gz OVSGTWKAUCWERX-UHFFFAOYSA-N 0 1 350.853 4.407 20 30 FIEDMN CC(C)[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)N(C)C ZINC000437469956 1099941748 /nfs/dbraw/zinc/94/17/48/1099941748.db2.gz GTMBVUJUYUOBJL-LJQANCHMSA-N 0 1 355.413 4.014 20 30 FIEDMN C=CCN(Cc1ccc(OC[C@H]2CCCO2)cc1)Cc1cccc(C#N)c1 ZINC000536654775 1100110861 /nfs/dbraw/zinc/11/08/61/1100110861.db2.gz HUEJNIOOCSIRSJ-HSZRJFAPSA-N 0 1 362.473 4.304 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(-n2cccn2)c(F)c1 ZINC000517401661 1100339157 /nfs/dbraw/zinc/33/91/57/1100339157.db2.gz XPGJDDNSUXWWSJ-ZIAGYGMSSA-N 0 1 352.388 4.434 20 30 FIEDMN N#Cc1ccccc1-c1ccc(CN[C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000517595680 1100529005 /nfs/dbraw/zinc/52/90/05/1100529005.db2.gz AODOCXNFISCQRQ-FQEVSTJZSA-N 0 1 371.469 4.284 20 30 FIEDMN C=CCc1cc(CN2CC=C(c3ccc(O)cc3)CC2)cc(OC)c1O ZINC000506257158 1100695207 /nfs/dbraw/zinc/69/52/07/1100695207.db2.gz BBQXALWQWBUGSS-UHFFFAOYSA-N 0 1 351.446 4.124 20 30 FIEDMN CC(C)(C)c1nc2ccc(NS(=O)(=O)c3ccccc3C#N)cc2s1 ZINC000438770435 1100907557 /nfs/dbraw/zinc/90/75/57/1100907557.db2.gz DWBAXHVYTBTWIR-UHFFFAOYSA-N 0 1 371.487 4.266 20 30 FIEDMN N#Cc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)c(Cl)c1 ZINC000426154717 1100923952 /nfs/dbraw/zinc/92/39/52/1100923952.db2.gz WJSXVIOOBBOCAZ-QGZVFWFLSA-N 0 1 372.856 4.153 20 30 FIEDMN N#Cc1ccc2ncc(CN3Cc4ccccc4[C@H](c4ccccc4)C3)n2c1 ZINC000506393867 1100957592 /nfs/dbraw/zinc/95/75/92/1100957592.db2.gz HEOJNXAAMPNQMB-QHCPKHFHSA-N 0 1 364.452 4.354 20 30 FIEDMN Cc1sc(NC(=O)CN(C)CCCCc2ccccc2)c(C#N)c1C ZINC000426357365 1101364695 /nfs/dbraw/zinc/36/46/95/1101364695.db2.gz PTQXIZGDVJSKPJ-UHFFFAOYSA-N 0 1 355.507 4.130 20 30 FIEDMN C[C@@H](N[C@@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1cccc(C#N)c1 ZINC000475704639 1101369686 /nfs/dbraw/zinc/36/96/86/1101369686.db2.gz HWIQDGAKQZXKAX-QWHCGFSZSA-N 0 1 351.381 4.121 20 30 FIEDMN N#Cc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(Cl)c1 ZINC000439455010 1101462676 /nfs/dbraw/zinc/46/26/76/1101462676.db2.gz SSIJRTKKLGZNNO-HXUWFJFHSA-N 0 1 354.837 4.224 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000475744633 1101568965 /nfs/dbraw/zinc/56/89/65/1101568965.db2.gz AFIYXQIMXAZICJ-QZWWFDLISA-N 0 1 359.539 4.386 20 30 FIEDMN COc1ccc(C#N)cc1NS(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506618114 1101577073 /nfs/dbraw/zinc/57/70/73/1101577073.db2.gz RGKRXVSNUOGLMT-UHFFFAOYSA-N 0 1 364.426 4.035 20 30 FIEDMN C[C@@H](c1ccc(Br)cc1)N1CCN(CCC(C)(C)C#N)CC1 ZINC000537363393 1101697564 /nfs/dbraw/zinc/69/75/64/1101697564.db2.gz PDHRDYDXBRYQPV-HNNXBMFYSA-N 0 1 364.331 4.068 20 30 FIEDMN CC(C)(C#N)c1ccc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000476067292 1101855089 /nfs/dbraw/zinc/85/50/89/1101855089.db2.gz KCFQOCZPPJJXEN-UHFFFAOYSA-N 0 1 365.824 4.179 20 30 FIEDMN N#CC(C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)c1ccncn1 ZINC000760346169 1101923076 /nfs/dbraw/zinc/92/30/76/1101923076.db2.gz PHEPQBXORCQWGL-OAQYLSRUSA-N 0 1 353.425 4.247 20 30 FIEDMN N#C[C@H](C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccncn1 ZINC000760350496 1101931036 /nfs/dbraw/zinc/93/10/36/1101931036.db2.gz AEJPETIDNQRKSA-ZNMIVQPWSA-N 0 1 360.442 4.013 20 30 FIEDMN Cn1c(NN=Cc2ccc(Cl)c3cccnc23)nnc1-c1ccccc1 ZINC000760242276 1101948232 /nfs/dbraw/zinc/94/82/32/1101948232.db2.gz HWHFLKXXFIUAPG-UHFFFAOYSA-N 0 1 362.824 4.130 20 30 FIEDMN O=C([O-])c1ccc(N=NC2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c(F)c1 ZINC000841641749 1101997741 /nfs/dbraw/zinc/99/77/41/1101997741.db2.gz UQNBXUBORMMSCL-HXUWFJFHSA-N 0 1 367.424 4.291 20 30 FIEDMN N#Cc1cccc(COc2ccc(NC(=O)c3cccc4cn[nH]c43)cc2)c1 ZINC000102760796 1102000904 /nfs/dbraw/zinc/00/09/04/1102000904.db2.gz MTOCZTIEWBIWSG-UHFFFAOYSA-N 0 1 368.396 4.266 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000127603245 1102089689 /nfs/dbraw/zinc/08/96/89/1102089689.db2.gz LGMUUMIRMHYZBR-KKUMJFAQSA-N 0 1 355.869 4.128 20 30 FIEDMN Cc1nc(CNC(=O)OC(C)(C)C)ccc1C(C)N=Nc1ccccc1F ZINC000760250456 1102163777 /nfs/dbraw/zinc/16/37/77/1102163777.db2.gz NCFPBLHZTWVDEY-UHFFFAOYSA-N 0 1 372.444 4.390 20 30 FIEDMN Cc1cccnc1[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000120967885 1102291420 /nfs/dbraw/zinc/29/14/20/1102291420.db2.gz GPPQQHSLLFLONB-ICSRJNTNSA-N 0 1 364.493 4.012 20 30 FIEDMN Cc1ccccc1C(NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1C ZINC000546181549 1102363536 /nfs/dbraw/zinc/36/35/36/1102363536.db2.gz YQKCOMZDJXJLHP-QHCPKHFHSA-N 0 1 363.505 4.037 20 30 FIEDMN C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000532519849 1102451377 /nfs/dbraw/zinc/45/13/77/1102451377.db2.gz RWTSNTADFHBPLE-CABCVRRESA-N 0 1 367.518 4.171 20 30 FIEDMN C[C@H](CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000532519849 1102451389 /nfs/dbraw/zinc/45/13/89/1102451389.db2.gz RWTSNTADFHBPLE-CABCVRRESA-N 0 1 367.518 4.171 20 30 FIEDMN CC(C)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nn1-c1ccccc1 ZINC000121871693 1102465776 /nfs/dbraw/zinc/46/57/76/1102465776.db2.gz NAUPOLRTCSENIO-INIZCTEOSA-N 0 1 369.428 4.362 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c(C#N)c1C ZINC000532569064 1102491811 /nfs/dbraw/zinc/49/18/11/1102491811.db2.gz SPHCVWHMWQGSEA-OCCSQVGLSA-N 0 1 373.884 4.484 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(F)c1 ZINC000532639279 1102634695 /nfs/dbraw/zinc/63/46/95/1102634695.db2.gz GIFGEKNNRUCFME-INIZCTEOSA-N 0 1 355.482 4.412 20 30 FIEDMN C=C(C)[C@@H](NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)c1ccc(F)c(F)c1 ZINC000476751983 1102754233 /nfs/dbraw/zinc/75/42/33/1102754233.db2.gz BAJGNDHNQVPGMB-IFXJQAMLSA-N 0 1 373.447 4.350 20 30 FIEDMN COC(=O)c1cc2ccccc2c(C[N@@H+](CCC#N)CC(C)(C)C)c1O ZINC000729468028 1102793585 /nfs/dbraw/zinc/79/35/85/1102793585.db2.gz LRXBXARHDVDUJF-UHFFFAOYSA-N 0 1 354.450 4.094 20 30 FIEDMN COC(=O)c1cc2ccccc2c(CN(CCC#N)CC(C)(C)C)c1O ZINC000729468028 1102793593 /nfs/dbraw/zinc/79/35/93/1102793593.db2.gz LRXBXARHDVDUJF-UHFFFAOYSA-N 0 1 354.450 4.094 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000102038923 1102817500 /nfs/dbraw/zinc/81/75/00/1102817500.db2.gz NZAWEBDLSGWFGG-SFHVURJKSA-N 0 1 373.522 4.184 20 30 FIEDMN Cc1cccc(CN(CCC(=O)Nc2ccccc2C#N)Cc2ccco2)c1 ZINC000506935502 1102971753 /nfs/dbraw/zinc/97/17/53/1102971753.db2.gz BXZYNHIPXCVQNF-UHFFFAOYSA-N 0 1 373.456 4.491 20 30 FIEDMN N#Cc1ccc(CNCc2c(-c3ccccc3)nc3sccn23)c(F)c1 ZINC000729856973 1102992673 /nfs/dbraw/zinc/99/26/73/1102992673.db2.gz ROMHJKWWZQHEDO-UHFFFAOYSA-N 0 1 362.433 4.363 20 30 FIEDMN C=C(Br)CNCc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000729682804 1103051082 /nfs/dbraw/zinc/05/10/82/1103051082.db2.gz OJBIUUDXCUXCJK-UHFFFAOYSA-N 0 1 372.266 4.439 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cccc(C)c2C)no1 ZINC001211975326 1103130444 /nfs/dbraw/zinc/13/04/44/1103130444.db2.gz DFEUPFHXTJMEPH-HKUYNNGSSA-N 0 1 357.498 4.432 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC001211975765 1103134042 /nfs/dbraw/zinc/13/40/42/1103134042.db2.gz PKLGROFCCFSTAG-PBHICJAKSA-N 0 1 365.424 4.093 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cccc(CC)c2)no1 ZINC001211975735 1103134528 /nfs/dbraw/zinc/13/45/28/1103134528.db2.gz ONPCLZIQVPJWIN-MOPGFXCFSA-N 0 1 357.498 4.377 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cccc(F)c2C)no1 ZINC001211976023 1103138925 /nfs/dbraw/zinc/13/89/25/1103138925.db2.gz XKBDQGBKLVPVDQ-YJBOKZPZSA-N 0 1 361.461 4.262 20 30 FIEDMN C[C@@H](NC(=O)CNC1(c2cccc(C#N)c2)CC1)c1cccc2ccccc21 ZINC000551412106 1103189510 /nfs/dbraw/zinc/18/95/10/1103189510.db2.gz RFZVYEHYERJRGD-QGZVFWFLSA-N 0 1 369.468 4.168 20 30 FIEDMN C=C(C)[C@H](NC(=O)NCc1nc2cccc(C)c2[nH]1)c1ccc(F)c(F)c1 ZINC000477201812 1103227093 /nfs/dbraw/zinc/22/70/93/1103227093.db2.gz CPSKJRUIAQAEDT-SFHVURJKSA-N 0 1 370.403 4.266 20 30 FIEDMN Cc1[nH]nc2cc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)ccc12 ZINC000537704376 1103431041 /nfs/dbraw/zinc/43/10/41/1103431041.db2.gz NCJIOZRNMDAXFN-UHFFFAOYSA-N 0 1 369.384 4.183 20 30 FIEDMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000551713611 1103551097 /nfs/dbraw/zinc/55/10/97/1103551097.db2.gz FUZRZPJUPFHHNR-INIZCTEOSA-N 0 1 373.456 4.103 20 30 FIEDMN CC(C)Oc1ncccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000551771137 1103611686 /nfs/dbraw/zinc/61/16/86/1103611686.db2.gz GAMLXJCQVQMJIJ-CYBMUJFWSA-N 0 1 370.359 4.104 20 30 FIEDMN CC(C)Oc1ncccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000551771137 1103611688 /nfs/dbraw/zinc/61/16/88/1103611688.db2.gz GAMLXJCQVQMJIJ-CYBMUJFWSA-N 0 1 370.359 4.104 20 30 FIEDMN Cc1cccn2cc(COc3ccc(CN4CCC(C)(C#N)CC4)cc3)nc12 ZINC000507708499 1103644666 /nfs/dbraw/zinc/64/46/66/1103644666.db2.gz MTSPWRWEQAJGQP-UHFFFAOYSA-N 0 1 374.488 4.347 20 30 FIEDMN N#Cc1ccccc1-c1ccc(CN2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000141037969 1103964867 /nfs/dbraw/zinc/96/48/67/1103964867.db2.gz GZELBMGKIPDBLY-HXUWFJFHSA-N 0 1 374.406 4.360 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cnn(C)c2-c2ccccc2)n1 ZINC000538176710 1104009737 /nfs/dbraw/zinc/00/97/37/1104009737.db2.gz MIVIOUYJKPKCGY-CQSZACIVSA-N 0 1 350.447 4.157 20 30 FIEDMN C[C@H](NCC#Cc1cccc(Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000538207690 1104050097 /nfs/dbraw/zinc/05/00/97/1104050097.db2.gz GBMGNILQDNPHII-INIZCTEOSA-N 0 1 352.865 4.169 20 30 FIEDMN Cn1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)c(-c2cccs2)n1 ZINC000538304398 1104125284 /nfs/dbraw/zinc/12/52/84/1104125284.db2.gz ISOXPPBAYSFZSM-UHFFFAOYSA-N 0 1 360.486 4.310 20 30 FIEDMN CCN(Cc1ccccc1)C(=O)CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000520173959 1104141272 /nfs/dbraw/zinc/14/12/72/1104141272.db2.gz KWKVDHUIXUCIQE-UHFFFAOYSA-N 0 1 363.505 4.065 20 30 FIEDMN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3C[C@H]3c3ccc4ccccc4c3)C2)c1 ZINC000328599840 1104531782 /nfs/dbraw/zinc/53/17/82/1104531782.db2.gz CNIDCYCVHQYKED-BHIFYINESA-N 0 1 374.488 4.452 20 30 FIEDMN [O-]C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)=[NH+][C@@H]1CCc2ccccc2C1 ZINC000328759866 1104552482 /nfs/dbraw/zinc/55/24/82/1104552482.db2.gz XCMOYZXFMQRKDO-BHDDXSALSA-N 0 1 364.489 4.215 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2)n[nH]1 ZINC000328730409 1104558208 /nfs/dbraw/zinc/55/82/08/1104558208.db2.gz HYBJNCXJFMOGKB-OXQOHEQNSA-N 0 1 366.509 4.452 20 30 FIEDMN Cn1cc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c(C2CCCCC2)n1 ZINC000328816508 1104562074 /nfs/dbraw/zinc/56/20/74/1104562074.db2.gz GXUSCZPVEHBJKS-FPOVZHCZSA-N 0 1 366.509 4.218 20 30 FIEDMN C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328868560 1104584468 /nfs/dbraw/zinc/58/44/68/1104584468.db2.gz XLTWPVFLURQNQX-DZGCQCFKSA-N 0 1 359.495 4.021 20 30 FIEDMN Cn1c2c(nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(F)c1)CCCC2 ZINC000328915780 1104600611 /nfs/dbraw/zinc/60/06/11/1104600611.db2.gz ACTPIUJYIZIPDV-LJQANCHMSA-N 0 1 370.472 4.253 20 30 FIEDMN Cn1c2c(nc1[C@H]1CCCN1CCC(=O)Nc1cccc(F)c1)CCCC2 ZINC000328915780 1104600618 /nfs/dbraw/zinc/60/06/18/1104600618.db2.gz ACTPIUJYIZIPDV-LJQANCHMSA-N 0 1 370.472 4.253 20 30 FIEDMN CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000487395204 1105033745 /nfs/dbraw/zinc/03/37/45/1105033745.db2.gz PRZMCXWWFNPRNI-NRFANRHFSA-N 0 1 361.489 4.115 20 30 FIEDMN CC(C)Oc1ccccc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507806303 1105154513 /nfs/dbraw/zinc/15/45/13/1105154513.db2.gz ZEGLZJFEBQIDAH-UHFFFAOYSA-N 0 1 350.462 4.389 20 30 FIEDMN CCCc1cccc(C(C)C)c1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427749655 1105266262 /nfs/dbraw/zinc/26/62/62/1105266262.db2.gz QMVAIHQNUZFXII-UHFFFAOYSA-N 0 1 357.479 4.138 20 30 FIEDMN CNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000507941161 1105278742 /nfs/dbraw/zinc/27/87/42/1105278742.db2.gz WPKUOCILCSBTQP-UHFFFAOYSA-N 0 1 371.849 4.207 20 30 FIEDMN COc1cc(Br)ccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000427861029 1105301309 /nfs/dbraw/zinc/30/13/09/1105301309.db2.gz RITKVZVLPPFBKG-SFHVURJKSA-N 0 1 371.278 4.497 20 30 FIEDMN Cn1c(CN[C@@H]2CCCc3cc(C#N)ccc32)nc2cc(Cl)ccc21 ZINC000427888532 1105311852 /nfs/dbraw/zinc/31/18/52/1105311852.db2.gz DMALIQZHJFXETQ-QGZVFWFLSA-N 0 1 350.853 4.266 20 30 FIEDMN N#CC[C@H](CC(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 ZINC000530369026 1106988175 /nfs/dbraw/zinc/98/81/75/1106988175.db2.gz KQFQLPTVYRPYHU-OAHLLOKOSA-N 0 1 365.824 4.151 20 30 FIEDMN C[C@@H](N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)C(=O)Nc1ccccc1C#N ZINC000451350505 1107047198 /nfs/dbraw/zinc/04/71/98/1107047198.db2.gz CXAFFNOYTVZGGX-CWTRNNRKSA-N 0 1 371.843 4.419 20 30 FIEDMN C=CCC[C@@H](O)CN(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000451381961 1107059830 /nfs/dbraw/zinc/05/98/30/1107059830.db2.gz GZMIEDJSEOWXAG-LJQANCHMSA-N 0 1 364.411 4.430 20 30 FIEDMN COc1cc(OC)cc(OCCC[N@@H+](C)CC#Cc2cccc(Cl)c2)c1 ZINC001168069333 1107642737 /nfs/dbraw/zinc/64/27/37/1107642737.db2.gz UEGNHCJYSUQZEJ-UHFFFAOYSA-N 0 1 373.880 4.110 20 30 FIEDMN COc1cc(OC)cc(OCCCN(C)CC#Cc2cccc(Cl)c2)c1 ZINC001168069333 1107642755 /nfs/dbraw/zinc/64/27/55/1107642755.db2.gz UEGNHCJYSUQZEJ-UHFFFAOYSA-N 0 1 373.880 4.110 20 30 FIEDMN COc1ccc(CNc2nccn2-c2ccccc2)cc1OCCCC#N ZINC000508507932 1108159476 /nfs/dbraw/zinc/15/94/76/1108159476.db2.gz WXMHVJPUOQTIDK-UHFFFAOYSA-N 0 1 362.433 4.176 20 30 FIEDMN CCCN(CC(=O)N(CC)C[C@@H](C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000531841944 1108254721 /nfs/dbraw/zinc/25/47/21/1108254721.db2.gz MQWBIEMHQVCLDY-DLBZAZTESA-N 0 1 355.482 4.214 20 30 FIEDMN CSc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000440628863 1108348554 /nfs/dbraw/zinc/34/85/54/1108348554.db2.gz YLYFKBQLDKZZAZ-STQMWFEESA-N 0 1 357.479 4.168 20 30 FIEDMN CSc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000440628861 1108372277 /nfs/dbraw/zinc/37/22/77/1108372277.db2.gz YLYFKBQLDKZZAZ-QWHCGFSZSA-N 0 1 357.479 4.168 20 30 FIEDMN C=CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000508519006 1108425239 /nfs/dbraw/zinc/42/52/39/1108425239.db2.gz IOPMXJVGNJCBAI-UHFFFAOYSA-N 0 1 362.433 4.184 20 30 FIEDMN N#CC(C(=O)c1ccnn1C1CCCC1)c1nc(-c2ccncc2)cs1 ZINC000531976521 1108489593 /nfs/dbraw/zinc/48/95/93/1108489593.db2.gz VYAFNCZOVNHQSR-HNNXBMFYSA-N 0 1 363.446 4.007 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cc(-c3ccccc3)nn2C)n1 ZINC000453688306 1108688026 /nfs/dbraw/zinc/68/80/26/1108688026.db2.gz HLMGJJYOIIYGRK-AWEZNQCLSA-N 0 1 350.447 4.157 20 30 FIEDMN N#Cc1ccsc1C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440751963 1108735802 /nfs/dbraw/zinc/73/58/02/1108735802.db2.gz MTHRPUMFMUVKHI-CQSZACIVSA-N 0 1 356.838 4.127 20 30 FIEDMN C=CCCCCCN(C)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000524147683 1108859033 /nfs/dbraw/zinc/85/90/33/1108859033.db2.gz BZQJBTMACMLHQA-UHFFFAOYSA-N 0 1 350.260 4.144 20 30 FIEDMN C[C@@H](OC[C@@H](O)CN(CCC#N)CC(C)(C)C)c1ccc(Cl)cc1 ZINC000524811535 1109162080 /nfs/dbraw/zinc/16/20/80/1109162080.db2.gz NDKFQWMJALJPPD-QAPCUYQASA-N 0 1 352.906 4.040 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000524890086 1109196749 /nfs/dbraw/zinc/19/67/49/1109196749.db2.gz YJAKMXITTPXLHC-XMSQKQJNSA-N 0 1 366.480 4.288 20 30 FIEDMN N#C[C@@H]1CCC[C@@H](NCc2ccc(Cl)cc2I)C1 ZINC000446850270 1109358252 /nfs/dbraw/zinc/35/82/52/1109358252.db2.gz XMZIWESSKHVLIW-ZWNOBZJWSA-N 0 1 374.653 4.117 20 30 FIEDMN CCCN(C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000525454356 1109389929 /nfs/dbraw/zinc/38/99/29/1109389929.db2.gz XNTBDTNUSHYMDM-SFHVURJKSA-N 0 1 355.869 4.276 20 30 FIEDMN O=S(=O)(Nc1cc(F)c(F)c(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000525482238 1109398725 /nfs/dbraw/zinc/39/87/25/1109398725.db2.gz IBDHLOHYDMOBRB-UHFFFAOYSA-N 0 1 373.249 4.063 20 30 FIEDMN N#Cc1ccc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c(C(F)(F)F)c1 ZINC000525823057 1109527017 /nfs/dbraw/zinc/52/70/17/1109527017.db2.gz AMDADWWJTBPHAE-UHFFFAOYSA-N 0 1 361.302 4.113 20 30 FIEDMN N#Cc1ccc(NCc2n[nH]c(-c3ccc(F)cc3)n2)c(C(F)(F)F)c1 ZINC000525823057 1109527021 /nfs/dbraw/zinc/52/70/21/1109527021.db2.gz AMDADWWJTBPHAE-UHFFFAOYSA-N 0 1 361.302 4.113 20 30 FIEDMN COc1ccc([C@H](N[C@H]2CCC[C@H](C#N)C2)c2ccccc2OC)cc1 ZINC000447576265 1109592923 /nfs/dbraw/zinc/59/29/23/1109592923.db2.gz XMCOCCJDCIUIGH-ZJBJCVSYSA-N 0 1 350.462 4.465 20 30 FIEDMN CC(C)Cc1ncc(CNC2(c3ccc(C#N)cc3)CCOCC2)s1 ZINC000527812175 1109827987 /nfs/dbraw/zinc/82/79/87/1109827987.db2.gz RDRPKJOTRHSXCC-UHFFFAOYSA-N 0 1 355.507 4.009 20 30 FIEDMN C=C(C)COc1cc(CNCc2ccnc(C(F)(F)F)c2)ccc1OC ZINC000449438599 1110079425 /nfs/dbraw/zinc/07/94/25/1110079425.db2.gz QKVVWRQPHYCBAE-UHFFFAOYSA-N 0 1 366.383 4.354 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(O[C@H]4CC4(F)F)cc3)[nH]c21 ZINC000528954702 1110157692 /nfs/dbraw/zinc/15/76/92/1110157692.db2.gz UVCTUANKVMCGQE-ZBFHGGJFSA-N 0 1 367.355 4.148 20 30 FIEDMN COc1ccc(C[C@@H](NCC2(C#N)CCC2)c2ccc(OC)cc2)cc1 ZINC000450519512 1110310179 /nfs/dbraw/zinc/31/01/79/1110310179.db2.gz SNDWEKSBNVVTLU-OAQYLSRUSA-N 0 1 350.462 4.271 20 30 FIEDMN COc1ccc(C[C@H](NCC2(C#N)CCC2)c2ccccc2)cc1OC ZINC000450667252 1110327511 /nfs/dbraw/zinc/32/75/11/1110327511.db2.gz KKHDHGXAZJLGCF-IBGZPJMESA-N 0 1 350.462 4.271 20 30 FIEDMN COc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1OC(F)F ZINC000538508993 1111174055 /nfs/dbraw/zinc/17/40/55/1111174055.db2.gz SJLDVEDGWQZXEX-NSHDSACASA-N 0 1 350.340 4.158 20 30 FIEDMN FC(F)(F)c1ccc(C#CCNCc2cnc(-c3ccccn3)s2)cc1 ZINC000538603424 1111209211 /nfs/dbraw/zinc/20/92/11/1111209211.db2.gz DGCTXRZUAQTUGA-UHFFFAOYSA-N 0 1 373.403 4.365 20 30 FIEDMN Cc1nc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c(Cl)cc1C#N ZINC000461947531 1111445687 /nfs/dbraw/zinc/44/56/87/1111445687.db2.gz KBENLDMRGUAVFZ-INIZCTEOSA-N 0 1 364.840 4.042 20 30 FIEDMN Cc1nc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(Cl)cc1C#N ZINC000461947531 1111445689 /nfs/dbraw/zinc/44/56/89/1111445689.db2.gz KBENLDMRGUAVFZ-INIZCTEOSA-N 0 1 364.840 4.042 20 30 FIEDMN COCCSc1ccc([C@H](C)NCc2ccc(C#N)cc2OC)cc1 ZINC000539306655 1111514930 /nfs/dbraw/zinc/51/49/30/1111514930.db2.gz AWCFIEPUETYGIF-HNNXBMFYSA-N 0 1 356.491 4.156 20 30 FIEDMN C=CCC1(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)CCC1 ZINC000478269796 1111731408 /nfs/dbraw/zinc/73/14/08/1111731408.db2.gz YIAPUXWVNUWDRP-FQEVSTJZSA-N 0 1 356.510 4.085 20 30 FIEDMN CCC(CC)n1nccc1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000151326432 1111735697 /nfs/dbraw/zinc/73/56/97/1111735697.db2.gz FZEZOLBPNJLIIW-HNNXBMFYSA-N 0 1 365.462 4.253 20 30 FIEDMN C=CCC1(C(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)CCC1 ZINC000478869502 1111906506 /nfs/dbraw/zinc/90/65/06/1111906506.db2.gz MBPKPTNBPQYJDF-LJQANCHMSA-N 0 1 356.510 4.085 20 30 FIEDMN C[C@H]1C[C@@H](c2cccnc2)N(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000554262654 1112271019 /nfs/dbraw/zinc/27/10/19/1112271019.db2.gz CFZCZEXGQRWVTG-KXBFYZLASA-N 0 1 360.379 4.415 20 30 FIEDMN COc1cc(OC)cc(C2(F)CCN(CC#Cc3ccccc3)CC2)c1 ZINC000555125589 1112689188 /nfs/dbraw/zinc/68/91/88/1112689188.db2.gz KCBWBSXWFJFZKP-UHFFFAOYSA-N 0 1 353.437 4.016 20 30 FIEDMN N#Cc1ccc(CN2CCC(Cc3cccnc3)CC2)c(Br)c1 ZINC000481251709 1112831640 /nfs/dbraw/zinc/83/16/40/1112831640.db2.gz FJTUGFUPGMDBCT-UHFFFAOYSA-N 0 1 370.294 4.170 20 30 FIEDMN COc1ccc(-c2ccncc2)cc1CN1CCc2c(CC#N)cccc2C1 ZINC000600212700 1112925787 /nfs/dbraw/zinc/92/57/87/1112925787.db2.gz GYPVRFSGWMJLKH-UHFFFAOYSA-N 0 1 369.468 4.382 20 30 FIEDMN N#Cc1ccc(C2(NCc3ccsc3C(F)(F)F)CCOCC2)cc1 ZINC000600206303 1112928905 /nfs/dbraw/zinc/92/89/05/1112928905.db2.gz DOAMWRIWKOLNLZ-UHFFFAOYSA-N 0 1 366.408 4.434 20 30 FIEDMN CN(C)Cc1ccnc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 ZINC000482373183 1113238617 /nfs/dbraw/zinc/23/86/17/1113238617.db2.gz RAXDMFVMKGUEAW-UHFFFAOYSA-N 0 1 371.444 4.011 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccnc2OCc2ccccc2F)n1 ZINC000482563888 1113297059 /nfs/dbraw/zinc/29/70/59/1113297059.db2.gz JBVWSXPGVNFDJV-OAHLLOKOSA-N 0 1 367.405 4.055 20 30 FIEDMN N#C[C@@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccc2ccccc21 ZINC000483224675 1113464849 /nfs/dbraw/zinc/46/48/49/1113464849.db2.gz FYYMWOLIHDQUNO-OAHLLOKOSA-N 0 1 351.749 4.286 20 30 FIEDMN N#CC(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccc2ccccc21 ZINC000483224675 1113464853 /nfs/dbraw/zinc/46/48/53/1113464853.db2.gz FYYMWOLIHDQUNO-OAHLLOKOSA-N 0 1 351.749 4.286 20 30 FIEDMN C=CCOc1ccc(CN[C@H](c2ccncc2)C2(CO)CCC2)cc1Cl ZINC000668817168 1113845240 /nfs/dbraw/zinc/84/52/40/1113845240.db2.gz GVQORZVNBJPUQI-HXUWFJFHSA-N 0 1 372.896 4.293 20 30 FIEDMN CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490036725 1114206135 /nfs/dbraw/zinc/20/61/35/1114206135.db2.gz WQWMZNWHORDRKJ-KRWDZBQOSA-N 0 1 365.477 4.115 20 30 FIEDMN CCCN(Cc1ccc(OC)c(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490036725 1114206139 /nfs/dbraw/zinc/20/61/39/1114206139.db2.gz WQWMZNWHORDRKJ-KRWDZBQOSA-N 0 1 365.477 4.115 20 30 FIEDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000490044852 1114209737 /nfs/dbraw/zinc/20/97/37/1114209737.db2.gz GARGBEOQHJFJIG-HNNXBMFYSA-N 0 1 351.406 4.071 20 30 FIEDMN C[C@@H](NCCCOc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000490060083 1114211764 /nfs/dbraw/zinc/21/17/64/1114211764.db2.gz IAYXGOQGYMSPIU-LLVKDONJSA-N 0 1 355.385 4.153 20 30 FIEDMN CC(=NN=c1[nH]c2cc(F)c(F)cc2[nH]1)c1ccccc1OC(F)F ZINC000912825228 1114215711 /nfs/dbraw/zinc/21/57/11/1114215711.db2.gz MNOLQBPLDZCWFG-UHFFFAOYSA-N 0 1 352.291 4.279 20 30 FIEDMN C=CCN(CCc1ccco1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000490199830 1114236931 /nfs/dbraw/zinc/23/69/31/1114236931.db2.gz VOEIGYPVDJPEKH-UHFFFAOYSA-N 0 1 355.825 4.194 20 30 FIEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000056213143 1114665949 /nfs/dbraw/zinc/66/59/49/1114665949.db2.gz KNTSDPOWADIRST-UHFFFAOYSA-N 0 1 364.380 4.127 20 30 FIEDMN CN(CCOCc1ccc(C#N)cc1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000588980532 1114684736 /nfs/dbraw/zinc/68/47/36/1114684736.db2.gz WZTKTABXFNCXTO-UHFFFAOYSA-N 0 1 365.408 4.001 20 30 FIEDMN N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)o1 ZINC000129667958 1114699182 /nfs/dbraw/zinc/69/91/82/1114699182.db2.gz IYBMGYPCWUJMQI-QMMMGPOBSA-N 0 1 357.580 4.201 20 30 FIEDMN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)o1 ZINC000129667958 1114699183 /nfs/dbraw/zinc/69/91/83/1114699183.db2.gz IYBMGYPCWUJMQI-QMMMGPOBSA-N 0 1 357.580 4.201 20 30 FIEDMN COc1ccc(Br)cc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000573648535 1115160740 /nfs/dbraw/zinc/16/07/40/1115160740.db2.gz ZHZPHDJZIYHXPZ-QGZVFWFLSA-N 0 1 357.251 4.106 20 30 FIEDMN CCCCN(Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCc2ncsc2C1 ZINC000592187751 1115220012 /nfs/dbraw/zinc/22/00/12/1115220012.db2.gz LCHZVJBZLARQHE-OAHLLOKOSA-N 0 1 370.478 4.083 20 30 FIEDMN N#CC(C(=O)c1ccc2c(c1)OCCCO2)c1nc2cc(F)ccc2s1 ZINC000592974566 1115272817 /nfs/dbraw/zinc/27/28/17/1115272817.db2.gz UGINKCCHPCDPKB-ZDUSSCGKSA-N 0 1 368.389 4.087 20 30 FIEDMN CC[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)N(C)Cc1ccccc1 ZINC000574219208 1115295801 /nfs/dbraw/zinc/29/58/01/1115295801.db2.gz JTZIVFLLVWLKAV-LJQANCHMSA-N 0 1 355.869 4.255 20 30 FIEDMN C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC1(C#N)CCCC1 ZINC000593653528 1115338135 /nfs/dbraw/zinc/33/81/35/1115338135.db2.gz PFWCIEGMUCXRMK-CYBMUJFWSA-N 0 1 353.388 4.096 20 30 FIEDMN COc1c(Br)cccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594518547 1115458346 /nfs/dbraw/zinc/45/83/46/1115458346.db2.gz HVXCDJHXWSIKAA-UHFFFAOYSA-N 0 1 371.278 4.498 20 30 FIEDMN Cc1nn(-c2ccccc2Br)cc1CN1CCC(C)(C#N)CC1 ZINC000594606028 1115470149 /nfs/dbraw/zinc/47/01/49/1115470149.db2.gz QSLPDADFSIVYJE-UHFFFAOYSA-N 0 1 373.298 4.069 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000594781217 1115481055 /nfs/dbraw/zinc/48/10/55/1115481055.db2.gz AXTKYOQXSHDWAR-CHWSQXEVSA-N 0 1 371.294 4.052 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cc1 ZINC000059338817 1115491158 /nfs/dbraw/zinc/49/11/58/1115491158.db2.gz XGEBXUGKYGXRAP-UHFFFAOYSA-N 0 1 356.360 4.493 20 30 FIEDMN N#CC1(c2ccc(CN[C@H](CO)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000594936494 1115500781 /nfs/dbraw/zinc/50/07/81/1115500781.db2.gz MGKJQQBCMMXYGK-GOSISDBHSA-N 0 1 360.379 4.084 20 30 FIEDMN Cc1nc2cc(NCc3ccc(C4(C#N)CC4)cc3)ccc2n1[C@@H](C)CO ZINC000594946890 1115502185 /nfs/dbraw/zinc/50/21/85/1115502185.db2.gz UPNGQPFSPLADAD-HNNXBMFYSA-N 0 1 360.461 4.065 20 30 FIEDMN COc1ccc(Cl)cc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000594982315 1115505696 /nfs/dbraw/zinc/50/56/96/1115505696.db2.gz CORUVIDUTLDHAK-UHFFFAOYSA-N 0 1 356.853 4.016 20 30 FIEDMN N#Cc1cccc(C2(NCc3cnc(C4CCC4)s3)CCOCC2)c1 ZINC000594984176 1115505703 /nfs/dbraw/zinc/50/57/03/1115505703.db2.gz NRWFJLTVHOYWCA-UHFFFAOYSA-N 0 1 353.491 4.078 20 30 FIEDMN N#Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000595751226 1115561125 /nfs/dbraw/zinc/56/11/25/1115561125.db2.gz DIAZAFOREULSNT-RBUKOAKNSA-N 0 1 374.406 4.175 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000596097535 1115572151 /nfs/dbraw/zinc/57/21/51/1115572151.db2.gz YTDQPUNAMFCUTI-SFTDATJTSA-N 0 1 354.457 4.398 20 30 FIEDMN CN1CC[C@@H](Nc2nc3ncccc3cc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000596178076 1115576296 /nfs/dbraw/zinc/57/62/96/1115576296.db2.gz IBZSZBNYLKNJMG-MSOLQXFVSA-N 0 1 363.852 4.012 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CC3(C#N)CCCCC3)[nH]c2c1 ZINC000596999305 1115633985 /nfs/dbraw/zinc/63/39/85/1115633985.db2.gz VBUOMIXAPBBCAJ-SFHVURJKSA-N 0 1 350.466 4.399 20 30 FIEDMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027800 1115634505 /nfs/dbraw/zinc/63/45/05/1115634505.db2.gz RPBSJNYNNROLEP-LMKMVOKYSA-N 0 1 352.503 4.172 20 30 FIEDMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027799 1115634803 /nfs/dbraw/zinc/63/48/03/1115634803.db2.gz RPBSJNYNNROLEP-IVCQMTBJSA-N 0 1 352.503 4.172 20 30 FIEDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)CC1(C#N)CCCCC1 ZINC000597030344 1115635218 /nfs/dbraw/zinc/63/52/18/1115635218.db2.gz HPFFAKOLDWVIBD-UHFFFAOYSA-N 0 1 371.550 4.347 20 30 FIEDMN COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC[C@@H](CC#N)C2)c1 ZINC000597173874 1115646109 /nfs/dbraw/zinc/64/61/09/1115646109.db2.gz MLKZTEJUFXQODY-KRWDZBQOSA-N 0 1 366.509 4.439 20 30 FIEDMN Cc1nn(-c2cccc(Br)c2)cc1CN1CCC[C@@H](CC#N)C1 ZINC000597177445 1115646581 /nfs/dbraw/zinc/64/65/81/1115646581.db2.gz MJDCCRBZUJFWIN-HNNXBMFYSA-N 0 1 373.298 4.069 20 30 FIEDMN CC(C)CC1(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCCC1 ZINC000593353391 1115666044 /nfs/dbraw/zinc/66/60/44/1115666044.db2.gz LLAWWQKALTUFII-UHFFFAOYSA-N 0 1 367.537 4.245 20 30 FIEDMN C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000599049862 1115780713 /nfs/dbraw/zinc/78/07/13/1115780713.db2.gz UGCHZKUWVKPKAT-INIZCTEOSA-N 0 1 371.506 4.078 20 30 FIEDMN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)c2ccccc21 ZINC000593684958 1115792400 /nfs/dbraw/zinc/79/24/00/1115792400.db2.gz ANYOSTOFYBMKDL-UYAOXDASSA-N 0 1 366.436 4.357 20 30 FIEDMN N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)cc3O)cn2)c1 ZINC000603622158 1115799990 /nfs/dbraw/zinc/79/99/90/1115799990.db2.gz MPWVEZKTQCZZQE-UHFFFAOYSA-N 0 1 365.776 4.357 20 30 FIEDMN CC(C)c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000171146232 1115843361 /nfs/dbraw/zinc/84/33/61/1115843361.db2.gz SXQPPVVXEYYKIU-SNVBAGLBSA-N 0 1 365.817 4.020 20 30 FIEDMN CC(C)c1nc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000171146232 1115843363 /nfs/dbraw/zinc/84/33/63/1115843363.db2.gz SXQPPVVXEYYKIU-SNVBAGLBSA-N 0 1 365.817 4.020 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(OCC(F)(F)F)cc3)[nH]c21 ZINC000605363289 1115891270 /nfs/dbraw/zinc/89/12/70/1115891270.db2.gz SKCKWJCOGIFRQH-AWEZNQCLSA-N 0 1 373.334 4.303 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cnc4onc(C(C)C)c4c3)[nH]c21 ZINC000605362948 1115891367 /nfs/dbraw/zinc/89/13/67/1115891367.db2.gz ACMMYKUXJXQSMF-CQSZACIVSA-N 0 1 359.389 4.021 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1cccc(C#N)c1 ZINC000062238405 1115904989 /nfs/dbraw/zinc/90/49/89/1115904989.db2.gz IMGFOZWEDNBURF-CHWSQXEVSA-N 0 1 361.367 4.255 20 30 FIEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000593968199 1115940600 /nfs/dbraw/zinc/94/06/00/1115940600.db2.gz JNDBHWVPISQOJB-VLIAUNLRSA-N 0 1 374.444 4.103 20 30 FIEDMN C=CCN(Cc1cccc(C#N)c1)Cc1ccc(OC(F)F)c(OC)c1 ZINC000063388197 1116058862 /nfs/dbraw/zinc/05/88/62/1116058862.db2.gz FBKBLAPHIYDUAD-UHFFFAOYSA-N 0 1 358.388 4.356 20 30 FIEDMN COc1ccc(CNC2(c3cccc(Br)c3)CC2)cc1C#N ZINC000174422510 1116133687 /nfs/dbraw/zinc/13/36/87/1116133687.db2.gz JRIANOFMHABOML-UHFFFAOYSA-N 0 1 357.251 4.108 20 30 FIEDMN CC(C)CN1Cc2cccc(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)c2C1 ZINC000594326458 1116138214 /nfs/dbraw/zinc/13/82/14/1116138214.db2.gz YFOCUBJWIMGBQK-KRWDZBQOSA-N 0 1 361.489 4.347 20 30 FIEDMN C=C[C@H](CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)c1ccccc1 ZINC000534655811 1116223137 /nfs/dbraw/zinc/22/31/37/1116223137.db2.gz YNNYAKYSTZTRSW-OXQOHEQNSA-N 0 1 356.897 4.419 20 30 FIEDMN COc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)ccc1OC(F)F ZINC000539602782 1116351012 /nfs/dbraw/zinc/35/10/12/1116351012.db2.gz QQDYGLFXZUJCEC-LLVKDONJSA-N 0 1 350.340 4.158 20 30 FIEDMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000539604602 1116351288 /nfs/dbraw/zinc/35/12/88/1116351288.db2.gz ZJNVCYRKEPDDJP-HNNXBMFYSA-N 0 1 362.452 4.410 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN2CCC(Cc3cccnc3)CC2)cc1 ZINC000540044224 1117838884 /nfs/dbraw/zinc/83/88/84/1117838884.db2.gz QEHZUVWQJMXOBK-UHFFFAOYSA-N 0 1 358.407 4.407 20 30 FIEDMN N#CC(C(=O)c1cc(Cl)cc2c1OCC2)c1nc2ccccc2s1 ZINC000463065001 1117949135 /nfs/dbraw/zinc/94/91/35/1117949135.db2.gz SJYHZRPIGAUGFN-ZDUSSCGKSA-N 0 1 354.818 4.375 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540323925 1117991919 /nfs/dbraw/zinc/99/19/19/1117991919.db2.gz NVRFXSFYSYTJHJ-QGZVFWFLSA-N 0 1 373.456 4.392 20 30 FIEDMN CCC[C@@H](NCC(=O)N(CC)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000540360705 1118014447 /nfs/dbraw/zinc/01/44/47/1118014447.db2.gz WKCVQYHXBAUXTK-MRXNPFEDSA-N 0 1 356.297 4.186 20 30 FIEDMN C[C@@H]1CSc2ccc(Br)cc2[C@H]1NCc1ccc(C#N)o1 ZINC000540601645 1118143101 /nfs/dbraw/zinc/14/31/01/1118143101.db2.gz NWQVZWLAXLHDKG-HWPZZCPQSA-N 0 1 363.280 4.486 20 30 FIEDMN Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c(OC[C@@H]2CCCO2)c1 ZINC000540708298 1118196188 /nfs/dbraw/zinc/19/61/88/1118196188.db2.gz RQEKHJXUUTYRBD-JXFKEZNVSA-N 0 1 368.452 4.414 20 30 FIEDMN CC(C)[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1F ZINC000541061069 1118365522 /nfs/dbraw/zinc/36/55/22/1118365522.db2.gz VAKHPCXNMKGNOJ-SOVGHPHASA-N 0 1 367.896 4.209 20 30 FIEDMN Cc1cc(NC(=O)[C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)on1 ZINC000541073978 1118370293 /nfs/dbraw/zinc/37/02/93/1118370293.db2.gz IZCZQGDNVRVECI-CVEARBPZSA-N 0 1 374.444 4.200 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c2ccccc2n1 ZINC000464420950 1118558946 /nfs/dbraw/zinc/55/89/46/1118558946.db2.gz KHJAGPNFLDYCCU-OAHLLOKOSA-N 0 1 355.319 4.447 20 30 FIEDMN N#CC(C(=O)c1ccc(C(F)(F)F)cn1)c1cc(C(F)(F)F)ccn1 ZINC000464473715 1118574703 /nfs/dbraw/zinc/57/47/03/1118574703.db2.gz HOYGWOPAKNNKAK-JTQLQIEISA-N 0 1 359.229 4.004 20 30 FIEDMN N#C[C@H](C(=O)c1ccc(C(F)(F)F)cn1)c1cc(C(F)(F)F)ccn1 ZINC000464473715 1118574705 /nfs/dbraw/zinc/57/47/05/1118574705.db2.gz HOYGWOPAKNNKAK-JTQLQIEISA-N 0 1 359.229 4.004 20 30 FIEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCC#Cc1ccccc1Cl ZINC000541602217 1118575754 /nfs/dbraw/zinc/57/57/54/1118575754.db2.gz ITULUIWYPGLHEG-GFCCVEGCSA-N 0 1 369.818 4.418 20 30 FIEDMN C[C@H](NC(C)(C)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000541644869 1118595868 /nfs/dbraw/zinc/59/58/68/1118595868.db2.gz KYWVSQWKOSBOPT-NSHDSACASA-N 0 1 359.520 4.022 20 30 FIEDMN N#Cc1cc(F)ccc1CN(CCCOc1ccccc1)C1CCOCC1 ZINC000464588343 1118617976 /nfs/dbraw/zinc/61/79/76/1118617976.db2.gz BZDSOCMNMHBERM-UHFFFAOYSA-N 0 1 368.452 4.147 20 30 FIEDMN C=CCN(Cc1cc(Br)c(OC(F)F)c(OC)c1)C1CC1 ZINC000541760540 1118633377 /nfs/dbraw/zinc/63/33/77/1118633377.db2.gz LQXJRVMYIHVPSN-UHFFFAOYSA-N 0 1 362.214 4.210 20 30 FIEDMN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)CC(=O)N(CCC#N)CCC#N ZINC000464768096 1118687896 /nfs/dbraw/zinc/68/78/96/1118687896.db2.gz XHCIQMVQJLSCQV-IBGZPJMESA-N 0 1 374.488 4.002 20 30 FIEDMN CN(c1ccccc1)c1ccc(CN2CCC(CC#N)CC2)cc1[N+](=O)[O-] ZINC000541922113 1118703225 /nfs/dbraw/zinc/70/32/25/1118703225.db2.gz NMWLGAQDSHSTLP-UHFFFAOYSA-N 0 1 364.449 4.488 20 30 FIEDMN CCC[C@@]1(C)CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000464846028 1118719684 /nfs/dbraw/zinc/71/96/84/1118719684.db2.gz IJJCIVUAAWDIPU-UTKZUKDTSA-N 0 1 359.489 4.363 20 30 FIEDMN C=CCOc1ccccc1CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542177393 1118837400 /nfs/dbraw/zinc/83/74/00/1118837400.db2.gz URGLJHHGHHVEIJ-INIZCTEOSA-N 0 1 365.399 4.304 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccnn3C(C)C)n2)cc1 ZINC000151656683 1118954062 /nfs/dbraw/zinc/95/40/62/1118954062.db2.gz JCAFPEJFNGFPFL-OAHLLOKOSA-N 0 1 366.446 4.086 20 30 FIEDMN C[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(C#N)c(F)c1 ZINC000271984450 1119068155 /nfs/dbraw/zinc/06/81/55/1119068155.db2.gz ZSWIBZUHOAHHKV-MRXNPFEDSA-N 0 1 352.457 4.179 20 30 FIEDMN Cc1cc(F)cc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000176707056 1119290291 /nfs/dbraw/zinc/29/02/91/1119290291.db2.gz OMXZGYGOCIQFIU-CYBMUJFWSA-N 0 1 364.467 4.187 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(OC[C@H]3CCCO3)c2)n1 ZINC000177777362 1119350957 /nfs/dbraw/zinc/35/09/57/1119350957.db2.gz LTLYHFXUAMDENP-SJORKVTESA-N 0 1 370.474 4.314 20 30 FIEDMN C=CCC(C)(C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493921284 1119514747 /nfs/dbraw/zinc/51/47/47/1119514747.db2.gz WHTFHLAQANVWQW-WMLDXEAASA-N 0 1 352.881 4.190 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN(C)Cc2cccc3[nH]ccc32)c1C ZINC000494081253 1119538601 /nfs/dbraw/zinc/53/86/01/1119538601.db2.gz XYRCRFVPKSVGKT-UHFFFAOYSA-N 0 1 374.488 4.163 20 30 FIEDMN Fc1ccc(-c2noc([C@@H]3CCCN(CC#Cc4ccccc4)C3)n2)cc1 ZINC000192097284 1120017123 /nfs/dbraw/zinc/01/71/23/1120017123.db2.gz XUCJTIAPUIOYMB-LJQANCHMSA-N 0 1 361.420 4.107 20 30 FIEDMN CN(C)[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 ZINC000193728755 1120182018 /nfs/dbraw/zinc/18/20/18/1120182018.db2.gz BEJDLIQKZDPUJN-IBGZPJMESA-N 0 1 368.456 4.051 20 30 FIEDMN O=[N+]([O-])c1ccc(NN=Cc2csc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000761723909 1120272192 /nfs/dbraw/zinc/27/21/92/1120272192.db2.gz IVZFECQTZXYCOD-UHFFFAOYSA-N 0 1 361.166 4.317 20 30 FIEDMN Cc1cc(NN=Cc2cnc(C3OCCO3)s2)nc2ccc(Cl)cc12 ZINC000761778151 1120390636 /nfs/dbraw/zinc/39/06/36/1120390636.db2.gz NXBJTNPCDPOBNB-UHFFFAOYSA-N 0 1 374.853 4.145 20 30 FIEDMN N#Cc1c(F)ccc(CN=Nc2ccc(Cl)cc2[N+](=O)[O-])c1Cl ZINC000761782419 1120397753 /nfs/dbraw/zinc/39/77/53/1120397753.db2.gz NWWAAICRDCOESH-UHFFFAOYSA-N 0 1 353.140 4.358 20 30 FIEDMN Cc1c(C(C)N=Nc2cnn(C)c2)cnn1-c1ccc(Cl)cc1Cl ZINC000761866156 1120559029 /nfs/dbraw/zinc/55/90/29/1120559029.db2.gz HBSMQFOKNMWKRN-UHFFFAOYSA-N 0 1 363.252 4.057 20 30 FIEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000495374501 1120760058 /nfs/dbraw/zinc/76/00/58/1120760058.db2.gz QKHMPFGPZPLLIQ-WDEREUQCSA-N 0 1 368.378 4.485 20 30 FIEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000495374499 1120760304 /nfs/dbraw/zinc/76/03/04/1120760304.db2.gz QKHMPFGPZPLLIQ-MNOVXSKESA-N 0 1 368.378 4.485 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000915100787 1120800814 /nfs/dbraw/zinc/80/08/14/1120800814.db2.gz DZZQJBUOXQYHNS-AWEZNQCLSA-N 0 1 357.335 4.011 20 30 FIEDMN COc1cc(C=CC(=O)c2[nH]c(-c3ccccc3)nc2C)ccc1OCC#N ZINC000915105793 1120814909 /nfs/dbraw/zinc/81/49/09/1120814909.db2.gz FCUUSQHATQRXSE-NTMALXAHSA-N 0 1 373.412 4.192 20 30 FIEDMN CCOC(=O)N[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1O)CC(C)C ZINC000915112900 1120820216 /nfs/dbraw/zinc/82/02/16/1120820216.db2.gz JTAOMEQRYXOHKZ-OPCBQMRQSA-N 0 1 361.269 4.279 20 30 FIEDMN CN1CC[C@H](C/N=C/c2cccc(O)c2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762438390 1120908750 /nfs/dbraw/zinc/90/87/50/1120908750.db2.gz ZCOKXONACUKMTK-JDTVSGNXSA-N 0 1 362.832 4.002 20 30 FIEDMN N#CC(C(=O)[C@@H]1CCCN1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000763041399 1121096798 /nfs/dbraw/zinc/09/67/98/1121096798.db2.gz MUVJQRBVZGRXND-KNQAVFIVSA-N 0 1 355.441 4.076 20 30 FIEDMN COc1ccc(CN=Nc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000763181276 1121237275 /nfs/dbraw/zinc/23/72/75/1121237275.db2.gz XNQUYJLGJKJIEY-UHFFFAOYSA-N 0 1 355.221 4.465 20 30 FIEDMN CCCCCC[C@@H](C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000915887044 1121346758 /nfs/dbraw/zinc/34/67/58/1121346758.db2.gz NARBOTALXPSRAM-LJQANCHMSA-N 0 1 370.541 4.134 20 30 FIEDMN COc1cccc(C=NNc2ccc(C(F)(F)F)cn2)c1OC(F)F ZINC000915917700 1121348206 /nfs/dbraw/zinc/34/82/06/1121348206.db2.gz LIFRJWLGCHSQBA-UHFFFAOYSA-N 0 1 361.270 4.156 20 30 FIEDMN CCOc1ccc(C(C)=NN=c2[nH]c3ccccc3n2C)cc1OCC ZINC000915967298 1121356017 /nfs/dbraw/zinc/35/60/17/1121356017.db2.gz HARRECWMKROFBP-UHFFFAOYSA-N 0 1 352.438 4.207 20 30 FIEDMN Cc1cc(N=NCc2cn(-c3ccccc3)nc2-c2cccs2)nc(C)n1 ZINC000915970617 1121357576 /nfs/dbraw/zinc/35/75/76/1121357576.db2.gz JMMWIPKHPIHZBP-UHFFFAOYSA-N 0 1 374.473 4.454 20 30 FIEDMN Cc1cc(NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nc(C)n1 ZINC000915967652 1121357603 /nfs/dbraw/zinc/35/76/03/1121357603.db2.gz LFERLXPKQVIOFP-UHFFFAOYSA-N 0 1 371.784 4.361 20 30 FIEDMN CC(=[NH+]Nc1ccc(C(=O)[O-])cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000916240720 1121449730 /nfs/dbraw/zinc/44/97/30/1121449730.db2.gz LKSABAQIEKYEHU-UHFFFAOYSA-N 0 1 355.413 4.350 20 30 FIEDMN CCCN(CCC)c1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cc1 ZINC000916303563 1121468139 /nfs/dbraw/zinc/46/81/39/1121468139.db2.gz GXWCLOSSJSFABZ-UHFFFAOYSA-N 0 1 371.432 4.094 20 30 FIEDMN CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000916539668 1121537334 /nfs/dbraw/zinc/53/73/34/1121537334.db2.gz CLVGGGSMLICHKG-UHFFFAOYSA-N 0 1 368.437 4.122 20 30 FIEDMN C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123886552 1121641717 /nfs/dbraw/zinc/64/17/17/1121641717.db2.gz HKPZCXCFPPNPEX-LPHOPBHVSA-N 0 1 364.892 4.357 20 30 FIEDMN Cc1ccoc1C(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000916906046 1121930101 /nfs/dbraw/zinc/93/01/01/1121930101.db2.gz BBCDDTZCDHUGLB-MRXNPFEDSA-N 0 1 360.369 4.342 20 30 FIEDMN Cc1cc(C=Nn2c(=S)[nH]nc2C(F)(F)F)c(C)n1C1CCCCC1 ZINC000917027114 1122011374 /nfs/dbraw/zinc/01/13/74/1122011374.db2.gz WVGPRXGDTSSETB-UHFFFAOYSA-N 0 1 371.432 4.391 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cccc(F)c1 ZINC000066814199 1122099130 /nfs/dbraw/zinc/09/91/30/1122099130.db2.gz WAEBEBUOCZMRNP-GFCCVEGCSA-N 0 1 350.440 4.021 20 30 FIEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[C@H]1c1ccsc1 ZINC000917114606 1122163066 /nfs/dbraw/zinc/16/30/66/1122163066.db2.gz DSWLFBLNHVIKPA-WMZOPIPTSA-N 0 1 374.469 4.122 20 30 FIEDMN CN(C)c1ccc(C=[NH+][N-]c2nc(C(F)(F)F)nc3ccccc32)s1 ZINC000917215136 1122234163 /nfs/dbraw/zinc/23/41/63/1122234163.db2.gz HWXGQIDZWYGGOD-UHFFFAOYSA-N 0 1 365.384 4.222 20 30 FIEDMN CCN(CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594209 1122302990 /nfs/dbraw/zinc/30/29/90/1122302990.db2.gz SEUCWHYXDCRNHN-IRXDYDNUSA-N 0 1 367.468 4.300 20 30 FIEDMN O=[N+]([O-])c1cc(Cl)ccc1N=NCc1cnc(-c2ccccc2)nc1 ZINC000917544760 1122348605 /nfs/dbraw/zinc/34/86/05/1122348605.db2.gz GMIYHWWKDTUBBY-UHFFFAOYSA-N 0 1 353.769 4.151 20 30 FIEDMN C(=NN=c1nc[nH]c2sc3c(c21)CCC3)c1ccc(N2CCCCC2)o1 ZINC000917570188 1122363269 /nfs/dbraw/zinc/36/32/69/1122363269.db2.gz LCGZNGOOONRKQJ-UHFFFAOYSA-N 0 1 367.478 4.209 20 30 FIEDMN Cc1cc(CN=Nc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c(C)[nH]1 ZINC000917572519 1122364605 /nfs/dbraw/zinc/36/46/05/1122364605.db2.gz YPDJQFAEADXCLP-UHFFFAOYSA-N 0 1 367.474 4.219 20 30 FIEDMN N#CC(C(=O)c1cccc(OC(F)F)c1)c1nc(-c2ccncc2)cs1 ZINC000128816976 1122421434 /nfs/dbraw/zinc/42/14/34/1122421434.db2.gz UUAFOKAJPIDCII-CQSZACIVSA-N 0 1 371.368 4.297 20 30 FIEDMN CC[NH+](CC)Cc1cc(C(C)=NNCc2ccccc2Cl)ccc1[O-] ZINC000918153145 1122576024 /nfs/dbraw/zinc/57/60/24/1122576024.db2.gz RNUWCTSQQIIJKK-UHFFFAOYSA-N 0 1 359.901 4.401 20 30 FIEDMN N#Cc1ccc2ncc(CN[C@H]3CCc4c3ccc(Cl)c4Cl)n2c1 ZINC000556582191 1122985943 /nfs/dbraw/zinc/98/59/43/1122985943.db2.gz HQKZIMKFZGTBSR-INIZCTEOSA-N 0 1 357.244 4.290 20 30 FIEDMN C=CCc1cc(OCC)cc(CN2CCO[C@H](c3ccccc3)C2)c1O ZINC000919939707 1123273893 /nfs/dbraw/zinc/27/38/93/1123273893.db2.gz GSFXAJZGFOKQAA-NRFANRHFSA-N 0 1 353.462 4.093 20 30 FIEDMN Cc1ccccc1C1(C(=O)C(C#N)c2nc3ccccc3o2)CCOCC1 ZINC000920115886 1123362883 /nfs/dbraw/zinc/36/28/83/1123362883.db2.gz NZKYVMWSFBZUCS-MRXNPFEDSA-N 0 1 360.413 4.061 20 30 FIEDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000920174969 1123403597 /nfs/dbraw/zinc/40/35/97/1123403597.db2.gz RUHVBSXOUBWTMX-CKQWILCBSA-N 0 1 373.840 4.208 20 30 FIEDMN C=CCc1cc(OCC)cc(CN2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1O ZINC000920305924 1123437758 /nfs/dbraw/zinc/43/77/58/1123437758.db2.gz VGAYGUFIXZKTKN-JTSKRJEESA-N 0 1 367.489 4.481 20 30 FIEDMN Cc1cc(C)c(C=NNc2ccccc2S(=O)(=O)NC(C)(C)C)c(C)c1 ZINC000920377884 1123449414 /nfs/dbraw/zinc/44/94/14/1123449414.db2.gz HLTNLXWCFAGVSV-UHFFFAOYSA-N 0 1 373.522 4.135 20 30 FIEDMN Oc1c(Cl)cc(Cl)cc1/C=N\CCc1ccc2c(c1)OCCO2 ZINC000920942111 1123539824 /nfs/dbraw/zinc/53/98/24/1123539824.db2.gz LMEKYMUOFKTVOY-JMIUGGIZSA-N 0 1 352.217 4.132 20 30 FIEDMN COc1cccc(/C=N\C[C@@H](c2ccccc2Cl)N2CCCC2)c1O ZINC000920945300 1123540441 /nfs/dbraw/zinc/54/04/41/1123540441.db2.gz VJINKTQESHOWIO-FPJJECCMSA-N 0 1 358.869 4.310 20 30 FIEDMN CCS[C@@H]1CC[C@H](N(C)CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000076068586 1123560636 /nfs/dbraw/zinc/56/06/36/1123560636.db2.gz SOPWKFBBLLAIHX-RBUKOAKNSA-N 0 1 373.566 4.156 20 30 FIEDMN C=CC[N@H+](Cc1cccs1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000921209682 1123584492 /nfs/dbraw/zinc/58/44/92/1123584492.db2.gz IEYNYFBTBWSNDV-UHFFFAOYSA-N 0 1 361.850 4.402 20 30 FIEDMN C=CC[N@@H+](Cc1cccs1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000921209682 1123584494 /nfs/dbraw/zinc/58/44/94/1123584494.db2.gz IEYNYFBTBWSNDV-UHFFFAOYSA-N 0 1 361.850 4.402 20 30 FIEDMN Cc1ccc(SCCC(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1C ZINC000064372439 1123721516 /nfs/dbraw/zinc/72/15/16/1123721516.db2.gz MLMOPGLCBHNHRE-UHFFFAOYSA-N 0 1 353.451 4.254 20 30 FIEDMN CSc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000609985307 1123907881 /nfs/dbraw/zinc/90/78/81/1123907881.db2.gz RTCKGBQYNKFTQA-UHFFFAOYSA-N 0 1 372.393 4.100 20 30 FIEDMN Cc1nc(-c2cccc(C(=O)Nc3nc(-c4ccco4)n[nH]3)c2)cs1 ZINC000079988482 1123942308 /nfs/dbraw/zinc/94/23/08/1123942308.db2.gz YVOHCPSHVRASMD-UHFFFAOYSA-N 0 1 351.391 4.133 20 30 FIEDMN C[C@@H](CN(C)Cc1ccnc(C#N)c1)Oc1ccc(Cl)c(Cl)c1 ZINC000615808583 1124124523 /nfs/dbraw/zinc/12/45/23/1124124523.db2.gz KXHWWPLEPKPSGY-LBPRGKRZSA-N 0 1 350.249 4.159 20 30 FIEDMN Cc1ccc(CN(C)Cc2cccc(OCc3cccc(C#N)c3)c2)nc1 ZINC000616152050 1124250637 /nfs/dbraw/zinc/25/06/37/1124250637.db2.gz GZNJUQHHQAZIKZ-UHFFFAOYSA-N 0 1 357.457 4.473 20 30 FIEDMN N#Cc1ccc(CN(Cc2ccccc2)C[C@@H](O)c2cccs2)s1 ZINC000180219088 1124265613 /nfs/dbraw/zinc/26/56/13/1124265613.db2.gz JLFJKWRJICQZJZ-GOSISDBHSA-N 0 1 354.500 4.417 20 30 FIEDMN CC(=O)c1ccc(C#N)cc1NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000302123705 1124285790 /nfs/dbraw/zinc/28/57/90/1124285790.db2.gz VJJWXDZAYSRKKA-KRWDZBQOSA-N 0 1 353.491 4.146 20 30 FIEDMN Cc1oc(NC(=O)CN[C@@H](c2cccc(F)c2)C(C)(C)C)c(C#N)c1C ZINC000181063178 1124524385 /nfs/dbraw/zinc/52/43/85/1124524385.db2.gz UUULGKVWJHYQAA-SFHVURJKSA-N 0 1 357.429 4.223 20 30 FIEDMN C=CCC[C@@H](NCC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)c1ccccc1 ZINC001168657402 1124531769 /nfs/dbraw/zinc/53/17/69/1124531769.db2.gz NZBOGQKMRXGOKG-GOSISDBHSA-N 0 1 368.477 4.288 20 30 FIEDMN CN(CCOCc1ccc(C#N)cc1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000554889539 1124726241 /nfs/dbraw/zinc/72/62/41/1124726241.db2.gz OWWWGMCCWCQANQ-UHFFFAOYSA-N 0 1 366.358 4.365 20 30 FIEDMN N#Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000007056087 1124858556 /nfs/dbraw/zinc/85/85/56/1124858556.db2.gz WYZSSZYCNVECTE-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN C[C@@H](C1CC1)N(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000075636844 1124910377 /nfs/dbraw/zinc/91/03/77/1124910377.db2.gz QWPHVBNAHCHDPY-INIZCTEOSA-N 0 1 358.445 4.409 20 30 FIEDMN COc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000763497807 1125096466 /nfs/dbraw/zinc/09/64/66/1125096466.db2.gz ASENHVYWJFFQTR-XMMPIXPASA-N 0 1 372.468 4.303 20 30 FIEDMN N#Cc1ccc(CNCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000618723945 1125250143 /nfs/dbraw/zinc/25/01/43/1125250143.db2.gz YRSUJFFHPOUTMX-UHFFFAOYSA-N 0 1 374.341 4.396 20 30 FIEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnn(Cc2ccccc2Cl)c1 ZINC000618742190 1125259426 /nfs/dbraw/zinc/25/94/26/1125259426.db2.gz SXFSAWZCKFNJRZ-NRFANRHFSA-N 0 1 362.864 4.234 20 30 FIEDMN CNC([O-])=[NH+][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000543020024 1125426161 /nfs/dbraw/zinc/42/61/61/1125426161.db2.gz CTEQNQGZFIIAID-MRVPVSSYSA-N 0 1 368.199 4.257 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2sc(NC(=O)c3ccco3)cc2C)n1 ZINC000041517424 208285213 /nfs/dbraw/zinc/28/52/13/208285213.db2.gz ZMGISCDDXUIGDT-NSHDSACASA-N 0 1 371.443 4.157 20 30 FIEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481517510 568005531 /nfs/dbraw/zinc/00/55/31/568005531.db2.gz PCFQTOPTXHONGT-IAGOWNOFSA-N 0 1 365.452 4.294 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4nc5c(cc4C#N)CCC5)C3)[nH]c2c1 ZINC000408226683 568053569 /nfs/dbraw/zinc/05/35/69/568053569.db2.gz OVDFUCXRXRFFGL-INIZCTEOSA-N 0 1 357.461 4.011 20 30 FIEDMN N#Cc1ccc(Cl)c(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)c1 ZINC000481607282 568065261 /nfs/dbraw/zinc/06/52/61/568065261.db2.gz AXEFMDLEPUMISQ-UHFFFAOYSA-N 0 1 373.803 4.402 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)C1(C#N)CCCCC1)c1ccccc1Cl ZINC000303023386 568251348 /nfs/dbraw/zinc/25/13/48/568251348.db2.gz PHSNYQCJQKXLSW-GOSISDBHSA-N 0 1 361.917 4.313 20 30 FIEDMN COc1ccc2nc(C3CC3)cc(C(=O)C(C#N)c3nc(C)cs3)c2c1 ZINC000152002650 568279282 /nfs/dbraw/zinc/27/92/82/568279282.db2.gz YWVRLKMQNCSRLA-MRXNPFEDSA-N 0 1 363.442 4.376 20 30 FIEDMN COc1ccc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc(C)cs3)c2c1 ZINC000152002650 568279283 /nfs/dbraw/zinc/27/92/83/568279283.db2.gz YWVRLKMQNCSRLA-MRXNPFEDSA-N 0 1 363.442 4.376 20 30 FIEDMN N#CC(C(=O)C=CC1CCOCC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000112223067 1125529627 /nfs/dbraw/zinc/52/96/27/1125529627.db2.gz ABTUOOLKAPKRGG-MUBLQREKSA-N 0 1 374.412 4.247 20 30 FIEDMN N#C[C@H](C(=O)C=CC1CCOCC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000112223067 1125529635 /nfs/dbraw/zinc/52/96/35/1125529635.db2.gz ABTUOOLKAPKRGG-MUBLQREKSA-N 0 1 374.412 4.247 20 30 FIEDMN N#CCc1cccc(S(=O)(=O)Nc2ccc(F)cc2OC2CCCC2)c1 ZINC000619463541 1125596159 /nfs/dbraw/zinc/59/61/59/1125596159.db2.gz RBEGNTWNAQRWEV-UHFFFAOYSA-N 0 1 374.437 4.014 20 30 FIEDMN N#CCc1ccccc1S(=O)(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000619463514 1125596401 /nfs/dbraw/zinc/59/64/01/1125596401.db2.gz LZRSUKYWKLFYJR-UHFFFAOYSA-N 0 1 374.437 4.014 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000619656654 1125648854 /nfs/dbraw/zinc/64/88/54/1125648854.db2.gz QFOVQGPOEPMSJH-HXUWFJFHSA-N 0 1 373.500 4.413 20 30 FIEDMN Cc1c([C@@H](C)NCc2ccc(F)c(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000182878363 1125659127 /nfs/dbraw/zinc/65/91/27/1125659127.db2.gz MWEVSFZNOIIVSH-CYBMUJFWSA-N 0 1 352.388 4.181 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C)[nH]c3C)n2)cc1 ZINC000619756437 1125682339 /nfs/dbraw/zinc/68/23/39/1125682339.db2.gz IJASEHPFXRIXRA-INIZCTEOSA-N 0 1 351.431 4.254 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cc(C)[nH]c3C)n2)cc1 ZINC000619756437 1125682340 /nfs/dbraw/zinc/68/23/40/1125682340.db2.gz IJASEHPFXRIXRA-INIZCTEOSA-N 0 1 351.431 4.254 20 30 FIEDMN N#Cc1ccc(CNCc2ccccc2OCc2cccnc2)cc1Cl ZINC000619748403 1125690020 /nfs/dbraw/zinc/69/00/20/1125690020.db2.gz DIYQHEKHMOCXOA-UHFFFAOYSA-N 0 1 363.848 4.475 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(CC#N)cc3)[nH]c2c1 ZINC000519935069 1079771800 /nfs/dbraw/zinc/77/18/00/1079771800.db2.gz VCMCLVMSCKLDLR-LJQANCHMSA-N 0 1 359.433 4.306 20 30 FIEDMN CCN(C(=O)c1cc(-c2cccs2)[nH]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000097698084 1080076737 /nfs/dbraw/zinc/07/67/37/1080076737.db2.gz TWSPCMLWTZHEGN-CYBMUJFWSA-N 0 1 350.447 4.233 20 30 FIEDMN C=CCCO[C@@H](C)C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000109251888 1080234397 /nfs/dbraw/zinc/23/43/97/1080234397.db2.gz BRSQLCAFOKXQOA-LBPRGKRZSA-N 0 1 371.387 4.428 20 30 FIEDMN CCOc1ccc(CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)C)cc1 ZINC001167256495 1080915941 /nfs/dbraw/zinc/91/59/41/1080915941.db2.gz YCSYWTAWLWLTNN-UHFFFAOYSA-N 0 1 353.422 4.276 20 30 FIEDMN Cc1sc(NC(=O)CN[C@H](C)c2ccc3ncsc3c2)c(C#N)c1C ZINC000547947506 1081160608 /nfs/dbraw/zinc/16/06/08/1081160608.db2.gz FNWJMASMTQOJSM-LLVKDONJSA-N 0 1 370.503 4.136 20 30 FIEDMN N#Cc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)s1 ZINC000176958823 1081172822 /nfs/dbraw/zinc/17/28/22/1081172822.db2.gz PFPFYBJUOYUVKD-UHFFFAOYSA-N 0 1 371.469 4.157 20 30 FIEDMN COCCN(Cc1ccc(C#N)cc1)Cc1cc(Br)ccc1C ZINC001167312822 1081307694 /nfs/dbraw/zinc/30/76/94/1081307694.db2.gz AATQSCVZJQULPS-UHFFFAOYSA-N 0 1 373.294 4.278 20 30 FIEDMN CCC(CC)CN(CCC#N)C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000609188768 1081365108 /nfs/dbraw/zinc/36/51/08/1081365108.db2.gz XTBBQQGGOZJUSN-UHFFFAOYSA-N 0 1 373.566 4.027 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000579992234 1081378392 /nfs/dbraw/zinc/37/83/92/1081378392.db2.gz ZCTXXVOBDRZHNW-SJORKVTESA-N 0 1 369.534 4.065 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H]2c3ccc(F)cc3O[C@H]2C)ccc1OC ZINC000580003059 1081386463 /nfs/dbraw/zinc/38/64/63/1081386463.db2.gz FANZPYGXOGMYKT-QKKBWIMNSA-N 0 1 357.425 4.401 20 30 FIEDMN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000471497139 1081485299 /nfs/dbraw/zinc/48/52/99/1081485299.db2.gz UUEHANCBZLTKKJ-SFHVURJKSA-N 0 1 357.523 4.139 20 30 FIEDMN C[C@@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cccc(C#N)c1 ZINC000610346109 1081501241 /nfs/dbraw/zinc/50/12/41/1081501241.db2.gz LUFDJQQKGWPVHT-FZKQIMNGSA-N 0 1 373.378 4.033 20 30 FIEDMN C[C@@H](NC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000610346237 1081501303 /nfs/dbraw/zinc/50/13/03/1081501303.db2.gz PUXFRAJSWVGOEH-XHSDSOJGSA-N 0 1 361.445 4.221 20 30 FIEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000610345893 1081502066 /nfs/dbraw/zinc/50/20/66/1081502066.db2.gz BSGRZQMGCZYVNJ-CHWSQXEVSA-N 0 1 361.367 4.255 20 30 FIEDMN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000471584143 1081976780 /nfs/dbraw/zinc/97/67/80/1081976780.db2.gz FMFBVYCWVKTOEV-IBGZPJMESA-N 0 1 357.523 4.139 20 30 FIEDMN CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(F)ccc2-n2cccn2)s1 ZINC000580688255 1082082822 /nfs/dbraw/zinc/08/28/22/1082082822.db2.gz UORSFDDWCYNNRK-AWEZNQCLSA-N 0 1 368.437 4.255 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cc(F)ccc2-n2cccn2)s1 ZINC000580688255 1082082831 /nfs/dbraw/zinc/08/28/31/1082082831.db2.gz UORSFDDWCYNNRK-AWEZNQCLSA-N 0 1 368.437 4.255 20 30 FIEDMN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1c(F)cccc1Cl)C2 ZINC001203400262 1082135065 /nfs/dbraw/zinc/13/50/65/1082135065.db2.gz VWWJHICIAWEPKX-RBUKOAKNSA-N 0 1 353.865 4.053 20 30 FIEDMN COCCOc1cc(N=Cc2cc(Cl)cc(Cl)c2O)ccc1OC ZINC000255281631 1082402236 /nfs/dbraw/zinc/40/22/36/1082402236.db2.gz UZPAGYXGJADILK-UHFFFAOYSA-N 0 1 370.232 4.483 20 30 FIEDMN CS(=O)(=O)CCc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000255299117 1082551877 /nfs/dbraw/zinc/55/18/77/1082551877.db2.gz ZNDXUMRUNMJKQH-UHFFFAOYSA-N 0 1 372.273 4.037 20 30 FIEDMN N#CC(C(=O)C=Cc1cncc(F)c1)c1nc2cc(Cl)ccc2s1 ZINC000255368102 1082829774 /nfs/dbraw/zinc/82/97/74/1082829774.db2.gz HJKFGIIHHSLJEI-GIDQFRGBSA-N 0 1 357.797 4.373 20 30 FIEDMN C=C[C@H](CC)CC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001266812590 1082858853 /nfs/dbraw/zinc/85/88/53/1082858853.db2.gz QHSZETJRRSJNTK-ZXYWRSMDSA-N 0 1 352.881 4.190 20 30 FIEDMN CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)c1cc2ccccc2o1 ZINC000065021177 1083029451 /nfs/dbraw/zinc/02/94/51/1083029451.db2.gz NHHFMCQMCZUELL-IERDGZPVSA-N 0 1 355.482 4.260 20 30 FIEDMN CCN(Cc1ccnn1-c1ccccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000430739765 1083142377 /nfs/dbraw/zinc/14/23/77/1083142377.db2.gz IJIGZAJKAVLYRX-KRWDZBQOSA-N 0 1 360.461 4.336 20 30 FIEDMN N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCc4[nH]ncc43)cc2)c1 ZINC000135440970 1083310522 /nfs/dbraw/zinc/31/05/22/1083310522.db2.gz NEMKIZMGEWRDSH-GOSISDBHSA-N 0 1 358.401 4.132 20 30 FIEDMN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377238 1083360812 /nfs/dbraw/zinc/36/08/12/1083360812.db2.gz ZEALBZGYGFRRIB-LYRGGWFBSA-N 0 1 365.458 4.105 20 30 FIEDMN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377238 1083360818 /nfs/dbraw/zinc/36/08/18/1083360818.db2.gz ZEALBZGYGFRRIB-LYRGGWFBSA-N 0 1 365.458 4.105 20 30 FIEDMN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377237 1083361180 /nfs/dbraw/zinc/36/11/80/1083361180.db2.gz ZEALBZGYGFRRIB-HFBAOOFYSA-N 0 1 365.458 4.105 20 30 FIEDMN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377237 1083361185 /nfs/dbraw/zinc/36/11/85/1083361185.db2.gz ZEALBZGYGFRRIB-HFBAOOFYSA-N 0 1 365.458 4.105 20 30 FIEDMN CC(C)NC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c1 ZINC000647377187 1083365462 /nfs/dbraw/zinc/36/54/62/1083365462.db2.gz WBAUCOUWZDZLQD-OAHLLOKOSA-N 0 1 368.462 4.040 20 30 FIEDMN CC(C)NC(=O)Nc1cccc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377187 1083365467 /nfs/dbraw/zinc/36/54/67/1083365467.db2.gz WBAUCOUWZDZLQD-OAHLLOKOSA-N 0 1 368.462 4.040 20 30 FIEDMN N#C[C@H](C(=O)c1ccc(OC2CCCC2)nc1)c1nc(C2CC2)cs1 ZINC000647379060 1083369703 /nfs/dbraw/zinc/36/97/03/1083369703.db2.gz ZGWIPBSOBUGKAZ-OAHLLOKOSA-N 0 1 353.447 4.227 20 30 FIEDMN N#CC(C(=O)c1ccc(OC2CCCC2)nc1)c1nc(C2CC2)cs1 ZINC000647379060 1083369720 /nfs/dbraw/zinc/36/97/20/1083369720.db2.gz ZGWIPBSOBUGKAZ-OAHLLOKOSA-N 0 1 353.447 4.227 20 30 FIEDMN COc1cc(OC2CC2)ccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647379223 1083371027 /nfs/dbraw/zinc/37/10/27/1083371027.db2.gz RFCHGQUKDCOMDE-HNNXBMFYSA-N 0 1 354.431 4.060 20 30 FIEDMN Cc1nn(-c2ccccc2)cc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000102595161 1083439817 /nfs/dbraw/zinc/43/98/17/1083439817.db2.gz ZYNKIGQQQKDCIV-OAHLLOKOSA-N 0 1 370.334 4.085 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCC(C)(C)C2)cc1Cl ZINC000179383277 1083440776 /nfs/dbraw/zinc/44/07/76/1083440776.db2.gz ZSWPXTQOPLPUTM-JSGCOSHPSA-N 0 1 362.857 4.212 20 30 FIEDMN N#CC1(F)CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000510939084 1083516270 /nfs/dbraw/zinc/51/62/70/1083516270.db2.gz WAFDPGRTMJGNKR-UHFFFAOYSA-N 0 1 367.424 4.135 20 30 FIEDMN CC(C)[C@@H]1c2ccccc2CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610788103 1083517291 /nfs/dbraw/zinc/51/72/91/1083517291.db2.gz UHNZDPRHWYNRGQ-OAQYLSRUSA-N 0 1 358.445 4.364 20 30 FIEDMN Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188425292 1083546188 /nfs/dbraw/zinc/54/61/88/1083546188.db2.gz BYFMWWBLBBCSTC-UHFFFAOYSA-N 0 1 358.397 4.404 20 30 FIEDMN Cc1cc(C(C#N)C(=O)Cc2coc3c2ccc(Cl)c3C)nc(C)n1 ZINC000892475862 1083594161 /nfs/dbraw/zinc/59/41/61/1083594161.db2.gz OKAJYWUSEFMTHD-OAHLLOKOSA-N 0 1 353.809 4.220 20 30 FIEDMN C=CCOc1c(Cl)cc(CN2CCC([C@@H]3CCOC3)CC2)cc1OC ZINC000628237397 1083599304 /nfs/dbraw/zinc/59/93/04/1083599304.db2.gz MALZQRPSSFFDJA-QGZVFWFLSA-N 0 1 365.901 4.162 20 30 FIEDMN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C#N)ccc1O ZINC000179741552 1083620922 /nfs/dbraw/zinc/62/09/22/1083620922.db2.gz QUGHHOKRYFWUCK-UHFFFAOYSA-N 0 1 353.765 4.133 20 30 FIEDMN C=C(C)COc1cc(CN(C)Cc2ccc3c(c2)OCCO3)ccc1OC ZINC000535781596 1083653675 /nfs/dbraw/zinc/65/36/75/1083653675.db2.gz SMNHDFPHGQSAHQ-UHFFFAOYSA-N 0 1 369.461 4.053 20 30 FIEDMN Cc1noc(C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)c2ccccc2)n1 ZINC000277059187 1083728206 /nfs/dbraw/zinc/72/82/06/1083728206.db2.gz HXOBVOBUZFMRNX-DJJJIMSYSA-N 0 1 350.397 4.023 20 30 FIEDMN CC(C)(CC(=O)C(C#N)C(=O)Nc1ccccc1Cl)CC(F)(F)F ZINC000892489646 1083746803 /nfs/dbraw/zinc/74/68/03/1083746803.db2.gz LRSIYUYBWKZWKX-SNVBAGLBSA-N 0 1 360.763 4.356 20 30 FIEDMN C[C@@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000136687063 1083878129 /nfs/dbraw/zinc/87/81/29/1083878129.db2.gz SGGTZFQGAFUCOE-PXAZEXFGSA-N 0 1 371.366 4.135 20 30 FIEDMN CCN(CCc1cccs1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472440680 1083906072 /nfs/dbraw/zinc/90/60/72/1083906072.db2.gz ROZIMFOITLGCPM-UHFFFAOYSA-N 0 1 365.502 4.364 20 30 FIEDMN C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCC(C)(C)C#N ZINC000612587978 1083930016 /nfs/dbraw/zinc/93/00/16/1083930016.db2.gz JWXGUYGCFVBGSQ-JTQLQIEISA-N 0 1 361.795 4.215 20 30 FIEDMN COc1ccc(Cl)cc1C[C@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000610993237 1083946737 /nfs/dbraw/zinc/94/67/37/1083946737.db2.gz JTELEESENAPALT-OAHLLOKOSA-N 0 1 355.869 4.070 20 30 FIEDMN N#Cc1csc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1 ZINC000084259829 1084018030 /nfs/dbraw/zinc/01/80/30/1084018030.db2.gz KWCTUYURCJIJMU-LJQANCHMSA-N 0 1 358.426 4.015 20 30 FIEDMN C[C@]1(C#N)CCCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C1 ZINC000612758442 1084047801 /nfs/dbraw/zinc/04/78/01/1084047801.db2.gz PJEFRQMLPAQUKY-LJQANCHMSA-N 0 1 350.447 4.057 20 30 FIEDMN COc1ccc(O)c(C(C)N=Nc2ccc(Br)cc2F)c1 ZINC000728433145 1084081523 /nfs/dbraw/zinc/08/15/23/1084081523.db2.gz UHARYTGCYXFDFK-UHFFFAOYSA-N 0 1 353.191 4.139 20 30 FIEDMN CC(N=Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000728432968 1084084728 /nfs/dbraw/zinc/08/47/28/1084084728.db2.gz LJRRHDPMVDVJDU-UHFFFAOYSA-N 0 1 352.163 4.333 20 30 FIEDMN COc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1Br ZINC000728438240 1084143187 /nfs/dbraw/zinc/14/31/87/1084143187.db2.gz CIUNBFZKCQPHQN-DJWKRKHSSA-N 0 1 351.171 4.199 20 30 FIEDMN Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)c1ccc(O)c(F)c1 ZINC000728438464 1084172288 /nfs/dbraw/zinc/17/22/88/1084172288.db2.gz FTKLEWSMRYAELA-NTMALXAHSA-N 0 1 354.356 4.369 20 30 FIEDMN Cc1nn(Cc2ccccc2)c(C)c1/C=C/C(=O)c1ccc(O)c(F)c1 ZINC000728438604 1084172363 /nfs/dbraw/zinc/17/23/63/1084172363.db2.gz IKIJFFLZAHDLLF-PKNBQFBNSA-N 0 1 350.393 4.289 20 30 FIEDMN N#Cc1cccc(COc2cccc(CN[C@H](CO)c3ccsc3)c2)c1 ZINC000472078776 1084252412 /nfs/dbraw/zinc/25/24/12/1084252412.db2.gz PVPISYAZIFQIBH-OAQYLSRUSA-N 0 1 364.470 4.022 20 30 FIEDMN CC(NCc1cnc2ccc(C#N)cn12)(c1ccccc1)c1ccccc1 ZINC000551556547 1084677865 /nfs/dbraw/zinc/67/78/65/1084677865.db2.gz NRUGCHBSJZTCSL-UHFFFAOYSA-N 0 1 352.441 4.259 20 30 FIEDMN Cc1ccc([C@@H](NCC(C)(C)CC#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414160419 1084722570 /nfs/dbraw/zinc/72/25/70/1084722570.db2.gz CXTHZMGRBFAHDM-HXUWFJFHSA-N 0 1 370.518 4.017 20 30 FIEDMN CCC(CC)CN(CCC#N)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC001167558154 1084797131 /nfs/dbraw/zinc/79/71/31/1084797131.db2.gz HUXHMFBMXCVVRW-NRFANRHFSA-N 0 1 355.526 4.222 20 30 FIEDMN C=CCOc1c(Cl)cc(CN2CCC(CCOC)CC2)cc1OC ZINC000628384856 1084804941 /nfs/dbraw/zinc/80/49/41/1084804941.db2.gz PTQWYTFGDSMZFS-UHFFFAOYSA-N 0 1 353.890 4.162 20 30 FIEDMN C=CC[C@@H]1CCCN(Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000661376401 1085538999 /nfs/dbraw/zinc/53/89/99/1085538999.db2.gz BPFQZMNMAJNKJG-CYBMUJFWSA-N 0 1 362.271 4.287 20 30 FIEDMN C=CC[C@H]1CCCN(Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)C1 ZINC000661382770 1085541571 /nfs/dbraw/zinc/54/15/71/1085541571.db2.gz XLFKSIJUZYBCLK-KRWDZBQOSA-N 0 1 369.534 4.421 20 30 FIEDMN Cc1ccn(-c2ccc(C(=O)C(C#N)c3nc4ccccc4s3)cc2)n1 ZINC000048824274 1085707116 /nfs/dbraw/zinc/70/71/16/1085707116.db2.gz GKURMZXCJUYODY-MRXNPFEDSA-N 0 1 358.426 4.281 20 30 FIEDMN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)Cc1ccc(Cl)cc1 ZINC000091439121 1085734361 /nfs/dbraw/zinc/73/43/61/1085734361.db2.gz GYQHTNUVOXWXHH-KBXCAEBGSA-N 0 1 360.885 4.066 20 30 FIEDMN C=CCOc1ccccc1CN[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000161521996 1085887632 /nfs/dbraw/zinc/88/76/32/1085887632.db2.gz TXOXAKBNIRTPLP-OAHLLOKOSA-N 0 1 354.450 4.069 20 30 FIEDMN CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000511220784 1085972278 /nfs/dbraw/zinc/97/22/78/1085972278.db2.gz JPUNEYOQXBBFDP-UHFFFAOYSA-N 0 1 366.442 4.299 20 30 FIEDMN CCC(=O)Nc1cccc(CNCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000583173816 1086349769 /nfs/dbraw/zinc/34/97/69/1086349769.db2.gz MJEMDLKXUVYPPA-UHFFFAOYSA-N 0 1 361.367 4.215 20 30 FIEDMN N#CC(C(=O)c1cnn(CCF)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000685142975 1086722345 /nfs/dbraw/zinc/72/23/45/1086722345.db2.gz BROFRLMBJZJNBP-AWEZNQCLSA-N 0 1 374.828 4.120 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)C=Cc3cccnc3)n2)cc1 ZINC000255570853 1086795357 /nfs/dbraw/zinc/79/53/57/1086795357.db2.gz ANPLKBGGKBPAPK-INDRUJQFSA-N 0 1 361.426 4.103 20 30 FIEDMN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000583587861 1086829372 /nfs/dbraw/zinc/82/93/72/1086829372.db2.gz FRQQXNPOGFBNGO-INIZCTEOSA-N 0 1 372.428 4.035 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000246757020 1086953228 /nfs/dbraw/zinc/95/32/28/1086953228.db2.gz QNYKDLIKQPZGBL-BRWVUGGUSA-N 0 1 359.539 4.245 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(C)s1 ZINC000480262963 1087311054 /nfs/dbraw/zinc/31/10/54/1087311054.db2.gz KCMIKJRKWZTHOQ-UHFFFAOYSA-N 0 1 360.382 4.056 20 30 FIEDMN C[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(C#N)cc1 ZINC000093350845 1087460564 /nfs/dbraw/zinc/46/05/64/1087460564.db2.gz ZHQWIMDPENLEDW-JTQLQIEISA-N 0 1 355.348 4.255 20 30 FIEDMN COc1ccc(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccccc2)c(O)c1 ZINC000588610458 1087464891 /nfs/dbraw/zinc/46/48/91/1087464891.db2.gz LZEXOYGRTLIQIB-FLIBITNWSA-N 0 1 373.412 4.074 20 30 FIEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000685442283 1087568777 /nfs/dbraw/zinc/56/87/77/1087568777.db2.gz SOLHDZMZSZMFEF-UHFFFAOYSA-N 0 1 365.477 4.059 20 30 FIEDMN COc1cccc(OC)c1CN=Nc1ccc(Br)cc1F ZINC000755698094 1087685645 /nfs/dbraw/zinc/68/56/45/1087685645.db2.gz IGBRJMICUGUKDW-UHFFFAOYSA-N 0 1 353.191 4.051 20 30 FIEDMN Cc1cc(C)n(-c2ccc(C(=O)C(C#N)c3nc(C4CC4)cs3)cc2)n1 ZINC000647371655 1087783404 /nfs/dbraw/zinc/78/34/04/1087783404.db2.gz VSGVICUHYNPLLK-KRWDZBQOSA-N 0 1 362.458 4.313 20 30 FIEDMN Cc1cccc2nc(C3CCN(Cc4cnc5ccc(C#N)cn45)CC3)oc21 ZINC000188884437 1088326716 /nfs/dbraw/zinc/32/67/16/1088326716.db2.gz NJOIPJWTSMNEBP-UHFFFAOYSA-N 0 1 371.444 4.035 20 30 FIEDMN N#Cc1cc(Br)ccc1CN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000376557892 1088424420 /nfs/dbraw/zinc/42/44/20/1088424420.db2.gz LPRQISBDOUODLV-APWZRJJASA-N 0 1 371.278 4.188 20 30 FIEDMN COc1ccc(NC(=O)c2ccc(C#N)c(O)c2)c(OCc2ccccc2)c1 ZINC000189269690 1088460079 /nfs/dbraw/zinc/46/00/79/1088460079.db2.gz FMTDVUGBPVHVNQ-UHFFFAOYSA-N 0 1 374.396 4.104 20 30 FIEDMN C=CCOc1cccc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000513868783 1088493997 /nfs/dbraw/zinc/49/39/97/1088493997.db2.gz AUTJXTNIQQKTJS-IBGZPJMESA-N 0 1 369.465 4.111 20 30 FIEDMN CCc1cc(N=NC(C)c2ccc(N)cc2Cl)nc(-c2ccccn2)n1 ZINC000782903763 1088572689 /nfs/dbraw/zinc/57/26/89/1088572689.db2.gz HKMCKYAXUNSJQM-UHFFFAOYSA-N 0 1 366.856 4.173 20 30 FIEDMN COc1cc(C#N)ccc1CN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189817666 1088645089 /nfs/dbraw/zinc/64/50/89/1088645089.db2.gz FRAHXHIYAPANHW-UHFFFAOYSA-N 0 1 361.445 4.396 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)Nc3ccc(OC(F)(F)F)cc3)[nH]c21 ZINC000505437839 1088799873 /nfs/dbraw/zinc/79/98/73/1088799873.db2.gz IHZPFKGDNMAMKY-ZDUSSCGKSA-N 0 1 374.322 4.016 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Nc3ncc(-c4ccccc4)s3)[nH]c21 ZINC000505444124 1088853823 /nfs/dbraw/zinc/85/38/23/1088853823.db2.gz OYEAPTYSCDXNLW-CQSZACIVSA-N 0 1 373.441 4.241 20 30 FIEDMN CN(Cc1cccc2ccccc21)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434653926 1088917050 /nfs/dbraw/zinc/91/70/50/1088917050.db2.gz CKSYFAHWKJJPAF-IBGZPJMESA-N 0 1 361.470 4.010 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccccn2)s1)c1ccc(C(F)(F)F)cn1 ZINC000136156591 1089087523 /nfs/dbraw/zinc/08/75/23/1089087523.db2.gz ICZBBNDUDBMGDY-NSHDSACASA-N 0 1 374.347 4.109 20 30 FIEDMN C=CCCCCNC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472772317 1089410230 /nfs/dbraw/zinc/41/02/30/1089410230.db2.gz UOAUXKGZLMWNEY-QAPCUYQASA-N 0 1 367.896 4.127 20 30 FIEDMN CC(=Cc1ccc(-c2ccccc2F)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435334812 1089540440 /nfs/dbraw/zinc/54/04/40/1089540440.db2.gz CPPHTALUFAHDKT-LUAWRHEFSA-N 0 1 351.406 4.378 20 30 FIEDMN CC[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000435414586 1089618241 /nfs/dbraw/zinc/61/82/41/1089618241.db2.gz DPRXVRYVJRLRPY-QUCCMNQESA-N 0 1 365.477 4.365 20 30 FIEDMN COc1ccccc1[C@H]1CC[C@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000515018016 1089722470 /nfs/dbraw/zinc/72/24/70/1089722470.db2.gz FFZAYUHQOJHVOO-OXJNMPFZSA-N 0 1 360.461 4.188 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccc(OC3CCCCC3)nc2)cc1 ZINC000728711993 1089808766 /nfs/dbraw/zinc/80/87/66/1089808766.db2.gz QWEVWFPGPVJRQQ-KRWDZBQOSA-N 0 1 365.477 4.374 20 30 FIEDMN CCOc1cc2c(cc1CN[C@@H](C)c1ccc(OCC#N)cc1)O[C@H](C)C2 ZINC000182010476 1090321801 /nfs/dbraw/zinc/32/18/01/1090321801.db2.gz UFNSHQRIHPMFRB-CVEARBPZSA-N 0 1 366.461 4.162 20 30 FIEDMN N#Cc1ccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)c(Br)c1 ZINC000378480859 1090383088 /nfs/dbraw/zinc/38/30/88/1090383088.db2.gz HGOKHMBAZRWNLZ-PKOBYXMFSA-N 0 1 371.278 4.188 20 30 FIEDMN N#CC(C(=O)c1ccc(OC(F)(F)Cl)cc1)c1nc2ccccc2o1 ZINC000193820296 1091322901 /nfs/dbraw/zinc/32/29/01/1091322901.db2.gz KRRCREJAKXVWIH-GFCCVEGCSA-N 0 1 362.719 4.486 20 30 FIEDMN N#C[C@H](C(=O)c1ccc(OC(F)(F)Cl)cc1)c1nc2ccccc2o1 ZINC000193820296 1091322908 /nfs/dbraw/zinc/32/29/08/1091322908.db2.gz KRRCREJAKXVWIH-GFCCVEGCSA-N 0 1 362.719 4.486 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000066856373 1091361480 /nfs/dbraw/zinc/36/14/80/1091361480.db2.gz NWJLHGCJZMRDEG-ZDUSSCGKSA-N 0 1 363.442 4.175 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000066856374 1091361625 /nfs/dbraw/zinc/36/16/25/1091361625.db2.gz NWJLHGCJZMRDEG-CYBMUJFWSA-N 0 1 363.442 4.175 20 30 FIEDMN Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000124274658 1091748744 /nfs/dbraw/zinc/74/87/44/1091748744.db2.gz AKNWCEFYBFLSKN-UTKZUKDTSA-N 0 1 350.462 4.275 20 30 FIEDMN C#CCOc1ccccc1CN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000319907137 1091807142 /nfs/dbraw/zinc/80/71/42/1091807142.db2.gz ZTMDDGJGWINOTI-CQSZACIVSA-N 0 1 374.278 4.321 20 30 FIEDMN C[C@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000624045492 1091956876 /nfs/dbraw/zinc/95/68/76/1091956876.db2.gz JNZRVOXGYURTER-TVQRCGJNSA-N 0 1 369.284 4.495 20 30 FIEDMN C#CCCOc1ccc(CN[C@@H](C)c2ccc(Br)cn2)cc1 ZINC000279864534 1092074646 /nfs/dbraw/zinc/07/46/46/1092074646.db2.gz SUJATABHNHULKE-AWEZNQCLSA-N 0 1 359.267 4.097 20 30 FIEDMN CCc1c(C)nn(-c2cccc(C(=O)C(C#N)c3nc(C)cs3)c2)c1C ZINC000500467512 1092105474 /nfs/dbraw/zinc/10/54/74/1092105474.db2.gz GAHGZXBDUZQNQH-GOSISDBHSA-N 0 1 364.474 4.307 20 30 FIEDMN CCc1c(C)nn(-c2cccc(C(=O)[C@@H](C#N)c3nc(C)cs3)c2)c1C ZINC000500467512 1092105481 /nfs/dbraw/zinc/10/54/81/1092105481.db2.gz GAHGZXBDUZQNQH-GOSISDBHSA-N 0 1 364.474 4.307 20 30 FIEDMN Cc1ccc(C)c(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000500575083 1092246881 /nfs/dbraw/zinc/24/68/81/1092246881.db2.gz GJTJAXIAJILNCL-UHFFFAOYSA-N 0 1 356.473 4.046 20 30 FIEDMN COc1ccc2occ(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)c2c1 ZINC000442031563 1092393412 /nfs/dbraw/zinc/39/34/12/1092393412.db2.gz NALWAFHBCWJNTJ-CYBMUJFWSA-N 0 1 360.291 4.345 20 30 FIEDMN COc1ccc2occ(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2c1 ZINC000442031563 1092393424 /nfs/dbraw/zinc/39/34/24/1092393424.db2.gz NALWAFHBCWJNTJ-CYBMUJFWSA-N 0 1 360.291 4.345 20 30 FIEDMN COc1ccc(CN[C@H](C)c2ccccc2OC)cc1OCCCC#N ZINC000147122181 1092397505 /nfs/dbraw/zinc/39/75/05/1092397505.db2.gz RDQMYLPUVDBTPA-MRXNPFEDSA-N 0 1 354.450 4.237 20 30 FIEDMN CC(C)CN(CC(=O)NCCC1=CCCCC1)Cc1ccc(C#N)cc1 ZINC000521195722 1092573635 /nfs/dbraw/zinc/57/36/35/1092573635.db2.gz QLRNSEIPJOCRMP-UHFFFAOYSA-N 0 1 353.510 4.023 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cnn(C)c3C3CC3)n2)cc1 ZINC000147164514 1092730611 /nfs/dbraw/zinc/73/06/11/1092730611.db2.gz DXNFRNINLDKBCC-HNNXBMFYSA-N 0 1 362.458 4.220 20 30 FIEDMN COc1ccc(CN(Cc2cc(C#N)cs2)[C@@H](C)C2CC2)c(OC)c1 ZINC000549822384 1092837876 /nfs/dbraw/zinc/83/78/76/1092837876.db2.gz QFEZCGBSUUFGNP-AWEZNQCLSA-N 0 1 356.491 4.438 20 30 FIEDMN C=CCC[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000187449201 1092893767 /nfs/dbraw/zinc/89/37/67/1092893767.db2.gz NLLOQNZGEDJTMG-RBUKOAKNSA-N 0 1 364.493 4.138 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)cc1O ZINC000443068246 1092927048 /nfs/dbraw/zinc/92/70/48/1092927048.db2.gz VVBGYZNSJDTGRE-UHFFFAOYSA-N 0 1 369.380 4.248 20 30 FIEDMN COc1ccc(CN[C@H]2COc3c2ccc(C)c3C)cc1OCCCC#N ZINC000521828739 1092931432 /nfs/dbraw/zinc/93/14/32/1092931432.db2.gz WRWJWWZBAZJIJD-IBGZPJMESA-N 0 1 366.461 4.218 20 30 FIEDMN N#Cc1ccc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)cc1O ZINC000443289136 1093036204 /nfs/dbraw/zinc/03/62/04/1093036204.db2.gz COMXDNPDZYQKNR-UHFFFAOYSA-N 0 1 358.372 4.273 20 30 FIEDMN N#CCCN(C(=O)CN1CCC[C@]2(CC=CCC2)C1)c1cccc(Cl)c1 ZINC000512717534 1093194080 /nfs/dbraw/zinc/19/40/80/1093194080.db2.gz ZHXUWTRZYJERQX-OAQYLSRUSA-N 0 1 371.912 4.409 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccccc2)nc1)c1nc2ccccc2s1 ZINC000522231821 1093224744 /nfs/dbraw/zinc/22/47/44/1093224744.db2.gz HOVNDLPYNDYGSP-OAHLLOKOSA-N 0 1 356.410 4.243 20 30 FIEDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512800485 1093365224 /nfs/dbraw/zinc/36/52/24/1093365224.db2.gz CLXQBDDBKRNXQU-AWEZNQCLSA-N 0 1 369.396 4.210 20 30 FIEDMN CCOc1ccccc1CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512815458 1093387422 /nfs/dbraw/zinc/38/74/22/1093387422.db2.gz BWLGFBIDKLGXKF-UHFFFAOYSA-N 0 1 354.425 4.139 20 30 FIEDMN C#CCN1CCC(C(=O)N([C@H](C)c2ccc3ccccc3c2)C2CC2)CC1 ZINC000067233904 1093770515 /nfs/dbraw/zinc/77/05/15/1093770515.db2.gz QWXDYOUHWASIBI-GOSISDBHSA-N 0 1 360.501 4.237 20 30 FIEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000474441947 1093787766 /nfs/dbraw/zinc/78/77/66/1093787766.db2.gz SANKFTWIJZSROW-LBPRGKRZSA-N 0 1 354.391 4.146 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000474441947 1093787770 /nfs/dbraw/zinc/78/77/70/1093787770.db2.gz SANKFTWIJZSROW-LBPRGKRZSA-N 0 1 354.391 4.146 20 30 FIEDMN N#Cc1ccccc1O[C@H]1CCCN(Cc2coc3ccc(F)cc23)C1 ZINC001141854578 1093788636 /nfs/dbraw/zinc/78/86/36/1093788636.db2.gz HOPMRLXVRBWUDD-SFHVURJKSA-N 0 1 350.393 4.487 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C(C)(C)C)C1 ZINC000544190379 1093950372 /nfs/dbraw/zinc/95/03/72/1093950372.db2.gz MLKYLMDTAHONJN-CVEARBPZSA-N 0 1 359.539 4.245 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2ccccc2OCc2csc(C)n2)n1 ZINC000513652583 1094254502 /nfs/dbraw/zinc/25/45/02/1094254502.db2.gz AWHXFHZFFDCNJI-HNNXBMFYSA-N 0 1 369.471 4.286 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2OCc2csc(C)n2)n1 ZINC000513652583 1094254507 /nfs/dbraw/zinc/25/45/07/1094254507.db2.gz AWHXFHZFFDCNJI-HNNXBMFYSA-N 0 1 369.471 4.286 20 30 FIEDMN COc1cc(C#N)ccc1CNC1(c2cccc(Br)c2)CCC1 ZINC000501211055 1094560503 /nfs/dbraw/zinc/56/05/03/1094560503.db2.gz VLIUSGHSNFFTOE-UHFFFAOYSA-N 0 1 371.278 4.498 20 30 FIEDMN COc1cc(C#N)ccc1CNC(C)(C)c1ccc(Br)cc1 ZINC000501210339 1094561119 /nfs/dbraw/zinc/56/11/19/1094561119.db2.gz RUHZFGGLDKEDPS-UHFFFAOYSA-N 0 1 359.267 4.354 20 30 FIEDMN Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)on1 ZINC000329039499 1094720235 /nfs/dbraw/zinc/72/02/35/1094720235.db2.gz ZWTZGZUEIYLYOU-OAHLLOKOSA-N 0 1 370.478 4.220 20 30 FIEDMN Cc1cc([C@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCC3)on1 ZINC000329039499 1094720251 /nfs/dbraw/zinc/72/02/51/1094720251.db2.gz ZWTZGZUEIYLYOU-OAHLLOKOSA-N 0 1 370.478 4.220 20 30 FIEDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@H]1CCCCO1 ZINC000329111595 1094743396 /nfs/dbraw/zinc/74/33/96/1094743396.db2.gz QXRDRJBDAOZIIH-LLVKDONJSA-N 0 1 363.286 4.374 20 30 FIEDMN C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC12CCC2 ZINC000329139093 1094753988 /nfs/dbraw/zinc/75/39/88/1094753988.db2.gz IUMQVBISIODIAX-CQSZACIVSA-N 0 1 373.888 4.021 20 30 FIEDMN N#Cc1ccc(CN[C@H]2CCOc3c(Br)cccc32)cc1F ZINC000501537209 1094764359 /nfs/dbraw/zinc/76/43/59/1094764359.db2.gz RBIUYSOJPRXWTK-INIZCTEOSA-N 0 1 361.214 4.073 20 30 FIEDMN C=CCOc1ccc(CN2CCC(C(=O)NCCCC)CC2)cc1Cl ZINC000179329577 1094790105 /nfs/dbraw/zinc/79/01/05/1094790105.db2.gz BFJDHXRXIOPQQL-UHFFFAOYSA-N 0 1 364.917 4.033 20 30 FIEDMN C[C@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)C1=CC[N@@H+](C)CC1 ZINC000329358654 1094860771 /nfs/dbraw/zinc/86/07/71/1094860771.db2.gz XDPUTCGRRYCPLC-BZSISCHUSA-N 0 1 373.541 4.156 20 30 FIEDMN [O-]C(=[NH+]CCc1ccc(O)cc1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000329463790 1094921525 /nfs/dbraw/zinc/92/15/25/1094921525.db2.gz UMWXFBWFWYMZTR-PWRODBHTSA-N 0 1 350.462 4.117 20 30 FIEDMN O=C(Nc1ccccc1F)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329481330 1094930472 /nfs/dbraw/zinc/93/04/72/1094930472.db2.gz RDGNIPJQRDACTJ-HNNXBMFYSA-N 0 1 371.460 4.417 20 30 FIEDMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)n[nH]1 ZINC000329480907 1094930978 /nfs/dbraw/zinc/93/09/78/1094930978.db2.gz RACHTCCIHWDYPG-WMLDXEAASA-N 0 1 369.513 4.112 20 30 FIEDMN O=C(Nc1ccsc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329498213 1094937262 /nfs/dbraw/zinc/93/72/62/1094937262.db2.gz XUGXJYWUJDRAPR-AWEZNQCLSA-N 0 1 359.499 4.339 20 30 FIEDMN C[C@H]1CCN(C(=O)Nc2nc3c(s2)CCCC3(C)C)C[C@H]1n1ccnc1 ZINC000329562231 1094975410 /nfs/dbraw/zinc/97/54/10/1094975410.db2.gz JMIWKJNEUOSOPH-UONOGXRCSA-N 0 1 373.526 4.082 20 30 FIEDMN N#Cc1ccnc(CNC2(c3ccc(Br)cc3)CCCC2)c1 ZINC001168044578 1094991355 /nfs/dbraw/zinc/99/13/55/1094991355.db2.gz SGLKSXFRISTHQG-UHFFFAOYSA-N 0 1 356.267 4.275 20 30 FIEDMN Cc1cc(C)nc(NC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000329634187 1095032895 /nfs/dbraw/zinc/03/28/95/1095032895.db2.gz SWYSNYOFWRMILC-HNNXBMFYSA-N 0 1 370.522 4.459 20 30 FIEDMN O=C(NC1CCCCC1)NC1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000329658846 1095060873 /nfs/dbraw/zinc/06/08/73/1095060873.db2.gz HKAGXFMWOCDXKG-UHFFFAOYSA-N 0 1 371.525 4.029 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3CC(=O)NC3(C#N)CCCCC3)[nH]c2c1 ZINC000329682732 1095121061 /nfs/dbraw/zinc/12/10/61/1095121061.db2.gz SPQQZACAKYYFSU-SFHVURJKSA-N 0 1 365.481 4.191 20 30 FIEDMN CSc1nc(CN2CCC(Cc3ccc(F)cc3)CC2)ccc1C#N ZINC001141941791 1095224070 /nfs/dbraw/zinc/22/40/70/1095224070.db2.gz YCDSJAOPCQFBKR-UHFFFAOYSA-N 0 1 355.482 4.269 20 30 FIEDMN N#Cc1ccc(N2CCC[C@H](N[C@@H](CC(F)F)c3ccccc3)C2=O)cc1 ZINC000420998632 1095235315 /nfs/dbraw/zinc/23/53/15/1095235315.db2.gz UDRATTPOKVFECG-OALUTQOASA-N 0 1 369.415 4.040 20 30 FIEDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000329731996 1095240452 /nfs/dbraw/zinc/24/04/52/1095240452.db2.gz GWSXFPSDFOMBTG-UHFFFAOYSA-N 0 1 364.453 4.427 20 30 FIEDMN Cc1ccc(NC(=O)CN2CCCC[C@H]2c2n[nH]c(C(C)C)n2)cc1F ZINC000329772358 1095260563 /nfs/dbraw/zinc/26/05/63/1095260563.db2.gz HJJLPBHSYQPZMS-INIZCTEOSA-N 0 1 359.449 4.191 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+][C@@H]2CCCC2(C)C)CC1 ZINC000329940674 1095322461 /nfs/dbraw/zinc/32/24/61/1095322461.db2.gz BTLGPRKMKPGBNK-LJQANCHMSA-N 0 1 354.498 4.474 20 30 FIEDMN Cn1cc(C2CCN(C([O-])=[NH+][C@@H]3CCC[C@@H](c4ccccc4)C3)CC2)cn1 ZINC000329979236 1095335642 /nfs/dbraw/zinc/33/56/42/1095335642.db2.gz JDGBSOHCQROCHO-TZIWHRDSSA-N 0 1 366.509 4.240 20 30 FIEDMN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000330010333 1095350118 /nfs/dbraw/zinc/35/01/18/1095350118.db2.gz GWTAGJKQIYRHNJ-SXLOBPIMSA-N 0 1 370.472 4.045 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC(=O)N1CCC[C@H]1c1cccs1)CC2 ZINC000330037511 1095359901 /nfs/dbraw/zinc/35/99/01/1095359901.db2.gz DGZKTRKXMRJCSZ-CVEARBPZSA-N 0 1 358.511 4.134 20 30 FIEDMN Cc1coc(-c2cc(NC(=O)N3CCC(c4cnc[nH]4)CC3)ccc2C)n1 ZINC000330080921 1095373487 /nfs/dbraw/zinc/37/34/87/1095373487.db2.gz GPIQUONUZPWAQJ-UHFFFAOYSA-N 0 1 365.437 4.107 20 30 FIEDMN CC(C)(C)c1cc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)n(C(C)(C)C)n1 ZINC000330101278 1095381281 /nfs/dbraw/zinc/38/12/81/1095381281.db2.gz FBVJMXQLEDTUFS-CYBMUJFWSA-N 0 1 358.490 4.062 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CCC[C@H]1C1CCCCC1)CC2 ZINC000330113247 1095384572 /nfs/dbraw/zinc/38/45/72/1095384572.db2.gz SAFIRJAPPMPHRO-MOPGFXCFSA-N 0 1 358.530 4.280 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(F)cc1)CC2 ZINC000330118767 1095386183 /nfs/dbraw/zinc/38/61/83/1095386183.db2.gz YYVMONVKEFRHFK-RTBURBONSA-N 0 1 370.472 4.212 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000330128427 1095388753 /nfs/dbraw/zinc/38/87/53/1095388753.db2.gz JLXPLUBPYCQBGW-SFHVURJKSA-N 0 1 374.435 4.424 20 30 FIEDMN O=C(NCC1(c2c(F)cccc2F)CCCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000330136774 1095389261 /nfs/dbraw/zinc/38/92/61/1095389261.db2.gz NMDYIKGALRVNNM-INIZCTEOSA-N 0 1 374.435 4.081 20 30 FIEDMN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330132612 1095390700 /nfs/dbraw/zinc/39/07/00/1095390700.db2.gz LMNZJSTUKCPFBR-DCGLDWPTSA-N 0 1 360.889 4.479 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000330143119 1095393345 /nfs/dbraw/zinc/39/33/45/1095393345.db2.gz QYAPWMOETFQICH-SFHVURJKSA-N 0 1 374.435 4.424 20 30 FIEDMN CC(C)(C)c1ccc([C@@H]2CCCN2C([O-])=[NH+][C@H]2CCn3ccnc3C2)cc1 ZINC000330201002 1095413858 /nfs/dbraw/zinc/41/38/58/1095413858.db2.gz XDTCMSFCAAXLAF-OALUTQOASA-N 0 1 366.509 4.247 20 30 FIEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000330217735 1095420990 /nfs/dbraw/zinc/42/09/90/1095420990.db2.gz ITWSIPGPZLANAD-NOZJJQNGSA-N 0 1 360.635 4.377 20 30 FIEDMN CCn1cc(-c2[nH]ncc2C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)cn1 ZINC000330258898 1095437881 /nfs/dbraw/zinc/43/78/81/1095437881.db2.gz MWQSPQYZQOFMOS-MRXNPFEDSA-N 0 1 367.453 4.213 20 30 FIEDMN Cc1cc2c[nH]nc2c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1 ZINC000502397453 1095445316 /nfs/dbraw/zinc/44/53/16/1095445316.db2.gz AGGWNJATYDNUSG-UHFFFAOYSA-N 0 1 359.414 4.119 20 30 FIEDMN COc1ccc(CNCc2ccc(C#N)c(F)c2)cc1OC1CCCC1 ZINC000421320775 1095517229 /nfs/dbraw/zinc/51/72/29/1095517229.db2.gz COVMMISWRZIHBY-UHFFFAOYSA-N 0 1 354.425 4.317 20 30 FIEDMN COc1cccc(CNCc2ccc(C#N)c(F)c2)c1OC1CCCC1 ZINC000421327811 1095524344 /nfs/dbraw/zinc/52/43/44/1095524344.db2.gz RFCPWYMPQYSPNV-UHFFFAOYSA-N 0 1 354.425 4.317 20 30 FIEDMN CCCOc1ccc(CNCc2ccc(C#N)c(F)c2)c(OC(F)F)c1 ZINC000421362852 1095560151 /nfs/dbraw/zinc/56/01/51/1095560151.db2.gz KDRHKOPZPFJGHB-UHFFFAOYSA-N 0 1 364.367 4.377 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000330359166 1095563747 /nfs/dbraw/zinc/56/37/47/1095563747.db2.gz VSMUNVNULDDOPQ-IAGOWNOFSA-N 0 1 360.408 4.207 20 30 FIEDMN CC(C)CNC(=O)c1cccc(CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502554562 1095586320 /nfs/dbraw/zinc/58/63/20/1095586320.db2.gz REGOWRQDSHATAL-UHFFFAOYSA-N 0 1 373.500 4.233 20 30 FIEDMN CSc1ccccc1S(=O)(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000436005305 1098642840 /nfs/dbraw/zinc/64/28/40/1098642840.db2.gz GWCMHPIKKDNTGN-UHFFFAOYSA-N 0 1 372.393 4.100 20 30 FIEDMN N#Cc1cccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c1 ZINC000515586147 1098732098 /nfs/dbraw/zinc/73/20/98/1098732098.db2.gz QVRJSSMSTZPKBT-UHFFFAOYSA-N 0 1 370.387 4.417 20 30 FIEDMN C=CCN(Cc1ccccc1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000515781972 1098933392 /nfs/dbraw/zinc/93/33/92/1098933392.db2.gz LVEKHVBEDVBEJD-UHFFFAOYSA-N 0 1 360.457 4.398 20 30 FIEDMN N#Cc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000533360444 1098979682 /nfs/dbraw/zinc/97/96/82/1098979682.db2.gz SJCPRKCWSPIMLI-UHFFFAOYSA-N 0 1 353.853 4.062 20 30 FIEDMN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NCc2nc(C#N)cs2)cc1 ZINC000516119473 1099198563 /nfs/dbraw/zinc/19/85/63/1099198563.db2.gz MLDQVJJEZFBGHO-OALUTQOASA-N 0 1 371.506 4.283 20 30 FIEDMN CC(C)(NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000508672769 1099573916 /nfs/dbraw/zinc/57/39/16/1099573916.db2.gz WKNRZKCSAZMBIZ-UHFFFAOYSA-N 0 1 367.518 4.352 20 30 FIEDMN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000437523357 1099968036 /nfs/dbraw/zinc/96/80/36/1099968036.db2.gz KIKYNIFGUCCSGB-SCLBCKFNSA-N 0 1 367.474 4.002 20 30 FIEDMN C=C[C@@H](CC(=O)Nc1ccccc1N1CCN(CC)CC1)c1ccccc1 ZINC000533884820 1100093500 /nfs/dbraw/zinc/09/35/00/1100093500.db2.gz PFBCBFUJBUVUDJ-IBGZPJMESA-N 0 1 363.505 4.127 20 30 FIEDMN C=C(CC)CN[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000536881685 1100407875 /nfs/dbraw/zinc/40/78/75/1100407875.db2.gz MXFSTTUKPBPUQK-NRFANRHFSA-N 0 1 357.519 4.298 20 30 FIEDMN N#Cc1ccc(C2=CC[N@@H+](Cc3cnn(Cc4ccc(F)cc4)c3)CC2)cc1 ZINC000438105921 1100431888 /nfs/dbraw/zinc/43/18/88/1100431888.db2.gz RERSFJKNMXUNBH-UHFFFAOYSA-N 0 1 372.447 4.231 20 30 FIEDMN N#Cc1ccc(C2=CCN(Cc3cnn(Cc4ccc(F)cc4)c3)CC2)cc1 ZINC000438105921 1100431898 /nfs/dbraw/zinc/43/18/98/1100431898.db2.gz RERSFJKNMXUNBH-UHFFFAOYSA-N 0 1 372.447 4.231 20 30 FIEDMN C=CCCO[C@H](C)C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000517988540 1100845181 /nfs/dbraw/zinc/84/51/81/1100845181.db2.gz OYTUWKRPBHKBFL-CYBMUJFWSA-N 0 1 353.397 4.289 20 30 FIEDMN N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000438724457 1100885901 /nfs/dbraw/zinc/88/59/01/1100885901.db2.gz OYXGENGJPUQRAU-IBGZPJMESA-N 0 1 353.853 4.377 20 30 FIEDMN N#Cc1ccc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)c(Cl)c1 ZINC000439455367 1101460105 /nfs/dbraw/zinc/46/01/05/1101460105.db2.gz UTWGFUAPLQOQHE-UHFFFAOYSA-N 0 1 371.843 4.201 20 30 FIEDMN Cc1oc(NC(=O)CN[C@@H](C)c2ccccc2C(F)(F)F)c(C#N)c1C ZINC000537157905 1101503752 /nfs/dbraw/zinc/50/37/52/1101503752.db2.gz DAMVHYGFZUOIMX-NSHDSACASA-N 0 1 365.355 4.076 20 30 FIEDMN O=C1c2ccc(Br)cc2C/C1=C\c1cc(F)c(O)c(F)c1 ZINC000760230835 1101906486 /nfs/dbraw/zinc/90/64/86/1101906486.db2.gz XYNBBAGHHNRKBP-XCVCLJGOSA-N 0 1 351.146 4.255 20 30 FIEDMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000127559422 1101974923 /nfs/dbraw/zinc/97/49/23/1101974923.db2.gz KIYFUPOSEOVIFI-UONOGXRCSA-N 0 1 371.868 4.207 20 30 FIEDMN Cc1cc(C)c(C#N)c(N2CCN(Cc3cccc4ccccc43)CC2)n1 ZINC000018060389 1101988948 /nfs/dbraw/zinc/98/89/48/1101988948.db2.gz XTFTXOMCPHVROF-UHFFFAOYSA-N 0 1 356.473 4.046 20 30 FIEDMN CC(C)c1ccc(C2(O)CCC(NCc3nc(C#N)cs3)CC2)cc1 ZINC000897630397 1102020815 /nfs/dbraw/zinc/02/08/15/1102020815.db2.gz XQRMKZGKPMIUMT-UHFFFAOYSA-N 0 1 355.507 4.058 20 30 FIEDMN C[C@@H](c1nc2ccccc2s1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000610447495 1102053026 /nfs/dbraw/zinc/05/30/26/1102053026.db2.gz OTLQCKVYKCUYOT-INIZCTEOSA-N 0 1 356.539 4.305 20 30 FIEDMN CCc1cc(N=NCc2cc(F)cc3cccnc32)nc(-c2ccccn2)n1 ZINC000760252282 1102202326 /nfs/dbraw/zinc/20/23/26/1102202326.db2.gz DSDUDWNWAOTPDQ-UHFFFAOYSA-N 0 1 372.407 4.234 20 30 FIEDMN Cc1ccc2ccccc2c1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610842215 1102302382 /nfs/dbraw/zinc/30/23/82/1102302382.db2.gz SKJNFILYCVSVHL-UHFFFAOYSA-N 0 1 372.472 4.208 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)c(C#N)c1C ZINC000532568955 1102493937 /nfs/dbraw/zinc/49/39/37/1102493937.db2.gz SPHCVWHMWQGSEA-GXTWGEPZSA-N 0 1 373.884 4.484 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1C(C)(C)C ZINC000532581786 1102502606 /nfs/dbraw/zinc/50/26/06/1102502606.db2.gz VGRMVJKPNLWNJP-QAPCUYQASA-N 0 1 359.539 4.387 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1csc(-c2ccccc2)n1 ZINC000122869175 1102621886 /nfs/dbraw/zinc/62/18/86/1102621886.db2.gz UCUKKUMWJDUPPN-CQSZACIVSA-N 0 1 358.426 4.187 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1csc(-c2ccccc2)n1 ZINC000122869175 1102621890 /nfs/dbraw/zinc/62/18/90/1102621890.db2.gz UCUKKUMWJDUPPN-CQSZACIVSA-N 0 1 358.426 4.187 20 30 FIEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000550969025 1102735535 /nfs/dbraw/zinc/73/55/35/1102735535.db2.gz JENVEOVOBZDPEV-UHFFFAOYSA-N 0 1 363.442 4.038 20 30 FIEDMN C=CCCC1(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000476733297 1102738285 /nfs/dbraw/zinc/73/82/85/1102738285.db2.gz ZLAYBHZWTKFCBD-MRXNPFEDSA-N 0 1 354.416 4.171 20 30 FIEDMN N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000507022562 1103059646 /nfs/dbraw/zinc/05/96/46/1103059646.db2.gz PNTXWSQZXGUBQG-UHFFFAOYSA-N 0 1 372.306 4.345 20 30 FIEDMN Cc1sc(NC(=O)CN(C)[C@H]2CCCc3ccccc32)c(C#N)c1C ZINC000532755049 1103186173 /nfs/dbraw/zinc/18/61/73/1103186173.db2.gz SLPODVVITYZDMK-SFHVURJKSA-N 0 1 353.491 4.185 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000507651570 1103573995 /nfs/dbraw/zinc/57/39/95/1103573995.db2.gz QGZGAIQIBKWKAK-HNNXBMFYSA-N 0 1 355.869 4.451 20 30 FIEDMN N#Cc1cccc(CN[C@@H](c2cncc(Br)c2)C2CC2)c1F ZINC000551750730 1103606383 /nfs/dbraw/zinc/60/63/83/1103606383.db2.gz UQXOUQKUVQXDMU-QGZVFWFLSA-N 0 1 360.230 4.096 20 30 FIEDMN COc1ccc(CN2CCC(C)(C#N)CC2)cc1OCc1ccccc1 ZINC000507718172 1103633666 /nfs/dbraw/zinc/63/36/66/1103633666.db2.gz ZBOWYOMCDBPBOY-UHFFFAOYSA-N 0 1 350.462 4.400 20 30 FIEDMN N#Cc1ccc2ncc(CN[C@H]3CCSc4ccc(Cl)cc43)n2c1 ZINC000551798970 1103647698 /nfs/dbraw/zinc/64/76/98/1103647698.db2.gz CRYUKCJTFPBLNZ-INIZCTEOSA-N 0 1 354.866 4.186 20 30 FIEDMN C[C@@H](N)c1ncc(-c2nc(-c3cc(Cl)c(C#N)cc3Cl)no2)s1 ZINC001213207723 1103743443 /nfs/dbraw/zinc/74/34/43/1103743443.db2.gz KLFLCGSQDMJJQF-ZCFIWIBFSA-N 0 1 366.233 4.058 20 30 FIEDMN N#Cc1ccc(CN2CCC(Cc3cccnc3)CC2)c(OC(F)F)c1 ZINC000537841774 1103963992 /nfs/dbraw/zinc/96/39/92/1103963992.db2.gz SSCPUYZODCACRW-UHFFFAOYSA-N 0 1 357.404 4.009 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cnn(C)c2-c2ccccc2)n1 ZINC000538176707 1104009501 /nfs/dbraw/zinc/00/95/01/1104009501.db2.gz MIVIOUYJKPKCGY-AWEZNQCLSA-N 0 1 350.447 4.157 20 30 FIEDMN CC[C@@H]1Oc2cc([C@H](C)NCC#Cc3ccccc3Cl)ccc2NC1=O ZINC000538256532 1104081334 /nfs/dbraw/zinc/08/13/34/1104081334.db2.gz MRRLXYKIXLLLDI-LIRRHRJNSA-N 0 1 368.864 4.152 20 30 FIEDMN Cc1cccc(NC(=O)[C@H](C)N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000328654342 1104525589 /nfs/dbraw/zinc/52/55/89/1104525589.db2.gz LRWYDFHJGMXABY-ZWKOTPCHSA-N 0 1 366.509 4.384 20 30 FIEDMN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1C[C@H](c3ccccc3C)C[C@@H]1C)CCC2 ZINC000328695370 1104538881 /nfs/dbraw/zinc/53/88/81/1104538881.db2.gz GITQONJIBNLOOW-GBESFXJTSA-N 0 1 366.509 4.169 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3c4cccc(F)c4CC[C@H]3C)C2)n[nH]1 ZINC000328702277 1104541564 /nfs/dbraw/zinc/54/15/64/1104541564.db2.gz NSTWRBZIYHKUGO-RCDCFZSISA-N 0 1 370.472 4.274 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3c4cccc(F)c4CC[C@@H]3C)C2)n[nH]1 ZINC000328702276 1104541822 /nfs/dbraw/zinc/54/18/22/1104541822.db2.gz NSTWRBZIYHKUGO-AGKSTNPPSA-N 0 1 370.472 4.274 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)NCc3oc4ccc(F)cc4c3C)C2)n[nH]1 ZINC000328748589 1104548565 /nfs/dbraw/zinc/54/85/65/1104548565.db2.gz QMEYBNFGWSNAMO-AWEZNQCLSA-N 0 1 370.428 4.205 20 30 FIEDMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC000328779834 1104566627 /nfs/dbraw/zinc/56/66/27/1104566627.db2.gz MHXIZPPXDLTYJO-UWWQBHOKSA-N 0 1 371.506 4.135 20 30 FIEDMN COc1ccc(-c2nc(NC(=O)C34CCCN3CCC4)sc2C)cc1 ZINC000328836356 1104574665 /nfs/dbraw/zinc/57/46/65/1104574665.db2.gz MQTOBQDBCRPJIH-UHFFFAOYSA-N 0 1 357.479 4.344 20 30 FIEDMN COc1cc(OC)c(NC(=O)CN2CCC[C@@H]2C2CCC2)cc1Cl ZINC000328910740 1104599189 /nfs/dbraw/zinc/59/91/89/1104599189.db2.gz FVHMETKIVGLDKZ-OAHLLOKOSA-N 0 1 352.862 4.210 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cccc(-c3ccoc3)c2)n1 ZINC000536348137 1104773843 /nfs/dbraw/zinc/77/38/43/1104773843.db2.gz IEXHGPXRZNKHKR-OAHLLOKOSA-N 0 1 366.398 4.070 20 30 FIEDMN Cc1c2ccccc2oc1[C@H](C)N[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000183571056 1105056996 /nfs/dbraw/zinc/05/69/96/1105056996.db2.gz HDINJPHENXJHEP-JKSUJKDBSA-N 0 1 353.466 4.123 20 30 FIEDMN N#CC1(CN(Cc2cccc(Br)c2)C2CCOCC2)CCC1 ZINC000450834630 1106744459 /nfs/dbraw/zinc/74/44/59/1106744459.db2.gz ZCXUFJCOHRWVIR-UHFFFAOYSA-N 0 1 363.299 4.124 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(C3CC3)c2)c(C#N)c1C ZINC000451116849 1106929507 /nfs/dbraw/zinc/92/95/07/1106929507.db2.gz SEJPLRRAMBOLHQ-ZIAGYGMSSA-N 0 1 351.450 4.323 20 30 FIEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000451598377 1107206920 /nfs/dbraw/zinc/20/69/20/1107206920.db2.gz KRBHIANJGZDANG-XLIONFOSSA-N 0 1 367.880 4.171 20 30 FIEDMN CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC001126600750 1107533690 /nfs/dbraw/zinc/53/36/90/1107533690.db2.gz SANFKSRJHHKWGL-GOSISDBHSA-N 0 1 367.424 4.301 20 30 FIEDMN CC(C)(C#N)CCCCN1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000444660107 1108053938 /nfs/dbraw/zinc/05/39/38/1108053938.db2.gz RJLDREMWGRIETG-IBGZPJMESA-N 0 1 369.509 4.135 20 30 FIEDMN COc1ccc(CNc2nccn2Cc2ccccc2Cl)cc1C#N ZINC000508503585 1108057922 /nfs/dbraw/zinc/05/79/22/1108057922.db2.gz IMZHGNALETVRKJ-UHFFFAOYSA-N 0 1 352.825 4.077 20 30 FIEDMN CC(C)[C@@H]1CCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000444752663 1108151599 /nfs/dbraw/zinc/15/15/99/1108151599.db2.gz GAOBDLVRAYFMDJ-IAGOWNOFSA-N 0 1 359.539 4.387 20 30 FIEDMN CC(C)[C@H]1CCCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000444773058 1108168989 /nfs/dbraw/zinc/16/89/89/1108168989.db2.gz QBMGFNJWRILAJX-IRXDYDNUSA-N 0 1 359.539 4.245 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c1 ZINC000444897526 1108289395 /nfs/dbraw/zinc/28/93/95/1108289395.db2.gz FQKUCQWFJOAABF-UHFFFAOYSA-N 0 1 356.470 4.326 20 30 FIEDMN Cn1nc(-c2ccccc2)cc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000453779834 1108735066 /nfs/dbraw/zinc/73/50/66/1108735066.db2.gz NLTXIHRORNYFSQ-CQSZACIVSA-N 0 1 364.474 4.331 20 30 FIEDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ccc(F)c(C#N)c3)n2)cc1 ZINC000508536202 1108899025 /nfs/dbraw/zinc/89/90/25/1108899025.db2.gz YPXATBLXIGLJAV-UHFFFAOYSA-N 0 1 363.396 4.032 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000524908098 1109199188 /nfs/dbraw/zinc/19/91/88/1109199188.db2.gz MXULSXOIOZZBRR-IIBYNOLFSA-N 0 1 368.502 4.124 20 30 FIEDMN FC(F)(F)Oc1ccc(C#CCN2CCC[C@H](c3nccs3)C2)cc1 ZINC000446840991 1109360814 /nfs/dbraw/zinc/36/08/14/1109360814.db2.gz KXYLHGOFNAUYMN-HNNXBMFYSA-N 0 1 366.408 4.273 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1cccc(Cl)c1 ZINC000525423083 1109384562 /nfs/dbraw/zinc/38/45/62/1109384562.db2.gz ALHHHVHOAUXPRP-SFHVURJKSA-N 0 1 356.853 4.436 20 30 FIEDMN N#Cc1ccc(N2CCN(Cc3cccc4cc[nH]c43)CC2)c(Cl)c1 ZINC000446921541 1109390252 /nfs/dbraw/zinc/39/02/52/1109390252.db2.gz SJOSOYPKFMWBSV-UHFFFAOYSA-N 0 1 350.853 4.015 20 30 FIEDMN Cc1sc(NC(=O)CN(C)[C@@H](C)Cc2ccccc2C)c(C#N)c1C ZINC000447403567 1109534812 /nfs/dbraw/zinc/53/48/12/1109534812.db2.gz GBABNNQKZZVRDR-AWEZNQCLSA-N 0 1 355.507 4.047 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@H](N[C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000447542703 1109573441 /nfs/dbraw/zinc/57/34/41/1109573441.db2.gz JTNDBNQFXHYDMR-WMLDXEAASA-N 0 1 352.434 4.365 20 30 FIEDMN CC[C@@H](NCc1cc(Br)cc2c1OCC2)c1ccc(C#N)cc1 ZINC000447600422 1109598521 /nfs/dbraw/zinc/59/85/21/1109598521.db2.gz MKWYUKIOKXDIGT-GOSISDBHSA-N 0 1 371.278 4.497 20 30 FIEDMN C=CCCC1(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)CC1 ZINC000527003148 1109662333 /nfs/dbraw/zinc/66/23/33/1109662333.db2.gz WIZIXWNIZNZAQC-KRWDZBQOSA-N 0 1 356.514 4.305 20 30 FIEDMN CN(C)[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)cc1 ZINC000527012946 1109665872 /nfs/dbraw/zinc/66/58/72/1109665872.db2.gz FCAUNJPBMBPKGE-LJQANCHMSA-N 0 1 369.896 4.174 20 30 FIEDMN N#Cc1ccc(OC2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)cc1 ZINC000527239734 1109719815 /nfs/dbraw/zinc/71/98/15/1109719815.db2.gz DANVFOYAOSJLPZ-UHFFFAOYSA-N 0 1 364.474 4.053 20 30 FIEDMN CCOc1ccc(F)c(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1F ZINC000448192579 1109739710 /nfs/dbraw/zinc/73/97/10/1109739710.db2.gz YTNGIFHLEVZZEL-UHFFFAOYSA-N 0 1 369.327 4.142 20 30 FIEDMN N#Cc1ccc(CN2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000449439504 1110079562 /nfs/dbraw/zinc/07/95/62/1110079562.db2.gz VSWMEEDUAVDSRE-UHFFFAOYSA-N 0 1 351.397 4.413 20 30 FIEDMN CC(C)Oc1ccccc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528781927 1110112281 /nfs/dbraw/zinc/11/22/81/1110112281.db2.gz HZBZQUYAHOXHAO-UHFFFAOYSA-N 0 1 350.462 4.141 20 30 FIEDMN C=CCC1(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000449605466 1110126383 /nfs/dbraw/zinc/12/63/83/1110126383.db2.gz NJOADINVRDLIQG-GOSISDBHSA-N 0 1 354.454 4.144 20 30 FIEDMN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCCC12CC2 ZINC000528918513 1110151450 /nfs/dbraw/zinc/15/14/50/1110151450.db2.gz JYWCTHLABCQHJL-KGLIPLIRSA-N 0 1 351.233 4.221 20 30 FIEDMN N#CC(C(=O)C1CCc2ccccc2CC1)c1cc(C(F)(F)F)ccn1 ZINC000529019395 1110178353 /nfs/dbraw/zinc/17/83/53/1110178353.db2.gz HKBMKDJNXFXQLF-KRWDZBQOSA-N 0 1 358.363 4.472 20 30 FIEDMN Cc1ccc2occ(CC(=O)C(C#N)=C(O)C3(c4ccccc4)CC3)c2c1 ZINC000529040436 1110179326 /nfs/dbraw/zinc/17/93/26/1110179326.db2.gz NINOJMNNXNTIJN-LJQANCHMSA-N 0 1 357.409 4.294 20 30 FIEDMN CC(C)c1[nH]ncc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000193431112 1110181343 /nfs/dbraw/zinc/18/13/43/1110181343.db2.gz DUXVRIPMQQEHIV-UHFFFAOYSA-N 0 1 374.444 4.430 20 30 FIEDMN N#CC1(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CCCC1 ZINC000461567632 1111268813 /nfs/dbraw/zinc/26/88/13/1111268813.db2.gz KKUQBNGROINMRX-UHFFFAOYSA-N 0 1 365.521 4.118 20 30 FIEDMN N#Cc1cccc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1F ZINC000539250419 1111486161 /nfs/dbraw/zinc/48/61/61/1111486161.db2.gz VQEPHXPINCJFFA-MRXNPFEDSA-N 0 1 355.482 4.412 20 30 FIEDMN CC(C)Sc1ccc([C@H](C)NCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000539303747 1111513084 /nfs/dbraw/zinc/51/30/84/1111513084.db2.gz KEQVKNYVILAVEU-INIZCTEOSA-N 0 1 367.518 4.026 20 30 FIEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000539360846 1111537486 /nfs/dbraw/zinc/53/74/86/1111537486.db2.gz VOMYVYKAIZPGKD-GOSISDBHSA-N 0 1 364.489 4.213 20 30 FIEDMN Cc1nc(-c2ccccc2C)sc1C(=O)[C@H](C#N)c1cc(C)nc(C)n1 ZINC000477829820 1111575785 /nfs/dbraw/zinc/57/57/85/1111575785.db2.gz KXWWMXARQFJIGG-MRXNPFEDSA-N 0 1 362.458 4.324 20 30 FIEDMN Cc1nc(-c2ccccc2C)sc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000477829820 1111575790 /nfs/dbraw/zinc/57/57/90/1111575790.db2.gz KXWWMXARQFJIGG-MRXNPFEDSA-N 0 1 362.458 4.324 20 30 FIEDMN C=CCC[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccco1 ZINC000552254877 1111646629 /nfs/dbraw/zinc/64/66/29/1111646629.db2.gz YVOWYAQUZQFTDW-ZIFCJYIRSA-N 0 1 355.482 4.085 20 30 FIEDMN CC(C)[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000553063271 1111898265 /nfs/dbraw/zinc/89/82/65/1111898265.db2.gz JLLYSNDNKHUOGI-NRFANRHFSA-N 0 1 371.431 4.198 20 30 FIEDMN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(OC(F)F)c1 ZINC000553261821 1111941121 /nfs/dbraw/zinc/94/11/21/1111941121.db2.gz VABXCLAXWFMUOS-GOSISDBHSA-N 0 1 358.388 4.335 20 30 FIEDMN CSc1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1C ZINC000479514807 1112056918 /nfs/dbraw/zinc/05/69/18/1112056918.db2.gz WZOFASIZKJRYHD-UHFFFAOYSA-N 0 1 352.868 4.043 20 30 FIEDMN C=CCC1(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)CCC1 ZINC000480040614 1112249651 /nfs/dbraw/zinc/24/96/51/1112249651.db2.gz QKUHMCBBKBRWAB-UHFFFAOYSA-N 0 1 369.509 4.186 20 30 FIEDMN C[C@@H]1C[C@H](c2cccnc2)N(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000554262650 1112270800 /nfs/dbraw/zinc/27/08/00/1112270800.db2.gz CFZCZEXGQRWVTG-DNVCBOLYSA-N 0 1 360.379 4.415 20 30 FIEDMN C[C@H]1C[C@H](c2cccnc2)N(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000554262652 1112271320 /nfs/dbraw/zinc/27/13/20/1112271320.db2.gz CFZCZEXGQRWVTG-HNAYVOBHSA-N 0 1 360.379 4.415 20 30 FIEDMN C[C@H](NCC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000554849551 1112528417 /nfs/dbraw/zinc/52/84/17/1112528417.db2.gz ZMGPRJLFOHCGTR-LIRRHRJNSA-N 0 1 355.507 4.174 20 30 FIEDMN N#Cc1cccc(C2(NCc3ccsc3C(F)(F)F)CCOCC2)c1 ZINC000600179993 1112917436 /nfs/dbraw/zinc/91/74/36/1112917436.db2.gz DFDFXTSNRJVEQC-UHFFFAOYSA-N 0 1 366.408 4.434 20 30 FIEDMN COc1cc(CN[C@H](C)c2ccc(F)c(Br)c2)ccc1C#N ZINC000555612333 1112945958 /nfs/dbraw/zinc/94/59/58/1112945958.db2.gz WHHSNIVDYHZLCZ-LLVKDONJSA-N 0 1 363.230 4.319 20 30 FIEDMN CN(C)c1cc(C#N)cc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000555654938 1112958657 /nfs/dbraw/zinc/95/86/57/1112958657.db2.gz SWNLPGGVXLUADB-UHFFFAOYSA-N 0 1 359.433 4.020 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)c1ccco1 ZINC000158133705 1113211231 /nfs/dbraw/zinc/21/12/31/1113211231.db2.gz DZQRWXDMRMFCJQ-MOPGFXCFSA-N 0 1 368.481 4.007 20 30 FIEDMN C=CCCc1ccccc1NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000483119701 1113442741 /nfs/dbraw/zinc/44/27/41/1113442741.db2.gz QLQBQEYYUYOVGV-UHFFFAOYSA-N 0 1 355.482 4.384 20 30 FIEDMN C=CCCc1ccccc1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000483119701 1113442745 /nfs/dbraw/zinc/44/27/45/1113442745.db2.gz QLQBQEYYUYOVGV-UHFFFAOYSA-N 0 1 355.482 4.384 20 30 FIEDMN Cc1ccc(CN(CCO)CCC(C#N)(c2ccccc2)c2ccccc2)o1 ZINC000483194623 1113461320 /nfs/dbraw/zinc/46/13/20/1113461320.db2.gz INNHDEHJQLVMBH-UHFFFAOYSA-N 0 1 374.484 4.282 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccccn2)s1)c1nccc2ccccc21 ZINC000483193951 1113461380 /nfs/dbraw/zinc/46/13/80/1113461380.db2.gz JKRYLMFIMFTGFN-HNNXBMFYSA-N 0 1 356.410 4.243 20 30 FIEDMN Cc1noc(-c2ccccc2C(=O)C(C#N)c2nccc3ccccc32)n1 ZINC000483195712 1113461932 /nfs/dbraw/zinc/46/19/32/1113461932.db2.gz IRIFCYLIZFRWBF-SFHVURJKSA-N 0 1 354.369 4.083 20 30 FIEDMN C=CCCOCCCCC(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000907814387 1113580316 /nfs/dbraw/zinc/58/03/16/1113580316.db2.gz FGBAXQSOFXFIJH-GOSISDBHSA-N 0 1 373.541 4.194 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)s1 ZINC000486761234 1113637065 /nfs/dbraw/zinc/63/70/65/1113637065.db2.gz KNPSKJLLQFDSOQ-UHFFFAOYSA-N 0 1 371.425 4.324 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)c1 ZINC000486947074 1113682699 /nfs/dbraw/zinc/68/26/99/1113682699.db2.gz RDGXUHFBZHBOPX-ZIAGYGMSSA-N 0 1 357.458 4.156 20 30 FIEDMN C=CCn1c(SCc2n[nH]c(C(C)C)n2)nnc1-c1ccc(Cl)cc1 ZINC000488224318 1113883778 /nfs/dbraw/zinc/88/37/78/1113883778.db2.gz CPJLPPMYCCFUQA-UHFFFAOYSA-N 0 1 374.901 4.318 20 30 FIEDMN CCN(CCc1cccs1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000488298370 1113903622 /nfs/dbraw/zinc/90/36/22/1113903622.db2.gz WTSXDJDHTMATEK-MRXNPFEDSA-N 0 1 373.497 4.087 20 30 FIEDMN C=C1CCC(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000911241085 1113958855 /nfs/dbraw/zinc/95/88/55/1113958855.db2.gz CTMLDSJHYHSMPQ-LJQANCHMSA-N 0 1 355.869 4.284 20 30 FIEDMN N#CCCCCCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000911247285 1113959593 /nfs/dbraw/zinc/95/95/93/1113959593.db2.gz XAMNYERVKLSIIB-IBGZPJMESA-N 0 1 356.857 4.011 20 30 FIEDMN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1Cl ZINC000028852662 1114078734 /nfs/dbraw/zinc/07/87/34/1114078734.db2.gz MFLLPUFSFSUCPT-UHFFFAOYSA-N 0 1 362.260 4.326 20 30 FIEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000490018312 1114207954 /nfs/dbraw/zinc/20/79/54/1114207954.db2.gz PRLGONIFYPGRHN-OAHLLOKOSA-N 0 1 355.482 4.412 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1C=NN=c1[nH]c2cc(F)c(F)cc2[nH]1 ZINC000912825072 1114216021 /nfs/dbraw/zinc/21/60/21/1114216021.db2.gz BTGACTNNZOWLIK-UHFFFAOYSA-N 0 1 366.375 4.090 20 30 FIEDMN COc1cc(/C=C/C(=O)c2ccc3ccccc3c2O)ccc1OCC#N ZINC000156608943 1114470622 /nfs/dbraw/zinc/47/06/22/1114470622.db2.gz KCOPIEABPKXTGI-UXBLZVDNSA-N 0 1 359.381 4.352 20 30 FIEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)CCOCc1ccc(C#N)cc1 ZINC000588980806 1114684786 /nfs/dbraw/zinc/68/47/86/1114684786.db2.gz JBVLGJTVDNCJOK-UHFFFAOYSA-N 0 1 372.390 4.077 20 30 FIEDMN CC(C)[C@](C)(NCc1ccncc1C#N)c1ccc(Br)cc1 ZINC000592112252 1115203270 /nfs/dbraw/zinc/20/32/70/1115203270.db2.gz JXWOXYKFUNQDKT-SFHVURJKSA-N 0 1 358.283 4.377 20 30 FIEDMN N#CCCCN1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000058517829 1115246690 /nfs/dbraw/zinc/24/66/90/1115246690.db2.gz KNNLLQYDQBLOGD-UHFFFAOYSA-N 0 1 359.926 4.490 20 30 FIEDMN C=CCC[C@@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000593017890 1115276766 /nfs/dbraw/zinc/27/67/66/1115276766.db2.gz DESPITDELDZMTM-GOSISDBHSA-N 0 1 354.406 4.179 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccccc2-n2cccn2)s1 ZINC000574110581 1115290997 /nfs/dbraw/zinc/29/09/97/1115290997.db2.gz SVBVLXAWUSEMFG-AWEZNQCLSA-N 0 1 350.447 4.116 20 30 FIEDMN N#Cc1ccccc1S(=O)(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000058707737 1115309535 /nfs/dbraw/zinc/30/95/35/1115309535.db2.gz NFBPJRDGVWYOSC-UHFFFAOYSA-N 0 1 350.399 4.151 20 30 FIEDMN COc1cc(Br)ccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594522516 1115459104 /nfs/dbraw/zinc/45/91/04/1115459104.db2.gz ZBBJNRYSFDNBHW-UHFFFAOYSA-N 0 1 371.278 4.498 20 30 FIEDMN CC[C@@H](C)NC(=O)c1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594926615 1115490486 /nfs/dbraw/zinc/49/04/86/1115490486.db2.gz UOVZGJWERKVQBU-QGZVFWFLSA-N 0 1 361.489 4.060 20 30 FIEDMN N#Cc1csc(CN[C@H]2CSCc3ccc(Br)cc32)c1 ZINC000594973390 1115499790 /nfs/dbraw/zinc/49/97/90/1115499790.db2.gz AEJISDAQKXMSCN-HNNXBMFYSA-N 0 1 365.321 4.460 20 30 FIEDMN N#Cc1cccc(C2(NCc3ccccc3Br)CCOCC2)c1 ZINC000594984695 1115505476 /nfs/dbraw/zinc/50/54/76/1115505476.db2.gz RDSJSCCUYCKGMK-UHFFFAOYSA-N 0 1 371.278 4.116 20 30 FIEDMN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1cncc(Br)c1 ZINC000595049166 1115512025 /nfs/dbraw/zinc/51/20/25/1115512025.db2.gz ZGJALQGVABEELC-CYBMUJFWSA-N 0 1 356.267 4.446 20 30 FIEDMN CC(C)(C)[C@@H](NC(=O)CNC(C)(C)c1cccc(C#N)c1)c1cccs1 ZINC000595635928 1115552261 /nfs/dbraw/zinc/55/22/61/1115552261.db2.gz PMTHNRXOMHLSGC-IBGZPJMESA-N 0 1 369.534 4.348 20 30 FIEDMN N#Cc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)c(C(F)(F)F)c1 ZINC000595785185 1115563237 /nfs/dbraw/zinc/56/32/37/1115563237.db2.gz WJELYVCDUVEYKZ-SFHVURJKSA-N 0 1 352.400 4.358 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595785692 1115563599 /nfs/dbraw/zinc/56/35/99/1115563599.db2.gz FYZQKGKDQUXHKW-YJBOKZPZSA-N 0 1 363.299 4.102 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000596097532 1115572155 /nfs/dbraw/zinc/57/21/55/1115572155.db2.gz YTDQPUNAMFCUTI-LEWJYISDSA-N 0 1 354.457 4.398 20 30 FIEDMN C[C@@H]1C[C@H](N(C)c2nc(C#N)c(Cl)s2)CC[N@H+]1Cc1ccccc1 ZINC000596135117 1115575304 /nfs/dbraw/zinc/57/53/04/1115575304.db2.gz RTZBIWCNIOGZOS-UKRRQHHQSA-N 0 1 360.914 4.157 20 30 FIEDMN CCN(CC(=O)N(Cc1ccccc1)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060469283 1115645312 /nfs/dbraw/zinc/64/53/12/1115645312.db2.gz LVRGUEIZIVUUKD-SFHVURJKSA-N 0 1 361.489 4.132 20 30 FIEDMN N#CC[C@@H]1CCCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000597178492 1115646591 /nfs/dbraw/zinc/64/65/91/1115646591.db2.gz YQNWWEIZVURXIK-HNNXBMFYSA-N 0 1 362.399 4.076 20 30 FIEDMN C[C@@H](CCC(C)(C)C)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593350484 1115664226 /nfs/dbraw/zinc/66/42/26/1115664226.db2.gz PAPHIUCJHVXIOQ-KRWDZBQOSA-N 0 1 370.541 4.037 20 30 FIEDMN CCCC[C@H](CC)CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593354271 1115666366 /nfs/dbraw/zinc/66/63/66/1115666366.db2.gz NZYIYHIKXLTLOF-SFHVURJKSA-N 0 1 355.526 4.245 20 30 FIEDMN CC(C)c1nc(C#N)c(N=NC2CN(Cc3ccccc3)C(C)(C)C2)o1 ZINC000761260264 1115705921 /nfs/dbraw/zinc/70/59/21/1115705921.db2.gz DWJIZZTZMHHNCQ-UHFFFAOYSA-N 0 1 351.454 4.122 20 30 FIEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H]1c1cccs1 ZINC000598703159 1115745916 /nfs/dbraw/zinc/74/59/16/1115745916.db2.gz QCMZKHUGCAVNDL-ASPXRTSYSA-N 0 1 359.539 4.204 20 30 FIEDMN CCCN(CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000061001625 1115747487 /nfs/dbraw/zinc/74/74/87/1115747487.db2.gz BZGKJMMBKBPZFV-MRXNPFEDSA-N 0 1 369.896 4.301 20 30 FIEDMN CC(C)(C)OC(=O)[C@H]1C[C@H](NCc2ccc(C#N)s2)c2ccccc21 ZINC000593692696 1115795768 /nfs/dbraw/zinc/79/57/68/1115795768.db2.gz YXEBHCWVQCRWNF-ROUUACIJSA-N 0 1 354.475 4.280 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000603645836 1115801360 /nfs/dbraw/zinc/80/13/60/1115801360.db2.gz OHNNVIRJUIMELN-IBGZPJMESA-N 0 1 370.884 4.416 20 30 FIEDMN CCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(OC)cc1 ZINC000604492908 1115867768 /nfs/dbraw/zinc/86/77/68/1115867768.db2.gz UFTRQXIBAXURKG-UHFFFAOYSA-N 0 1 371.868 4.071 20 30 FIEDMN Cc1ccc(Cl)cc1NC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032209 1115964782 /nfs/dbraw/zinc/96/47/82/1115964782.db2.gz SOPVYJLNTYVYRP-UHFFFAOYSA-N 0 1 353.853 4.128 20 30 FIEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000063667608 1116092653 /nfs/dbraw/zinc/09/26/53/1116092653.db2.gz VWQJKRZJNUHCCQ-UHFFFAOYSA-N 0 1 362.408 4.138 20 30 FIEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cnc(CCC)s2)cc1 ZINC000173969902 1116102348 /nfs/dbraw/zinc/10/23/48/1116102348.db2.gz QXIGFSIFRGDTOK-INIZCTEOSA-N 0 1 369.490 4.399 20 30 FIEDMN COc1ccc2oc([C@H](C)NCc3ccc(OC)c(C#N)c3)c(C)c2c1 ZINC000174365276 1116130969 /nfs/dbraw/zinc/13/09/69/1116130969.db2.gz GDWLWJBHEWZOJE-AWEZNQCLSA-N 0 1 350.418 4.481 20 30 FIEDMN N#Cc1ccccc1S(=O)(=O)Nc1ccccc1NC1CCCCC1 ZINC000534289692 1116180612 /nfs/dbraw/zinc/18/06/12/1116180612.db2.gz VDBDTYVVTCVERZ-UHFFFAOYSA-N 0 1 355.463 4.104 20 30 FIEDMN C=CCOCCCC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457360441 1116269966 /nfs/dbraw/zinc/26/99/66/1116269966.db2.gz JYGDOOPPIOFKOX-QGZVFWFLSA-N 0 1 361.873 4.253 20 30 FIEDMN C=CCOc1cccc(NC(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)c1 ZINC000535126166 1116271954 /nfs/dbraw/zinc/27/19/54/1116271954.db2.gz SCHINWWWZQLLBL-UHFFFAOYSA-N 0 1 363.417 4.211 20 30 FIEDMN COC(=O)c1cccc(CN2CCC(c3c[nH]c4ccccc43)CC2)c1C#N ZINC000535226411 1116285606 /nfs/dbraw/zinc/28/56/06/1116285606.db2.gz OCGOZNBWBNDBDS-UHFFFAOYSA-N 0 1 373.456 4.206 20 30 FIEDMN CC(C)(C#N)CCN1CCC[C@@H]1c1ccccc1I ZINC000539587415 1116349295 /nfs/dbraw/zinc/34/92/95/1116349295.db2.gz CZVKVKBBYPHDPT-OAHLLOKOSA-N 0 1 368.262 4.368 20 30 FIEDMN COc1ccc(CN2Cc3ccccc3C[C@H]2C)cc1OCCCC#N ZINC000539838854 1116386813 /nfs/dbraw/zinc/38/68/13/1116386813.db2.gz YYJPKTCLNZWTGD-QGZVFWFLSA-N 0 1 350.462 4.325 20 30 FIEDMN COc1ccc(C#N)cc1CN[C@H](C)c1ccc(Br)s1 ZINC000443331556 1118039958 /nfs/dbraw/zinc/03/99/58/1118039958.db2.gz WBTPMNWZZHHMOK-SNVBAGLBSA-N 0 1 351.269 4.242 20 30 FIEDMN C=CCOCCCC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000463378581 1118129796 /nfs/dbraw/zinc/12/97/96/1118129796.db2.gz ZYECTPUJWQOIEX-UHFFFAOYSA-N 0 1 353.397 4.290 20 30 FIEDMN N#Cc1cc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000463647087 1118263743 /nfs/dbraw/zinc/26/37/43/1118263743.db2.gz ABCPSBAKXJHVEH-QGZVFWFLSA-N 0 1 367.796 4.338 20 30 FIEDMN CC1(C)COc2c1cccc2C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464421394 1118558757 /nfs/dbraw/zinc/55/87/57/1118558757.db2.gz STIAAIKIHVONMV-CYBMUJFWSA-N 0 1 360.335 4.260 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CCc2cccs2)c1 ZINC000464763371 1118685792 /nfs/dbraw/zinc/68/57/92/1118685792.db2.gz OXOSLALLXKVPPY-GOSISDBHSA-N 0 1 369.534 4.175 20 30 FIEDMN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176401034 1119002175 /nfs/dbraw/zinc/00/21/75/1119002175.db2.gz HVAGDMIBMSLZTA-UHFFFAOYSA-N 0 1 371.824 4.154 20 30 FIEDMN N#Cc1ccccc1Oc1ccccc1COC(=O)C12CCCN1CCC2 ZINC001272483619 1119029814 /nfs/dbraw/zinc/02/98/14/1119029814.db2.gz IOTVKJBNZKQGSL-UHFFFAOYSA-N 0 1 362.429 4.022 20 30 FIEDMN C[C@@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271980560 1119063177 /nfs/dbraw/zinc/06/31/77/1119063177.db2.gz WVEABYSBNXAPRR-MRXNPFEDSA-N 0 1 365.452 4.174 20 30 FIEDMN Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c(O[C@@H]2CCOC2)c1 ZINC000271974141 1119064445 /nfs/dbraw/zinc/06/44/45/1119064445.db2.gz VECMLAMJBUXRBH-HNAYVOBHSA-N 0 1 354.425 4.024 20 30 FIEDMN CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCc2ccccc21 ZINC000174815265 1119153850 /nfs/dbraw/zinc/15/38/50/1119153850.db2.gz YDUWQRDSFDUMMJ-OAQYLSRUSA-N 0 1 357.457 4.357 20 30 FIEDMN CCCn1nc(C)c(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000177587504 1119337902 /nfs/dbraw/zinc/33/79/02/1119337902.db2.gz ZUIIWDGHIKVSMI-CYBMUJFWSA-N 0 1 371.391 4.145 20 30 FIEDMN Cc1c(Br)scc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000186986979 1119759670 /nfs/dbraw/zinc/75/96/70/1119759670.db2.gz FRXRGHFDBDKNNV-JTQLQIEISA-N 0 1 374.263 4.196 20 30 FIEDMN N#Cc1cccc(OC2CCN(Cc3cc(-c4ccccc4)no3)CC2)c1 ZINC000609195253 1119842692 /nfs/dbraw/zinc/84/26/92/1119842692.db2.gz JYBBSLHUHJAWNP-UHFFFAOYSA-N 0 1 359.429 4.257 20 30 FIEDMN C=CCOc1ccccc1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000494494499 1119879081 /nfs/dbraw/zinc/87/90/81/1119879081.db2.gz NRRMTCCPKDSMFJ-UHFFFAOYSA-N 0 1 350.462 4.475 20 30 FIEDMN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccc(Oc3ccccc3)o2)c1 ZINC000176530287 1119893827 /nfs/dbraw/zinc/89/38/27/1119893827.db2.gz NOUUWOHEZIHOHF-KRWDZBQOSA-N 0 1 360.369 4.342 20 30 FIEDMN N#C[C@@H](C(=O)c1cc(F)cc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000465417446 1119973537 /nfs/dbraw/zinc/97/35/37/1119973537.db2.gz NYHJXYBSZIPQAZ-AWEZNQCLSA-N 0 1 357.797 4.488 20 30 FIEDMN N#CC(C(=O)c1cc(F)cc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000465417446 1119973539 /nfs/dbraw/zinc/97/35/39/1119973539.db2.gz NYHJXYBSZIPQAZ-AWEZNQCLSA-N 0 1 357.797 4.488 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000191568538 1119984455 /nfs/dbraw/zinc/98/44/55/1119984455.db2.gz TVVCNISFOGLDGA-UHFFFAOYSA-N 0 1 360.435 4.248 20 30 FIEDMN Cn1cc(Cl)cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000193775216 1120190571 /nfs/dbraw/zinc/19/05/71/1120190571.db2.gz ZRUSLVZRBSFMGA-SNVBAGLBSA-N 0 1 350.230 4.432 20 30 FIEDMN Cn1cc(Cl)cc1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000193775216 1120190577 /nfs/dbraw/zinc/19/05/77/1120190577.db2.gz ZRUSLVZRBSFMGA-SNVBAGLBSA-N 0 1 350.230 4.432 20 30 FIEDMN Cc1ccc(C(=O)C=CC(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC001168469293 1120217257 /nfs/dbraw/zinc/21/72/57/1120217257.db2.gz KXYPNJKABFOUFR-ASCRHOAZSA-N 0 1 367.836 4.141 20 30 FIEDMN Cn1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000194181309 1120247357 /nfs/dbraw/zinc/24/73/57/1120247357.db2.gz MSZNKPFUOWVSQP-HNNXBMFYSA-N 0 1 358.426 4.187 20 30 FIEDMN C=CCC[C@H](C(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccccc1 ZINC000494907626 1120371542 /nfs/dbraw/zinc/37/15/42/1120371542.db2.gz ZXOFRBOCKKXNMU-LEWJYISDSA-N 0 1 354.469 4.295 20 30 FIEDMN COc1cc(CN=Nc2cnn(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000761866963 1120559678 /nfs/dbraw/zinc/55/96/78/1120559678.db2.gz UBQGWAGVQVVMOL-UHFFFAOYSA-N 0 1 370.840 4.107 20 30 FIEDMN CC(=NN=c1nc[nH]c2sccc21)c1sccc1Br ZINC000915049900 1120756554 /nfs/dbraw/zinc/75/65/54/1120756554.db2.gz WOVISYPACJGENB-UHFFFAOYSA-N 0 1 353.270 4.351 20 30 FIEDMN COc1ccc(O)c(/C=N\C[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000915113249 1120819597 /nfs/dbraw/zinc/81/95/97/1120819597.db2.gz SIJCIZNALAGKAL-CVHFWEDTSA-N 0 1 358.869 4.310 20 30 FIEDMN COc1cccc(O)c1/C=N/C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000915113315 1120821101 /nfs/dbraw/zinc/82/11/01/1120821101.db2.gz UNJSONBUIDJWOJ-MNOULKQQSA-N 0 1 358.869 4.310 20 30 FIEDMN C[C@H](c1ccc(F)cc1)N(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000915216259 1120872972 /nfs/dbraw/zinc/87/29/72/1120872972.db2.gz VONQESDKJNTPOB-KDOFPFPSSA-N 0 1 374.419 4.056 20 30 FIEDMN C#Cc1cccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000915339674 1120925671 /nfs/dbraw/zinc/92/56/71/1120925671.db2.gz CPXSBVOLYUUJKH-FQEVSTJZSA-N 0 1 367.880 4.280 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3cc(C#N)ccc3F)[nH]c2c1 ZINC000888354809 1121171851 /nfs/dbraw/zinc/17/18/51/1121171851.db2.gz DLXHRFPARSMHFV-SFHVURJKSA-N 0 1 363.396 4.251 20 30 FIEDMN Fc1cccc(Cl)c1C=NNc1ncnc2c1cnn2-c1ccccc1 ZINC000915963541 1121365218 /nfs/dbraw/zinc/36/52/18/1121365218.db2.gz CTAWXIXTHYOANM-UHFFFAOYSA-N 0 1 366.787 4.054 20 30 FIEDMN CC(C)c1ccc(/C=C/C(=O)c2ccc(O)c(CN3CCOCC3)c2)cc1 ZINC000916129950 1121419041 /nfs/dbraw/zinc/41/90/41/1121419041.db2.gz CTABRMJXPZZXPS-WEVVVXLNSA-N 0 1 365.473 4.244 20 30 FIEDMN CC(=O)N(c1nc(C=N[N-]c2cccc[nH+]2)cs1)c1ccc(C)c(C)c1 ZINC000916276314 1121462077 /nfs/dbraw/zinc/46/20/77/1121462077.db2.gz WSZONEYYOCOTNR-UHFFFAOYSA-N 0 1 365.462 4.286 20 30 FIEDMN c1ccc2c(c1)SCCC2N=Nc1ncnc2sc3c(c21)CCC3 ZINC000916312422 1121471576 /nfs/dbraw/zinc/47/15/76/1121471576.db2.gz WWHFNQIQUHMAAJ-UHFFFAOYSA-N 0 1 352.488 4.492 20 30 FIEDMN C[C@H](c1ccc2ccccc2c1)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000063577012 1121700948 /nfs/dbraw/zinc/70/09/48/1121700948.db2.gz JSVPNYHYPLAVMJ-MWTRTKDXSA-N 0 1 361.489 4.174 20 30 FIEDMN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753033 1121747498 /nfs/dbraw/zinc/74/74/98/1121747498.db2.gz VTOFOVSPOCDFTR-LBPRGKRZSA-N 0 1 360.335 4.255 20 30 FIEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000916884108 1121909449 /nfs/dbraw/zinc/90/94/49/1121909449.db2.gz SBKWEMQCLQVKHY-SUNKGSAMSA-N 0 1 372.774 4.356 20 30 FIEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000916897776 1121913173 /nfs/dbraw/zinc/91/31/73/1121913173.db2.gz STZVOBYCSGZPMV-UMVBOHGHSA-N 0 1 352.356 4.011 20 30 FIEDMN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000916895423 1121924231 /nfs/dbraw/zinc/92/42/31/1121924231.db2.gz JSZOLZXNAOMMAT-VQIMIIECSA-N 0 1 370.493 4.044 20 30 FIEDMN N#Cc1cccc(OCC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000917047024 1122014419 /nfs/dbraw/zinc/01/44/19/1122014419.db2.gz OSGFHDSUZNZBEP-CQSZACIVSA-N 0 1 367.817 4.077 20 30 FIEDMN CCCCC1CCC(C(=O)C(C#N)C(=O)NCc2ccc(OC)cc2)CC1 ZINC000917037071 1122017902 /nfs/dbraw/zinc/01/79/02/1122017902.db2.gz SWMLCDOAZXHBLP-OUNSHVDWSA-N 0 1 370.493 4.017 20 30 FIEDMN C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000154258032 1122018149 /nfs/dbraw/zinc/01/81/49/1122018149.db2.gz LRANRCMSKLBCDH-OAHLLOKOSA-N 0 1 351.406 4.050 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000154258032 1122018158 /nfs/dbraw/zinc/01/81/58/1122018158.db2.gz LRANRCMSKLBCDH-OAHLLOKOSA-N 0 1 351.406 4.050 20 30 FIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1ccc(-n2cccn2)cc1 ZINC000917146212 1122204552 /nfs/dbraw/zinc/20/45/52/1122204552.db2.gz VPALRMFDXVVJCN-RAXLEYEMSA-N 0 1 354.413 4.467 20 30 FIEDMN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(C)C ZINC000917167879 1122214020 /nfs/dbraw/zinc/21/40/20/1122214020.db2.gz GFKHJLKZBKQMMC-NRFANRHFSA-N 0 1 354.519 4.119 20 30 FIEDMN COC(=O)c1coc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000542693093 1122290036 /nfs/dbraw/zinc/29/00/36/1122290036.db2.gz HUCIXXOCAWQNIW-OAHLLOKOSA-N 0 1 360.413 4.456 20 30 FIEDMN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000056157018 1122296176 /nfs/dbraw/zinc/29/61/76/1122296176.db2.gz GHIPNJDBGSVBNJ-CVEARBPZSA-N 0 1 351.450 4.023 20 30 FIEDMN N#Cc1cccc(C2(NCC(=O)Nc3cccc(Cl)c3Cl)CC2)c1 ZINC000556509899 1122932430 /nfs/dbraw/zinc/93/24/30/1122932430.db2.gz FGFWHAFLBJMDPV-UHFFFAOYSA-N 0 1 360.244 4.082 20 30 FIEDMN N#CC(C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccccn1 ZINC000131971886 1123205594 /nfs/dbraw/zinc/20/55/94/1123205594.db2.gz YZOJPSCBAMHJGK-GFCCVEGCSA-N 0 1 366.833 4.166 20 30 FIEDMN N#C[C@@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccccn1 ZINC000131971886 1123205597 /nfs/dbraw/zinc/20/55/97/1123205597.db2.gz YZOJPSCBAMHJGK-GFCCVEGCSA-N 0 1 366.833 4.166 20 30 FIEDMN C=CCOc1ccc(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1Cl ZINC000557029216 1123323670 /nfs/dbraw/zinc/32/36/70/1123323670.db2.gz YNNBDDZROCGJCH-MRXNPFEDSA-N 0 1 372.900 4.280 20 30 FIEDMN CO[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1 ZINC000920142223 1123382772 /nfs/dbraw/zinc/38/27/72/1123382772.db2.gz TVMVSLQWEKPJGJ-FXAWDEMLSA-N 0 1 373.437 4.246 20 30 FIEDMN COc1cc(C#N)ccc1CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000499308350 1123426339 /nfs/dbraw/zinc/42/63/39/1123426339.db2.gz KRENPYGMWHBGCZ-FPLPWBNLSA-N 0 1 352.419 4.049 20 30 FIEDMN Cc1cc(C)cc(OCC(=O)C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000920269690 1123427727 /nfs/dbraw/zinc/42/77/27/1123427727.db2.gz XSHKYYYBDLSNHD-QGZVFWFLSA-N 0 1 363.442 4.077 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)C=Cc2cc(C)c(C)cc2C)n1 ZINC000920328330 1123444313 /nfs/dbraw/zinc/44/43/13/1123444313.db2.gz RGBSHQTXCZDPJC-WLMCBFPDSA-N 0 1 368.458 4.135 20 30 FIEDMN Cc1ccc2c(C)cc(=NN=Cc3cn(C)nc3-c3cccnc3)[nH]c2c1C ZINC000920368055 1123448264 /nfs/dbraw/zinc/44/82/64/1123448264.db2.gz FWHWTXBYICIJJX-UHFFFAOYSA-N 0 1 370.460 4.402 20 30 FIEDMN Cc1cccc(C)c1OC[C@@H](O)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000920386504 1123450836 /nfs/dbraw/zinc/45/08/36/1123450836.db2.gz ATQBMHSNRKLACY-SJTXTDJHSA-N 0 1 368.260 4.175 20 30 FIEDMN CCCOCC(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000920875976 1123532819 /nfs/dbraw/zinc/53/28/19/1123532819.db2.gz YZAAHGAEBPPZNO-FYMRZPMTSA-N 0 1 358.507 4.214 20 30 FIEDMN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000609984977 1123907423 /nfs/dbraw/zinc/90/74/23/1123907423.db2.gz HXRLOYIHTRASDD-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3SCCc4ccccc43)n2)cc1 ZINC000080206796 1123958208 /nfs/dbraw/zinc/95/82/08/1123958208.db2.gz MRLFAMNNKCJDNJ-INIZCTEOSA-N 0 1 350.447 4.399 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(NC(=O)C3CC3)c2)n1 ZINC000080455410 1123966202 /nfs/dbraw/zinc/96/62/02/1123966202.db2.gz DUQHNSYPVQIQJL-OAHLLOKOSA-N 0 1 353.447 4.105 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(NC(=O)C3CC3)c2)n1 ZINC000080455408 1123966341 /nfs/dbraw/zinc/96/63/41/1123966341.db2.gz DUQHNSYPVQIQJL-HNNXBMFYSA-N 0 1 353.447 4.105 20 30 FIEDMN CC(C)C(=O)Nc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080452796 1123966397 /nfs/dbraw/zinc/96/63/97/1123966397.db2.gz JIARMGSUABLTBP-OAHLLOKOSA-N 0 1 355.463 4.351 20 30 FIEDMN CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1 ZINC000080452796 1123966399 /nfs/dbraw/zinc/96/63/99/1123966399.db2.gz JIARMGSUABLTBP-OAHLLOKOSA-N 0 1 355.463 4.351 20 30 FIEDMN CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000067895700 1123983035 /nfs/dbraw/zinc/98/30/35/1123983035.db2.gz CRLNIUMAEBNZKI-SECBINFHSA-N 0 1 369.229 4.117 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000067895700 1123983036 /nfs/dbraw/zinc/98/30/36/1123983036.db2.gz CRLNIUMAEBNZKI-SECBINFHSA-N 0 1 369.229 4.117 20 30 FIEDMN N#Cc1ccc(C[N@H+](Cc2cccc(Br)c2[O-])C2CC2)cc1 ZINC000180029889 1124193020 /nfs/dbraw/zinc/19/30/20/1124193020.db2.gz PGYNKMGQJPSLCJ-UHFFFAOYSA-N 0 1 357.251 4.191 20 30 FIEDMN N#Cc1ccc(C(F)(F)F)nc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000301291534 1124211872 /nfs/dbraw/zinc/21/18/72/1124211872.db2.gz NRDIIQYVKVHDSF-CQSZACIVSA-N 0 1 364.371 4.204 20 30 FIEDMN N#Cc1ccc(CN2CCCN(c3ncc(-c4ccccc4)s3)CC2)cc1 ZINC000301446905 1124230991 /nfs/dbraw/zinc/23/09/91/1124230991.db2.gz QIROUNXGFQLBNW-UHFFFAOYSA-N 0 1 374.513 4.394 20 30 FIEDMN CC(C)(C)N1CC[C@H](Nc2ccc(C#N)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302160365 1124290390 /nfs/dbraw/zinc/29/03/90/1124290390.db2.gz JQGRYDBAEDSJMI-FUHWJXTLSA-N 0 1 373.863 4.167 20 30 FIEDMN CN(C)Cc1ccc(CNc2cc(C#N)ccc2C(F)(F)F)cc1F ZINC000302356536 1124304070 /nfs/dbraw/zinc/30/40/70/1124304070.db2.gz DWLDOUWAZLCHAH-UHFFFAOYSA-N 0 1 351.347 4.390 20 30 FIEDMN CCS[C@H]1CC[C@@H](N(C)Cc2ccc(Br)cc2C#N)C1 ZINC000554238990 1124310943 /nfs/dbraw/zinc/31/09/43/1124310943.db2.gz ZCZSYUFRXZYIFP-CVEARBPZSA-N 0 1 353.329 4.427 20 30 FIEDMN Cc1ccc(NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)nc1C#N ZINC000302676383 1124336917 /nfs/dbraw/zinc/33/69/17/1124336917.db2.gz UPOZHIFCDJTXFI-AUUYWEPGSA-N 0 1 358.848 4.159 20 30 FIEDMN N#CC(C(=O)Cc1cccc(F)c1F)c1nc2ccccc2n1C(F)F ZINC000181015035 1124506313 /nfs/dbraw/zinc/50/63/13/1124506313.db2.gz YBTOKTJAMQWJGI-NSHDSACASA-N 0 1 361.298 4.129 20 30 FIEDMN C=CCC[C@H](NCC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)c1ccccc1 ZINC001168657404 1124532658 /nfs/dbraw/zinc/53/26/58/1124532658.db2.gz NZBOGQKMRXGOKG-SFHVURJKSA-N 0 1 368.477 4.288 20 30 FIEDMN C=CCc1cc(CNCc2cnc(-c3ccco3)s2)cc(OC)c1OC ZINC000785456196 1124767826 /nfs/dbraw/zinc/76/78/26/1124767826.db2.gz TYHFKTUNMNWMTC-UHFFFAOYSA-N 0 1 370.474 4.439 20 30 FIEDMN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNCc2csc(C#N)c2)cc1 ZINC000921851238 1124831526 /nfs/dbraw/zinc/83/15/26/1124831526.db2.gz MFJCNDDEXWHTQQ-CQSZACIVSA-N 0 1 371.506 4.495 20 30 FIEDMN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249128475 1124846189 /nfs/dbraw/zinc/84/61/89/1124846189.db2.gz VJLIRDXXJXYMMF-UCLAIMLFSA-N 0 1 352.881 4.190 20 30 FIEDMN CC[C@H](C)n1ncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1C1CC1 ZINC000089964396 1124972596 /nfs/dbraw/zinc/97/25/96/1124972596.db2.gz XABPWXQCQAAHQP-ZFWWWQNUSA-N 0 1 361.449 4.108 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181580644 1125030709 /nfs/dbraw/zinc/03/07/09/1125030709.db2.gz XBXUCGLAFXBGCJ-CQSZACIVSA-N 0 1 354.425 4.346 20 30 FIEDMN Cc1nc2c(s1)[C@@H](NCc1cc(C#N)ccc1Br)CCC2 ZINC000921979389 1125133965 /nfs/dbraw/zinc/13/39/65/1125133965.db2.gz DVKXCBDSRNJFLN-AWEZNQCLSA-N 0 1 362.296 4.253 20 30 FIEDMN N#CC(C(=O)c1ccccc1OC1CC1)c1nc2cc(F)ccc2s1 ZINC000672583916 1125184835 /nfs/dbraw/zinc/18/48/35/1125184835.db2.gz MYLUNWQGIAYHGW-AWEZNQCLSA-N 0 1 352.390 4.467 20 30 FIEDMN N#C[C@@H](C(=O)c1ccccc1OC1CC1)c1nc2cc(F)ccc2s1 ZINC000672583916 1125184840 /nfs/dbraw/zinc/18/48/40/1125184840.db2.gz MYLUNWQGIAYHGW-AWEZNQCLSA-N 0 1 352.390 4.467 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@@H](N[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000618570112 1125208666 /nfs/dbraw/zinc/20/86/66/1125208666.db2.gz NEGLCFUOSNACIF-YOEHRIQHSA-N 0 1 352.434 4.365 20 30 FIEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1cc(Br)cc2c1OCC2 ZINC000618741115 1125258668 /nfs/dbraw/zinc/25/86/68/1125258668.db2.gz CODLBKSRDGZEGZ-GOSISDBHSA-N 0 1 369.262 4.033 20 30 FIEDMN COc1c(Br)cccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618741647 1125258794 /nfs/dbraw/zinc/25/87/94/1125258794.db2.gz JAIAXPKTQWQLIH-KRWDZBQOSA-N 0 1 357.251 4.106 20 30 FIEDMN N#CC1(c2ccccn2)CCN(Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000602654642 568005817 /nfs/dbraw/zinc/00/58/17/568005817.db2.gz WIZKALQWVCOWHL-UHFFFAOYSA-N 0 1 359.395 4.244 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602925347 568018338 /nfs/dbraw/zinc/01/83/38/568018338.db2.gz MTCVBVIJDCAWHX-GOSISDBHSA-N 0 1 362.395 4.330 20 30 FIEDMN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)c(F)c1 ZINC000541882234 568061192 /nfs/dbraw/zinc/06/11/92/568061192.db2.gz SSRCOXJAOTXWHD-BFUOFWGJSA-N 0 1 371.843 4.197 20 30 FIEDMN Cc1c2cc(F)ccc2sc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000065880109 568063542 /nfs/dbraw/zinc/06/35/42/568063542.db2.gz CQPXJUKIYCATMP-UHFFFAOYSA-N 0 1 353.382 4.165 20 30 FIEDMN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccnc1OCC(F)F ZINC000481648356 568080143 /nfs/dbraw/zinc/08/01/43/568080143.db2.gz XPUQGVAFPBPKRN-SFHVURJKSA-N 0 1 357.404 4.154 20 30 FIEDMN COc1cc(OC)c(CN[C@H]2CCCCc3cc(C#N)ccc32)c(OC)c1 ZINC000481914092 568182082 /nfs/dbraw/zinc/18/20/82/568182082.db2.gz JSBOEGSMXJHPRK-FQEVSTJZSA-N 0 1 366.461 4.141 20 30 FIEDMN N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000604561001 568311539 /nfs/dbraw/zinc/31/15/39/568311539.db2.gz LNWLEADBNCRPPU-JOCHJYFZSA-N 0 1 361.489 4.030 20 30 FIEDMN N#CCCN(C(=O)CN1CCCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000604561001 568311540 /nfs/dbraw/zinc/31/15/40/568311540.db2.gz LNWLEADBNCRPPU-JOCHJYFZSA-N 0 1 361.489 4.030 20 30 FIEDMN COc1ccc(CN2CCCC[C@@H]2c2cccn2C)cc1OCCCC#N ZINC000093845541 1125533606 /nfs/dbraw/zinc/53/36/06/1125533606.db2.gz XPSCIQXVYWXGFK-HXUWFJFHSA-N 0 1 367.493 4.443 20 30 FIEDMN CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000619320099 1125561381 /nfs/dbraw/zinc/56/13/81/1125561381.db2.gz KCENLTTVELMZJW-QGZVFWFLSA-N 0 1 373.888 4.008 20 30 FIEDMN Cc1cc(C#N)ccc1CN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000619516714 1125609798 /nfs/dbraw/zinc/60/97/98/1125609798.db2.gz DZRQPKRRDXLKOG-KRWDZBQOSA-N 0 1 368.786 4.362 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000619724912 1125670892 /nfs/dbraw/zinc/67/08/92/1125670892.db2.gz WFMKVWJLTGMXDH-GOTSBHOMSA-N 0 1 369.468 4.128 20 30 FIEDMN COc1c(Br)cccc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619749032 1125691553 /nfs/dbraw/zinc/69/15/53/1125691553.db2.gz XHVIXAQKEPEUAC-UHFFFAOYSA-N 0 1 365.658 4.273 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1ccsc1 ZINC000619782664 1125694975 /nfs/dbraw/zinc/69/49/75/1125694975.db2.gz JDQLOIHBINFUGR-KBPBESRZSA-N 0 1 359.520 4.289 20 30 FIEDMN C=CCOc1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1OC ZINC000619772551 1125700955 /nfs/dbraw/zinc/70/09/55/1125700955.db2.gz NZTYEIZGOIPJIG-GOSISDBHSA-N 0 1 357.425 4.403 20 30 FIEDMN COc1cccc([C@H]2[C@H](Nc3ncc(C#N)cc3Cl)CCN2C2CC2)c1 ZINC000182980897 1125709268 /nfs/dbraw/zinc/70/92/68/1125709268.db2.gz GJDGUJRFFUVJPS-MOPGFXCFSA-N 0 1 368.868 4.005 20 30 FIEDMN N#Cc1ccc(O[C@H]2CCN(Cc3c(Cl)oc4ccccc43)C2)nc1 ZINC000430182749 1079760189 /nfs/dbraw/zinc/76/01/89/1079760189.db2.gz XAPSTLSALJSRLJ-AWEZNQCLSA-N 0 1 353.809 4.006 20 30 FIEDMN C[C@@]1(c2ccccc2)CCCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000510090491 1079957854 /nfs/dbraw/zinc/95/78/54/1079957854.db2.gz ZBEFLEOYVZQSSD-HXUWFJFHSA-N 0 1 353.491 4.002 20 30 FIEDMN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)s1 ZINC000535848755 1080171060 /nfs/dbraw/zinc/17/10/60/1080171060.db2.gz VMJANHZBCXATNL-IIBYNOLFSA-N 0 1 368.550 4.056 20 30 FIEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccccc2OC(F)(F)F)n1 ZINC000255046156 1080519903 /nfs/dbraw/zinc/51/99/03/1080519903.db2.gz PEESGWZOSFICRX-DGMVEKRQSA-N 0 1 352.337 4.240 20 30 FIEDMN Cc1ccccc1CN1CCN(c2c(C#N)cnc3c(C)cccc32)CC1 ZINC000610245467 1080561597 /nfs/dbraw/zinc/56/15/97/1080561597.db2.gz BLPRFBHZNMWALE-UHFFFAOYSA-N 0 1 356.473 4.046 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC([O-])=[NH+][C@@H]1C[C@H]1c1cccc(Cl)c1)CC2 ZINC000328598991 1080660715 /nfs/dbraw/zinc/66/07/15/1080660715.db2.gz BOZDPYRZFJDJGX-FGTMMUONSA-N 0 1 372.900 4.034 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)CC2 ZINC000328598991 1080660719 /nfs/dbraw/zinc/66/07/19/1080660719.db2.gz BOZDPYRZFJDJGX-FGTMMUONSA-N 0 1 372.900 4.034 20 30 FIEDMN COc1ccc(CN[C@H](C)c2ccc(Br)s2)cc1C#N ZINC000748098667 1080684386 /nfs/dbraw/zinc/68/43/86/1080684386.db2.gz LHNQCQQRFGBXTA-SNVBAGLBSA-N 0 1 351.269 4.242 20 30 FIEDMN N#CC1CCN(Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC1 ZINC000123658785 1081395512 /nfs/dbraw/zinc/39/55/12/1081395512.db2.gz OBNBAIYZHZUCOA-AWEZNQCLSA-N 0 1 366.305 4.294 20 30 FIEDMN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000471497138 1081484985 /nfs/dbraw/zinc/48/49/85/1081484985.db2.gz UUEHANCBZLTKKJ-GOSISDBHSA-N 0 1 357.523 4.139 20 30 FIEDMN C[C@@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cccc(C#N)c1 ZINC000610346108 1081501336 /nfs/dbraw/zinc/50/13/36/1081501336.db2.gz LUFDJQQKGWPVHT-ACJLOTCBSA-N 0 1 373.378 4.033 20 30 FIEDMN C=CCOc1cccc(CNC2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000124820177 1081826627 /nfs/dbraw/zinc/82/66/27/1081826627.db2.gz XIUONBPTYKYYLR-UHFFFAOYSA-N 0 1 359.416 4.325 20 30 FIEDMN CC(C)Oc1ccccc1[C@H](C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000537022735 1081982283 /nfs/dbraw/zinc/98/22/83/1081982283.db2.gz WWVOFQIYIOMPAG-AWEZNQCLSA-N 0 1 371.868 4.288 20 30 FIEDMN FC1(F)CC(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000932942734 1082070486 /nfs/dbraw/zinc/07/04/86/1082070486.db2.gz IMRMJKJMACPJRQ-OCAPTIKFSA-N 0 1 373.234 4.135 20 30 FIEDMN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000175829844 1082113912 /nfs/dbraw/zinc/11/39/12/1082113912.db2.gz GNKQHANDUJHNRS-UHFFFAOYSA-N 0 1 371.425 4.233 20 30 FIEDMN Cc1ccccc1C[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001167433389 1082127583 /nfs/dbraw/zinc/12/75/83/1082127583.db2.gz CLWRGKDOMAMYJT-IBGZPJMESA-N 0 1 367.880 4.166 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000510395680 1082490160 /nfs/dbraw/zinc/49/01/60/1082490160.db2.gz JTTFXAJQBCXQJD-IBGZPJMESA-N 0 1 369.390 4.354 20 30 FIEDMN CC(=O)Nc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)ccc1F ZINC000430579297 1082514484 /nfs/dbraw/zinc/51/44/84/1082514484.db2.gz CCAPVECYNVDHDS-LBPRGKRZSA-N 0 1 359.426 4.028 20 30 FIEDMN CC(=O)Nc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)ccc1F ZINC000430579297 1082514490 /nfs/dbraw/zinc/51/44/90/1082514490.db2.gz CCAPVECYNVDHDS-LBPRGKRZSA-N 0 1 359.426 4.028 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cncc(Br)c2)s1 ZINC000430608867 1082637684 /nfs/dbraw/zinc/63/76/84/1082637684.db2.gz FMYCAMDNXYQBNZ-NSHDSACASA-N 0 1 364.268 4.088 20 30 FIEDMN CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cncc(Br)c2)s1 ZINC000430608867 1082637690 /nfs/dbraw/zinc/63/76/90/1082637690.db2.gz FMYCAMDNXYQBNZ-NSHDSACASA-N 0 1 364.268 4.088 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](c2ccc(F)cc2)C(C)(C)C)c(C#N)c1C ZINC000097079423 1082708932 /nfs/dbraw/zinc/70/89/32/1082708932.db2.gz SYSORXUQNHTKRD-GOSISDBHSA-N 0 1 357.429 4.223 20 30 FIEDMN CN(CCC(=O)Nc1ccccc1C#N)Cc1ccc(Cl)cc1Cl ZINC000023038367 1082723203 /nfs/dbraw/zinc/72/32/03/1082723203.db2.gz PAZGGLJYVWCVGN-UHFFFAOYSA-N 0 1 362.260 4.326 20 30 FIEDMN C=CCC[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccco1 ZINC000276433888 1082763963 /nfs/dbraw/zinc/76/39/63/1082763963.db2.gz JICNDVPICDNPRL-QUCCMNQESA-N 0 1 354.450 4.194 20 30 FIEDMN Cc1cc(N(CCC#N)C(=O)CN2CCC3(CCCC3)C2)ccc1Cl ZINC001167487914 1082982940 /nfs/dbraw/zinc/98/29/40/1082982940.db2.gz UFXHELNYPVCCPN-UHFFFAOYSA-N 0 1 359.901 4.161 20 30 FIEDMN C=C(C)[C@@H](CC(=O)Nc1cc(Br)cc(Cl)c1O)OCC ZINC000535656949 1083285719 /nfs/dbraw/zinc/28/57/19/1083285719.db2.gz WFUIXIYOPXQKMV-GFCCVEGCSA-N 0 1 362.651 4.118 20 30 FIEDMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C=Cc1ccc(Cl)nc1 ZINC000255717851 1083437133 /nfs/dbraw/zinc/43/71/33/1083437133.db2.gz HKQUBSMEGOENDY-DDJMYBDESA-N 0 1 363.804 4.130 20 30 FIEDMN C[C@H](c1ccc(Cl)cc1)N1CCN(CCc2ccc(C#N)cc2)CC1 ZINC001167495700 1083456201 /nfs/dbraw/zinc/45/62/01/1083456201.db2.gz HPOSPYOTLXSQAA-QGZVFWFLSA-N 0 1 353.897 4.133 20 30 FIEDMN C=CCOc1ccc(CN2CCC[C@@H](CNC(=O)CCC)C2)cc1Cl ZINC000092707452 1083473655 /nfs/dbraw/zinc/47/36/55/1083473655.db2.gz FDXRZDDQGZZMJQ-KRWDZBQOSA-N 0 1 364.917 4.033 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179690985 1083599256 /nfs/dbraw/zinc/59/92/56/1083599256.db2.gz MAZHOUPAXIMYCV-QGZVFWFLSA-N 0 1 373.456 4.392 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@](C)(C#N)C2)c1 ZINC000612236521 1083629413 /nfs/dbraw/zinc/62/94/13/1083629413.db2.gz IDYPNUFDEGLDIG-QHCPKHFHSA-N 0 1 361.489 4.084 20 30 FIEDMN CC[C@H](C)CCCCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000612270528 1083670492 /nfs/dbraw/zinc/67/04/92/1083670492.db2.gz IBYHBTFSRHZWFT-IBGZPJMESA-N 0 1 355.526 4.199 20 30 FIEDMN CC(C)(CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)CC(F)F ZINC000892498266 1083828406 /nfs/dbraw/zinc/82/84/06/1083828406.db2.gz HBQOLXPSCKRSTH-JTQLQIEISA-N 0 1 360.763 4.198 20 30 FIEDMN CC(C)(C)c1nc2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2[nH]1 ZINC000176242640 1083889325 /nfs/dbraw/zinc/88/93/25/1083889325.db2.gz QTSAZIWWXIDLTB-UHFFFAOYSA-N 0 1 354.360 4.263 20 30 FIEDMN COc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1Br ZINC000728438241 1084143917 /nfs/dbraw/zinc/14/39/17/1084143917.db2.gz CIUNBFZKCQPHQN-GORDUTHDSA-N 0 1 351.171 4.199 20 30 FIEDMN N#Cc1cccc(COc2cccc(CN[C@@H](CO)c3ccsc3)c2)c1 ZINC000472078775 1084252754 /nfs/dbraw/zinc/25/27/54/1084252754.db2.gz PVPISYAZIFQIBH-NRFANRHFSA-N 0 1 364.470 4.022 20 30 FIEDMN CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC001167516729 1084427705 /nfs/dbraw/zinc/42/77/05/1084427705.db2.gz ISLSBTRCEOAFLO-GOSISDBHSA-N 0 1 369.534 4.437 20 30 FIEDMN N#CCC[C@@H](C#N)CNCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000066484191 1084544305 /nfs/dbraw/zinc/54/43/05/1084544305.db2.gz PWEFTDFDEQLFIA-AWEZNQCLSA-N 0 1 366.292 4.075 20 30 FIEDMN C[C@H](CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000511475389 1084557316 /nfs/dbraw/zinc/55/73/16/1084557316.db2.gz OLYSCGYRJRQCRR-LJQANCHMSA-N 0 1 367.537 4.199 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000173266731 1084595352 /nfs/dbraw/zinc/59/53/52/1084595352.db2.gz LFTCGIYHIKTQHJ-SJORKVTESA-N 0 1 361.445 4.419 20 30 FIEDMN N#C[C@H](C(=O)c1ncsc1C1CC1)c1nc2ccccc2n1C(F)F ZINC000892538865 1084611033 /nfs/dbraw/zinc/61/10/33/1084611033.db2.gz PMPCLOGKRHDRJG-SNVBAGLBSA-N 0 1 358.373 4.255 20 30 FIEDMN N#CC(C(=O)c1ncsc1C1CC1)c1nc2ccccc2n1C(F)F ZINC000892538865 1084611040 /nfs/dbraw/zinc/61/10/40/1084611040.db2.gz PMPCLOGKRHDRJG-SNVBAGLBSA-N 0 1 358.373 4.255 20 30 FIEDMN N#CC(C(=O)CC1CCSCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000134976380 1084686376 /nfs/dbraw/zinc/68/63/76/1084686376.db2.gz WFADEPPHFRSXSC-LBPRGKRZSA-N 0 1 371.289 4.174 20 30 FIEDMN N#CC(C(=O)CC1CCSCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000134976617 1084689507 /nfs/dbraw/zinc/68/95/07/1084689507.db2.gz BIZQEKDFYLJHRT-AWEZNQCLSA-N 0 1 371.289 4.174 20 30 FIEDMN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000796660926 1084702182 /nfs/dbraw/zinc/70/21/82/1084702182.db2.gz GNSRXYFAOGIGMS-WBHUJUFNSA-N 0 1 358.463 4.056 20 30 FIEDMN N#CC(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2s1 ZINC000119969814 1084749618 /nfs/dbraw/zinc/74/96/18/1084749618.db2.gz KEEFXGIBRSASTN-LBPRGKRZSA-N 0 1 357.778 4.348 20 30 FIEDMN N#C[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2s1 ZINC000119969814 1084749626 /nfs/dbraw/zinc/74/96/26/1084749626.db2.gz KEEFXGIBRSASTN-LBPRGKRZSA-N 0 1 357.778 4.348 20 30 FIEDMN N#CC(C(=O)C=Cc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)cs1 ZINC000051533227 1084785901 /nfs/dbraw/zinc/78/59/01/1084785901.db2.gz VSWKRHYNFPXYQR-BVBGJJFLSA-N 0 1 374.421 4.428 20 30 FIEDMN Cc1c(F)cccc1S(=O)(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000174717427 1084819430 /nfs/dbraw/zinc/81/94/30/1084819430.db2.gz CHUUYWQAGZHKBY-GFCCVEGCSA-N 0 1 364.467 4.329 20 30 FIEDMN Cc1cccc2nc(CCC(=O)Nc3cccc(OCCCC#N)c3)[nH]c21 ZINC000175679166 1084982495 /nfs/dbraw/zinc/98/24/95/1084982495.db2.gz UGIPYAIDYXJYPX-UHFFFAOYSA-N 0 1 362.433 4.125 20 30 FIEDMN N#Cc1ccc(CN2CCC(c3cccc(Br)c3)CC2)nc1 ZINC000563355550 1085002063 /nfs/dbraw/zinc/00/20/63/1085002063.db2.gz SUXCZJRLCDXHKJ-UHFFFAOYSA-N 0 1 356.267 4.095 20 30 FIEDMN N#CC(C(=O)c1cccc(OCC(F)(F)F)c1)c1nc2ccccc2o1 ZINC000431414489 1085013201 /nfs/dbraw/zinc/01/32/01/1085013201.db2.gz MXXAZXWHMCPEPR-ZDUSSCGKSA-N 0 1 360.291 4.259 20 30 FIEDMN N#Cc1cccc(COc2cccc(CN3CCC[C@H](OC(F)F)C3)c2)c1 ZINC000611609561 1085027832 /nfs/dbraw/zinc/02/78/32/1085027832.db2.gz OVZODMLIHHAXSU-FQEVSTJZSA-N 0 1 372.415 4.341 20 30 FIEDMN COc1ccc(-c2n[nH]c(S[C@@H](C#N)C3CCCCC3)n2)c(OC)c1 ZINC000115187560 1085255827 /nfs/dbraw/zinc/25/58/27/1085255827.db2.gz NTTWXARJDZOQKA-INIZCTEOSA-N 0 1 358.467 4.053 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cnn(CC2CCC2)c1 ZINC000934561382 1085276189 /nfs/dbraw/zinc/27/61/89/1085276189.db2.gz KDOMCLAWRHDRBP-CYBMUJFWSA-N 0 1 362.399 4.424 20 30 FIEDMN Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)c(C#N)c1C ZINC000128072441 1085362643 /nfs/dbraw/zinc/36/26/43/1085362643.db2.gz PXSQNHTULXBEBU-OAHLLOKOSA-N 0 1 351.450 4.007 20 30 FIEDMN Cc1oc(NC(=O)CN(Cc2ccccc2)[C@H](C)C2CC2)c(C#N)c1C ZINC000128072441 1085362648 /nfs/dbraw/zinc/36/26/48/1085362648.db2.gz PXSQNHTULXBEBU-OAHLLOKOSA-N 0 1 351.450 4.007 20 30 FIEDMN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000661114381 1085395606 /nfs/dbraw/zinc/39/56/06/1085395606.db2.gz GEVJMDBAHKHBSS-HOCLYGCPSA-N 0 1 356.495 4.015 20 30 FIEDMN C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000661380654 1085540354 /nfs/dbraw/zinc/54/03/54/1085540354.db2.gz HZIFTMODHZCZKB-OALUTQOASA-N 0 1 366.509 4.104 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1C#N ZINC000045820579 1085601625 /nfs/dbraw/zinc/60/16/25/1085601625.db2.gz RXQRFSMZQPBBMF-QWHCGFSZSA-N 0 1 361.367 4.255 20 30 FIEDMN FC(F)(F)c1ccc(C#CCNCc2cnn(-c3ccccc3)c2)cc1 ZINC000237870988 1085947712 /nfs/dbraw/zinc/94/77/12/1085947712.db2.gz HNYZUPYGLKBMJD-UHFFFAOYSA-N 0 1 355.363 4.032 20 30 FIEDMN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ccccn3)c12 ZINC000049459020 1086024469 /nfs/dbraw/zinc/02/44/69/1086024469.db2.gz HZCRRYVZBJDGSF-INIZCTEOSA-N 0 1 373.460 4.257 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(OCC(F)(F)F)c3)[nH]c21 ZINC000432298646 1086074882 /nfs/dbraw/zinc/07/48/82/1086074882.db2.gz YHSZBELHBOOEEL-CQSZACIVSA-N 0 1 373.334 4.303 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000662084973 1086107807 /nfs/dbraw/zinc/10/78/07/1086107807.db2.gz BQBOCXLWHJKXBO-HDICACEKSA-N 0 1 367.518 4.316 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)C=Cc4ccccc4C#N)C3)[nH]c2c1 ZINC000255567684 1086157344 /nfs/dbraw/zinc/15/73/44/1086157344.db2.gz NMAVWPYFLDIXFL-ZMOVQZPESA-N 0 1 370.456 4.162 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000218872556 1086358274 /nfs/dbraw/zinc/35/82/74/1086358274.db2.gz QEYRARDXEKDVEJ-CVEARBPZSA-N 0 1 358.482 4.295 20 30 FIEDMN C=CCN(Cc1c[nH]nc1-c1c(F)cccc1F)Cc1cccc(C#N)c1 ZINC000512050003 1086708997 /nfs/dbraw/zinc/70/89/97/1086708997.db2.gz BFAVQCARIKQQHS-UHFFFAOYSA-N 0 1 364.399 4.415 20 30 FIEDMN N#CC(C(=O)c1cncc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 ZINC000685146091 1086742948 /nfs/dbraw/zinc/74/29/48/1086742948.db2.gz JCQAINQIVCHPBQ-NSHDSACASA-N 0 1 365.311 4.339 20 30 FIEDMN N#C[C@@H](C(=O)c1csc(CCc2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000107408018 1086798868 /nfs/dbraw/zinc/79/88/68/1086798868.db2.gz OIYNOYMVCKUFNC-HNNXBMFYSA-N 0 1 372.453 4.295 20 30 FIEDMN N#CC(C(=O)c1csc(CCc2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000107408018 1086798872 /nfs/dbraw/zinc/79/88/72/1086798872.db2.gz OIYNOYMVCKUFNC-HNNXBMFYSA-N 0 1 372.453 4.295 20 30 FIEDMN C=C(C)CN(CCOc1ccc(F)cc1Cl)Cc1ccc(CO)o1 ZINC000512165694 1086862429 /nfs/dbraw/zinc/86/24/29/1086862429.db2.gz HOFCBPZJPBOEPA-UHFFFAOYSA-N 0 1 353.821 4.022 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C)C[C@H](C)C1 ZINC000246757074 1086952846 /nfs/dbraw/zinc/95/28/46/1086952846.db2.gz QNYKDLIKQPZGBL-YESZJQIVSA-N 0 1 359.539 4.245 20 30 FIEDMN Cc1ccc2c(c1C)OC[C@@H]2NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000536147750 1086996913 /nfs/dbraw/zinc/99/69/13/1086996913.db2.gz ZOPTZCMUABDHJP-NRFANRHFSA-N 0 1 372.472 4.304 20 30 FIEDMN CN(C(=O)CNC(c1ccccc1)c1ccccc1)C1(C#N)CCCCC1 ZINC000052635966 1087004274 /nfs/dbraw/zinc/00/42/74/1087004274.db2.gz AXGRTYTWMDSSEZ-UHFFFAOYSA-N 0 1 361.489 4.050 20 30 FIEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000584039486 1087131421 /nfs/dbraw/zinc/13/14/21/1087131421.db2.gz YBURRYPLNQQXKX-FHLIZLRMSA-N 0 1 373.884 4.251 20 30 FIEDMN Cc1nsc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1C#N ZINC000584427884 1087383246 /nfs/dbraw/zinc/38/32/46/1087383246.db2.gz URXRMIXVGMDRHN-AWEZNQCLSA-N 0 1 366.412 4.028 20 30 FIEDMN Cc1nsc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1C#N ZINC000584427884 1087383248 /nfs/dbraw/zinc/38/32/48/1087383248.db2.gz URXRMIXVGMDRHN-AWEZNQCLSA-N 0 1 366.412 4.028 20 30 FIEDMN CCCc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2OC(C)C)cc1 ZINC000511272257 1087536787 /nfs/dbraw/zinc/53/67/87/1087536787.db2.gz OCMVEPNRXMGGII-UHFFFAOYSA-N 0 1 358.463 4.099 20 30 FIEDMN CSc1cccc(F)c1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000375773883 1087554218 /nfs/dbraw/zinc/55/42/18/1087554218.db2.gz ZWHBJGCPPNLACX-UHFFFAOYSA-N 0 1 366.465 4.110 20 30 FIEDMN Cc1nn2c(CN[C@@H]3CCCc4cc(C#N)ccc43)c(C(C)C)nc2s1 ZINC000584459375 1087566201 /nfs/dbraw/zinc/56/62/01/1087566201.db2.gz CKOZOJVYKLPPNI-QGZVFWFLSA-N 0 1 365.506 4.262 20 30 FIEDMN N#Cc1ccc(CN2CCC(c3noc4cc(F)ccc43)CC2)cc1F ZINC000329859056 1087599142 /nfs/dbraw/zinc/59/91/42/1087599142.db2.gz WLLYBJIWMDJYJZ-UHFFFAOYSA-N 0 1 353.372 4.357 20 30 FIEDMN Cc1cc(C)n(-c2ccc(C(=O)C(C#N)c3nc(C4CC4)cs3)cc2)n1 ZINC000647371656 1087782977 /nfs/dbraw/zinc/78/29/77/1087782977.db2.gz VSGVICUHYNPLLK-QGZVFWFLSA-N 0 1 362.458 4.313 20 30 FIEDMN N#Cc1ccc(OCCN[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180564263 1087963850 /nfs/dbraw/zinc/96/38/50/1087963850.db2.gz YZGPBFXEQHBWMQ-KRWDZBQOSA-N 0 1 352.331 4.359 20 30 FIEDMN Cn1ncc(C2CC2)c1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000659049615 1087972526 /nfs/dbraw/zinc/97/25/26/1087972526.db2.gz ALGWLPJVKSCWPK-LLVKDONJSA-N 0 1 356.838 4.051 20 30 FIEDMN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000053528220 1088208680 /nfs/dbraw/zinc/20/86/80/1088208680.db2.gz JQEVDNQDDUYUHH-CQSZACIVSA-N 0 1 365.437 4.354 20 30 FIEDMN N#Cc1ccc(CN2CC[C@@H](Nc3ccccc3)C2)c(Br)c1 ZINC000181167530 1088262158 /nfs/dbraw/zinc/26/21/58/1088262158.db2.gz QUKBIODJBRFEIP-QGZVFWFLSA-N 0 1 356.267 4.007 20 30 FIEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000181300679 1088298779 /nfs/dbraw/zinc/29/87/79/1088298779.db2.gz DWHSJLUNZUMDDE-NEPJUHHUSA-N 0 1 350.388 4.346 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)Nc3ncc(-c4ccccc4)s3)[nH]c21 ZINC000505444123 1088853781 /nfs/dbraw/zinc/85/37/81/1088853781.db2.gz OYEAPTYSCDXNLW-AWEZNQCLSA-N 0 1 373.441 4.241 20 30 FIEDMN CCCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](CC)c1ccccc1 ZINC000514180764 1088866981 /nfs/dbraw/zinc/86/69/81/1088866981.db2.gz XKNJEPFNSOPVTA-QFIPXVFZSA-N 0 1 363.505 4.428 20 30 FIEDMN CCCCc1nc2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2[nH]1 ZINC000435062350 1089252054 /nfs/dbraw/zinc/25/20/54/1089252054.db2.gz ZEBRIQFSVCDZTM-UHFFFAOYSA-N 0 1 358.445 4.447 20 30 FIEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000514683874 1089336344 /nfs/dbraw/zinc/33/63/44/1089336344.db2.gz KRQSUZZEWAPJBY-HBMCJLEFSA-N 0 1 354.881 4.015 20 30 FIEDMN N#CC(C(=O)c1cnn(-c2ccccc2)c1)c1nc(-c2ccccc2)cs1 ZINC000122378369 1089342192 /nfs/dbraw/zinc/34/21/92/1089342192.db2.gz QTPPHGBLGYXUJI-SFHVURJKSA-N 0 1 370.437 4.486 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN1CCN(c2cncc3ccccc32)CC1 ZINC000472776865 1089422966 /nfs/dbraw/zinc/42/29/66/1089422966.db2.gz VSKDOVVDHCRYCN-UHFFFAOYSA-N 0 1 370.500 4.358 20 30 FIEDMN CCN(CC)[C@@H](C(=O)N[C@H](C#N)c1ccccc1Cl)c1ccccc1 ZINC000505637801 1089460882 /nfs/dbraw/zinc/46/08/82/1089460882.db2.gz SDWCUSLHBQSBKW-RTBURBONSA-N 0 1 355.869 4.104 20 30 FIEDMN CC(=Cc1ccc(OCc2ccc(C)cc2)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435336664 1089540950 /nfs/dbraw/zinc/54/09/50/1089540950.db2.gz PVQMJOWIZPTMAY-FOWTUZBSSA-N 0 1 371.440 4.398 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 ZINC000728711960 1089807660 /nfs/dbraw/zinc/80/76/60/1089807660.db2.gz PUYPSROBLFSSQU-NQERJWCQSA-N 0 1 354.425 4.126 20 30 FIEDMN CCN(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C[C@H](C)C#N ZINC000435678541 1089865456 /nfs/dbraw/zinc/86/54/56/1089865456.db2.gz QIQSLSHYBOWRNF-QGZVFWFLSA-N 0 1 351.450 4.289 20 30 FIEDMN C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000515290327 1089950772 /nfs/dbraw/zinc/95/07/72/1089950772.db2.gz KNERVEYFXVOWPL-HXUWFJFHSA-N 0 1 367.493 4.204 20 30 FIEDMN CCCN(Cc1c(C)nn(-c2ccccn2)c1C)Cc1ccc(C#N)cc1 ZINC000549410624 1090271382 /nfs/dbraw/zinc/27/13/82/1090271382.db2.gz FANISFVZPIZUCK-UHFFFAOYSA-N 0 1 359.477 4.168 20 30 FIEDMN COc1cccc(C2(F)CCN(Cc3ccc(C#N)cc3OC)CC2)c1 ZINC000500158015 1091071913 /nfs/dbraw/zinc/07/19/13/1091071913.db2.gz HSALRBAWMAMPII-UHFFFAOYSA-N 0 1 354.425 4.036 20 30 FIEDMN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)c(Br)c1 ZINC000418150029 1091083745 /nfs/dbraw/zinc/08/37/45/1091083745.db2.gz VQUGSGFNTDNWOZ-IBGZPJMESA-N 0 1 371.278 4.497 20 30 FIEDMN CC(C)c1ccc(SCC(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000053527936 1091121755 /nfs/dbraw/zinc/12/17/55/1091121755.db2.gz ZXHJYQHFRONULF-UHFFFAOYSA-N 0 1 353.451 4.370 20 30 FIEDMN Cc1csc(NC2CCN(Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000473067082 1091618295 /nfs/dbraw/zinc/61/82/95/1091618295.db2.gz XLNDLKJMYUWEKR-UHFFFAOYSA-N 0 1 370.522 4.211 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)C(C#N)c3nc4ccccc4n3C)n[nH]2)cc1C ZINC000187235000 1091858442 /nfs/dbraw/zinc/85/84/42/1091858442.db2.gz YNJIPELVOBSDLI-INIZCTEOSA-N 0 1 369.428 4.070 20 30 FIEDMN C[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000512293472 1092019186 /nfs/dbraw/zinc/01/91/86/1092019186.db2.gz LNZAMLLSIVTIFT-MRXNPFEDSA-N 0 1 365.502 4.466 20 30 FIEDMN C[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000512293472 1092019196 /nfs/dbraw/zinc/01/91/96/1092019196.db2.gz LNZAMLLSIVTIFT-MRXNPFEDSA-N 0 1 365.502 4.466 20 30 FIEDMN N#CC(C(=O)c1ccncc1Oc1ccccc1)c1cnc2ccccc2n1 ZINC000442527346 1092670523 /nfs/dbraw/zinc/67/05/23/1092670523.db2.gz XJNKVOPXWDHGHB-QGZVFWFLSA-N 0 1 366.380 4.307 20 30 FIEDMN N#C[C@@H](C(=O)c1ccncc1Oc1ccccc1)c1cnc2ccccc2n1 ZINC000442527346 1092670529 /nfs/dbraw/zinc/67/05/29/1092670529.db2.gz XJNKVOPXWDHGHB-QGZVFWFLSA-N 0 1 366.380 4.307 20 30 FIEDMN Cc1ccc(SCC(F)(F)F)c(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000442977955 1092884196 /nfs/dbraw/zinc/88/41/96/1092884196.db2.gz BNUPIOCUSVEXLG-UHFFFAOYSA-N 0 1 366.364 4.479 20 30 FIEDMN COc1cc(CN(C)Cc2ccc(Br)c(F)c2)ccc1C#N ZINC000443065831 1092925708 /nfs/dbraw/zinc/92/57/08/1092925708.db2.gz GHFLSKPLLUIDJP-UHFFFAOYSA-N 0 1 363.230 4.100 20 30 FIEDMN C[C@@H]1C[C@H]1c1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000512595765 1092977619 /nfs/dbraw/zinc/97/76/19/1092977619.db2.gz VMTNAUDRDMIYAY-FOIQADDNSA-N 0 1 363.461 4.125 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000512620070 1092997295 /nfs/dbraw/zinc/99/72/95/1092997295.db2.gz OOUSOYAXGVEPCF-ZIAGYGMSSA-N 0 1 351.425 4.458 20 30 FIEDMN N#Cc1ccc(CN2CCC(c3ccc(Br)cc3)CC2)nc1 ZINC000565167221 1093000773 /nfs/dbraw/zinc/00/07/73/1093000773.db2.gz XRHGFBSFTXTWMM-UHFFFAOYSA-N 0 1 356.267 4.095 20 30 FIEDMN COc1cc2c(cc1OC)CN(Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000614159375 1093015097 /nfs/dbraw/zinc/01/50/97/1093015097.db2.gz ANXPFFAJNZACIO-UHFFFAOYSA-N 0 1 350.462 4.063 20 30 FIEDMN Cc1cc(-c2csc(NC(=O)c3ccc(C#N)c(O)c3)n2)c(F)cc1F ZINC000443285760 1093027814 /nfs/dbraw/zinc/02/78/14/1093027814.db2.gz GAPKPWMIDGRGGG-UHFFFAOYSA-N 0 1 371.368 4.226 20 30 FIEDMN N#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000159517993 1093028226 /nfs/dbraw/zinc/02/82/26/1093028226.db2.gz VQCMZYDRZHJXLU-UHFFFAOYSA-N 0 1 370.771 4.024 20 30 FIEDMN N#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000159518667 1093030145 /nfs/dbraw/zinc/03/01/45/1093030145.db2.gz IREDGKKSONZSQZ-UHFFFAOYSA-N 0 1 370.771 4.024 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000512658919 1093096335 /nfs/dbraw/zinc/09/63/35/1093096335.db2.gz AZPMXIUMYPRTQW-KBPBESRZSA-N 0 1 366.440 4.393 20 30 FIEDMN C[C@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(C#N)cc1F ZINC000512671515 1093116851 /nfs/dbraw/zinc/11/68/51/1093116851.db2.gz FOENYBWVCMYTBU-HNNXBMFYSA-N 0 1 374.419 4.195 20 30 FIEDMN C=C(CNC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000512681970 1093134363 /nfs/dbraw/zinc/13/43/63/1093134363.db2.gz RZNDHCYMMXVEDU-LJQANCHMSA-N 0 1 373.460 4.032 20 30 FIEDMN C=C(CNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000512681970 1093134367 /nfs/dbraw/zinc/13/43/67/1093134367.db2.gz RZNDHCYMMXVEDU-LJQANCHMSA-N 0 1 373.460 4.032 20 30 FIEDMN Cc1nc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)s1 ZINC000178707453 1093134584 /nfs/dbraw/zinc/13/45/84/1093134584.db2.gz GXSCICLNBVKKJS-GFCCVEGCSA-N 0 1 368.245 4.028 20 30 FIEDMN CCOC(=O)c1ccc(-c2ccc(CN3CCC(C)(C#N)CC3)o2)cc1 ZINC000614246391 1093293310 /nfs/dbraw/zinc/29/33/10/1093293310.db2.gz LABZRDCJSKHSGX-UHFFFAOYSA-N 0 1 352.434 4.249 20 30 FIEDMN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000474151276 1093468852 /nfs/dbraw/zinc/46/88/52/1093468852.db2.gz DZIDNVVBKSRLLR-UHFFFAOYSA-N 0 1 368.868 4.118 20 30 FIEDMN C=CCOc1ccc(C[N@H+](CC(=O)N(C)Cc2ccco2)C(C)(C)C)cc1 ZINC000474161490 1093509462 /nfs/dbraw/zinc/50/94/62/1093509462.db2.gz ZWAKKHYRFSOGJP-UHFFFAOYSA-N 0 1 370.493 4.104 20 30 FIEDMN C=CCOc1ccc(CN(CC(=O)N(C)Cc2ccco2)C(C)(C)C)cc1 ZINC000474161490 1093509475 /nfs/dbraw/zinc/50/94/75/1093509475.db2.gz ZWAKKHYRFSOGJP-UHFFFAOYSA-N 0 1 370.493 4.104 20 30 FIEDMN C=CCOc1ccc(CN(Cc2cc(=O)c(OC)co2)C(C)(C)C)cc1 ZINC000474166633 1093537804 /nfs/dbraw/zinc/53/78/04/1093537804.db2.gz CEOJFZNNZNGPNO-UHFFFAOYSA-N 0 1 357.450 4.014 20 30 FIEDMN C[C@@H](CCC#N)C[N@H+]1CCOc2ccc(NC(=O)OC(C)(C)C)cc2C1 ZINC000895601069 1093619795 /nfs/dbraw/zinc/61/97/95/1093619795.db2.gz WVQDMNWCZRHYFE-HNNXBMFYSA-N 0 1 359.470 4.168 20 30 FIEDMN COc1cc2c(cc1OC)[C@H](NCc1cc(C#N)cnc1Cl)CCCC2 ZINC000895655776 1093653679 /nfs/dbraw/zinc/65/36/79/1093653679.db2.gz LIJCGMOITSZBSL-QGZVFWFLSA-N 0 1 371.868 4.181 20 30 FIEDMN N#CC1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000123694068 1093724075 /nfs/dbraw/zinc/72/40/75/1093724075.db2.gz XKOPLSMEQMAAEQ-UHFFFAOYSA-N 0 1 356.473 4.334 20 30 FIEDMN C=CCS(=O)(=O)CCN[C@H](CC)c1ccc(Oc2ccccc2)cc1 ZINC000783530509 1093819384 /nfs/dbraw/zinc/81/93/84/1093819384.db2.gz AMEQYXNFZVAISD-HXUWFJFHSA-N 0 1 359.491 4.120 20 30 FIEDMN COC(=O)C[C@@](C)(NCc1ccccc1C(C)(C)C#N)c1cccc(F)c1 ZINC000513129032 1093867432 /nfs/dbraw/zinc/86/74/32/1093867432.db2.gz VBMFJOXLKLUPGC-JOCHJYFZSA-N 0 1 368.452 4.195 20 30 FIEDMN C=C1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000513466760 1094144954 /nfs/dbraw/zinc/14/49/54/1094144954.db2.gz KIZZCPHZMNPAKX-UHFFFAOYSA-N 0 1 368.433 4.334 20 30 FIEDMN N#Cc1cccc(NC(=O)CCN(Cc2ccco2)Cc2ccccc2)c1 ZINC000433937098 1094211106 /nfs/dbraw/zinc/21/11/06/1094211106.db2.gz QEAXIBZFBBOUAE-UHFFFAOYSA-N 0 1 359.429 4.182 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2ccccc2OCc2csc(C)n2)n1 ZINC000513652584 1094254474 /nfs/dbraw/zinc/25/44/74/1094254474.db2.gz AWHXFHZFFDCNJI-OAHLLOKOSA-N 0 1 369.471 4.286 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2OCc2csc(C)n2)n1 ZINC000513652584 1094254481 /nfs/dbraw/zinc/25/44/81/1094254481.db2.gz AWHXFHZFFDCNJI-OAHLLOKOSA-N 0 1 369.471 4.286 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)n1 ZINC000115900987 1094284189 /nfs/dbraw/zinc/28/41/89/1094284189.db2.gz LKRFVFPBBGLGMP-LJQANCHMSA-N 0 1 373.437 4.392 20 30 FIEDMN C[C@H](C(=O)Nc1ccc(CC#N)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000025507670 1094344513 /nfs/dbraw/zinc/34/45/13/1094344513.db2.gz CBFZEOOHDYKYGT-GOSISDBHSA-N 0 1 361.489 4.034 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cnn(-c3cccc(Cl)c3)c2C)n1 ZINC000041515844 1094639797 /nfs/dbraw/zinc/63/97/97/1094639797.db2.gz DOCRXHLTWVVLRA-AWEZNQCLSA-N 0 1 356.838 4.089 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000041519010 1094642026 /nfs/dbraw/zinc/64/20/26/1094642026.db2.gz LTBIZOYENDJXEW-CQSZACIVSA-N 0 1 367.455 4.255 20 30 FIEDMN O=C(NC1(c2ccc(Cl)cc2)CCCCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329097752 1094736922 /nfs/dbraw/zinc/73/69/22/1094736922.db2.gz YNMPPCWXGSADSX-CYBMUJFWSA-N 0 1 358.873 4.379 20 30 FIEDMN O=C(NC1(c2ccc(Cl)cc2)CCCCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329097752 1094736931 /nfs/dbraw/zinc/73/69/31/1094736931.db2.gz YNMPPCWXGSADSX-CYBMUJFWSA-N 0 1 358.873 4.379 20 30 FIEDMN CSc1ccccc1[C@@H](C)N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000501534847 1094762381 /nfs/dbraw/zinc/76/23/81/1094762381.db2.gz MPWMCWRTJMIERT-NHUHVJRWSA-N 0 1 373.566 4.378 20 30 FIEDMN O=C(Nc1cnc2c(c1)CCCC2)N1CCCn2c(cc3ccccc32)C1 ZINC000329235359 1094792410 /nfs/dbraw/zinc/79/24/10/1094792410.db2.gz INIPXQAKFAKJGK-UHFFFAOYSA-N 0 1 360.461 4.367 20 30 FIEDMN CC(C)(C)c1ccc2c(c1)CN(C(=O)N[C@@H]1CCCc3cn[nH]c31)CC2 ZINC000329268795 1094803928 /nfs/dbraw/zinc/80/39/28/1094803928.db2.gz DWEUNPHUTFCXBS-GOSISDBHSA-N 0 1 352.482 4.057 20 30 FIEDMN O=C(NCc1ccccc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329419371 1094894280 /nfs/dbraw/zinc/89/42/80/1094894280.db2.gz DYGFFZAXNHWELV-SFHVURJKSA-N 0 1 367.497 4.146 20 30 FIEDMN O=C(Nc1ncc(C2CCCCC2)s1)N1CCC[C@H]1Cn1ccnc1 ZINC000329460101 1094920292 /nfs/dbraw/zinc/92/02/92/1094920292.db2.gz PCKKAFLRPQCLHX-HNNXBMFYSA-N 0 1 359.499 4.097 20 30 FIEDMN C=CCN1CC[C@@H](N(Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)C1=O ZINC001168045128 1095025229 /nfs/dbraw/zinc/02/52/29/1095025229.db2.gz XAJROVMGTHYONW-XZOQPEGZSA-N 0 1 360.501 4.271 20 30 FIEDMN N#Cc1ccc(OC2CCN(Cc3c[nH]nc3-c3cccs3)CC2)cc1 ZINC000513725786 1095039937 /nfs/dbraw/zinc/03/99/37/1095039937.db2.gz SMYORURVXFUOIL-UHFFFAOYSA-N 0 1 364.474 4.053 20 30 FIEDMN Cc1sc(NC(=O)CN[C@@H](CC(F)F)c2ccccc2)c(C#N)c1C ZINC000420993023 1095229414 /nfs/dbraw/zinc/22/94/14/1095229414.db2.gz LPUSJPMHXUHKOT-HNNXBMFYSA-N 0 1 363.433 4.161 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCC[C@@H]3CCO[C@H](C)C3)[nH]c2c1 ZINC000329749057 1095248695 /nfs/dbraw/zinc/24/86/95/1095248695.db2.gz HFARRLOCMSTHAI-MDZRGWNJSA-N 0 1 370.497 4.127 20 30 FIEDMN CCN(CCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1)CC(F)(F)F ZINC000475037841 1095253221 /nfs/dbraw/zinc/25/32/21/1095253221.db2.gz HQVRNWHXLZVPPE-QZTJIDSGSA-N 0 1 353.432 4.032 20 30 FIEDMN CCc1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCc4c3cccc4O)C2)n1 ZINC000329776459 1095260912 /nfs/dbraw/zinc/26/09/12/1095260912.db2.gz ODIZRHXZSWKQFG-CXAGYDPISA-N 0 1 371.506 4.192 20 30 FIEDMN O=C(N[C@@H]1CCCCC12CCCC2)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000329840104 1095288298 /nfs/dbraw/zinc/28/82/98/1095288298.db2.gz WGBMFOAUCACLGE-DLBZAZTESA-N 0 1 371.529 4.279 20 30 FIEDMN Cc1cn2c(n1)[C@@H](C[NH+]=C([O-])N1CCc3c(cccc3C(C)C)C1)CCC2 ZINC000329918835 1095313581 /nfs/dbraw/zinc/31/35/81/1095313581.db2.gz GCYWELJXZUVMCE-QGZVFWFLSA-N 0 1 366.509 4.165 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+]C[C@@H]2CCCCS2)CC1 ZINC000329944158 1095323863 /nfs/dbraw/zinc/32/38/63/1095323863.db2.gz DZSSUOYCWKGTTC-KRWDZBQOSA-N 0 1 372.538 4.181 20 30 FIEDMN CC(C)[C@H]1C[C@@H]([NH+]=C([O-])N2CCC(c3cnn(C)c3)CC2)c2ccccc21 ZINC000329963243 1095332760 /nfs/dbraw/zinc/33/27/60/1095332760.db2.gz TYDYJFLUXUFQAC-NHCUHLMSSA-N 0 1 366.509 4.398 20 30 FIEDMN C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)C[C@@H]1n1ccnc1 ZINC000329990664 1095341214 /nfs/dbraw/zinc/34/12/14/1095341214.db2.gz WIGZSJSFPPXRRT-VUBSUSDNSA-N 0 1 370.472 4.155 20 30 FIEDMN CC1(C)CCC(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000502317678 1095341592 /nfs/dbraw/zinc/34/15/92/1095341592.db2.gz FVTKUWIITUUJCB-UHFFFAOYSA-N 0 1 367.537 4.199 20 30 FIEDMN C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000330015644 1095352141 /nfs/dbraw/zinc/35/21/41/1095352141.db2.gz OHMWFZQWCQBACW-SFYZADRCSA-N 0 1 360.635 4.401 20 30 FIEDMN O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330093378 1095377388 /nfs/dbraw/zinc/37/73/88/1095377388.db2.gz ZSISHTZTWUADBO-IAGOWNOFSA-N 0 1 358.873 4.486 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000330111942 1095383560 /nfs/dbraw/zinc/38/35/60/1095383560.db2.gz BMYTWOGRRTUPMV-MJGOQNOKSA-N 0 1 363.465 4.410 20 30 FIEDMN COc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000330113390 1095383794 /nfs/dbraw/zinc/38/37/94/1095383794.db2.gz CVRSKWWQPIZGJP-MOPGFXCFSA-N 0 1 368.481 4.327 20 30 FIEDMN O=C(N[C@@H](c1ccccc1F)C1CCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330129615 1095388931 /nfs/dbraw/zinc/38/89/31/1095388931.db2.gz KBQXASFHGNUEMG-QZTJIDSGSA-N 0 1 356.445 4.361 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000330134521 1095389544 /nfs/dbraw/zinc/38/95/44/1095389544.db2.gz MKRGFGJZJFUIKU-OAHLLOKOSA-N 0 1 365.264 4.066 20 30 FIEDMN C[C@H](CNC(=O)N[C@H]1CCCc2cn[nH]c21)c1c(Cl)cccc1Cl ZINC000330137891 1095391698 /nfs/dbraw/zinc/39/16/98/1095391698.db2.gz OBZBWAGNOQCZGL-YGRLFVJLSA-N 0 1 367.280 4.401 20 30 FIEDMN C[C@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)C1(c2ccccc2)CCCC1 ZINC000330137519 1095392010 /nfs/dbraw/zinc/39/20/10/1095392010.db2.gz UXZKDBOHGPHESU-KRWDZBQOSA-N 0 1 366.509 4.404 20 30 FIEDMN CC[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC[C@@H]1c1ccccc1 ZINC000330157720 1095398736 /nfs/dbraw/zinc/39/87/36/1095398736.db2.gz ZKEBCUGHHRAAHT-AYOQOUSVSA-N 0 1 352.482 4.217 20 30 FIEDMN Cc1noc(C2CCN(C(=O)N[C@@H]3CCC[C@H](c4ccccc4)C3)CC2)n1 ZINC000330174363 1095402143 /nfs/dbraw/zinc/40/21/43/1095402143.db2.gz ICTVRIFNEHQCMW-RBUKOAKNSA-N 0 1 368.481 4.198 20 30 FIEDMN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCCCC(F)(F)C2)C1 ZINC000330220416 1095423572 /nfs/dbraw/zinc/42/35/72/1095423572.db2.gz QFSPXTCMRFDIMT-HZPDHXFCSA-N 0 1 368.472 4.212 20 30 FIEDMN COc1cc(C)c(Br)cc1C(=O)C(C#N)c1nc(C)cs1 ZINC000513746086 1095508667 /nfs/dbraw/zinc/50/86/67/1095508667.db2.gz NTNXZPFRESVMDA-LLVKDONJSA-N 0 1 365.252 4.021 20 30 FIEDMN CC(C)n1ncc2cc(CN3CC=C(c4ccc(C#N)cc4)CC3)cnc21 ZINC000502517751 1095555448 /nfs/dbraw/zinc/55/54/48/1095555448.db2.gz SXRDGZDRBINDLF-UHFFFAOYSA-N 0 1 357.461 4.173 20 30 FIEDMN COc1ccc(C(=O)Nc2cccc(CN3CCC(C)(C#N)CC3)c2)cc1 ZINC000272584390 1096193614 /nfs/dbraw/zinc/19/36/14/1096193614.db2.gz YUTIQYMOOUQROP-UHFFFAOYSA-N 0 1 363.461 4.073 20 30 FIEDMN CC[C@H](N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000503953830 1096611059 /nfs/dbraw/zinc/61/10/59/1096611059.db2.gz RHIFVFYMJSMBFJ-VXKWHMMOSA-N 0 1 357.457 4.202 20 30 FIEDMN Cc1c(NS(=O)(=O)c2ccc(C#N)cc2Cl)cccc1C(F)(F)F ZINC000504046686 1096642536 /nfs/dbraw/zinc/64/25/36/1096642536.db2.gz WSQZUPWEADNGOV-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN COc1ccc(CSc2nc(C=Cc3ccc(C)o3)n[nH]2)cc1C#N ZINC000533009884 1098662180 /nfs/dbraw/zinc/66/21/80/1098662180.db2.gz SYSCAQIJFIPONC-SOFGYWHQSA-N 0 1 352.419 4.049 20 30 FIEDMN Cc1nc(C(F)(F)F)ccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000515584827 1098728141 /nfs/dbraw/zinc/72/81/41/1098728141.db2.gz FMAWLNDADQVMOF-LLVKDONJSA-N 0 1 373.256 4.313 20 30 FIEDMN Cc1oc(C#N)cc1C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000436144255 1098769501 /nfs/dbraw/zinc/76/95/01/1098769501.db2.gz APHJLMOSCDKPIY-UHFFFAOYSA-N 0 1 360.348 4.394 20 30 FIEDMN C=CCCCCCN(C)[C@H](C)C(=O)Nc1ccccc1Br ZINC000533288007 1098936052 /nfs/dbraw/zinc/93/60/52/1098936052.db2.gz MEWQFCPSJVGDAY-CQSZACIVSA-N 0 1 353.304 4.454 20 30 FIEDMN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000533288006 1098936563 /nfs/dbraw/zinc/93/65/63/1098936563.db2.gz MEWQFCPSJVGDAY-AWEZNQCLSA-N 0 1 353.304 4.454 20 30 FIEDMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000533300459 1098952957 /nfs/dbraw/zinc/95/29/57/1098952957.db2.gz XMKCEPYVMBDAJR-SFHVURJKSA-N 0 1 355.869 4.103 20 30 FIEDMN CC[C@@H](Cc1ccccc1)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000533300459 1098952958 /nfs/dbraw/zinc/95/29/58/1098952958.db2.gz XMKCEPYVMBDAJR-SFHVURJKSA-N 0 1 355.869 4.103 20 30 FIEDMN C[C@H](C#N)N(Cc1n[nH]c(C(C)(C)C)n1)Cc1cccc(C(F)(F)F)c1 ZINC000425529349 1098979699 /nfs/dbraw/zinc/97/96/99/1098979699.db2.gz BFUPKSJQIPMHBE-GFCCVEGCSA-N 0 1 365.403 4.035 20 30 FIEDMN FC(F)(F)Oc1ccc(C#CCN2CCC(OC3CCCC3)CC2)cc1 ZINC000533463037 1099073231 /nfs/dbraw/zinc/07/32/31/1099073231.db2.gz DAQDXHUTDRZSBB-UHFFFAOYSA-N 0 1 367.411 4.360 20 30 FIEDMN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436623612 1099169837 /nfs/dbraw/zinc/16/98/37/1099169837.db2.gz GOXPXLRVQJEHAK-UHFFFAOYSA-N 0 1 370.232 4.003 20 30 FIEDMN CN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436759925 1099275614 /nfs/dbraw/zinc/27/56/14/1099275614.db2.gz IMVANOSECNSQNM-UHFFFAOYSA-N 0 1 350.805 4.343 20 30 FIEDMN C=C(C)[C@H](CC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)OCC ZINC000533704997 1099344885 /nfs/dbraw/zinc/34/48/85/1099344885.db2.gz YVIVZKWPVZWYMZ-SJORKVTESA-N 0 1 361.873 4.251 20 30 FIEDMN COCC[C@@H](NCc1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 ZINC000516660415 1099696914 /nfs/dbraw/zinc/69/69/14/1099696914.db2.gz YRVHIBDJJCAUNT-QGZVFWFLSA-N 0 1 350.249 4.127 20 30 FIEDMN CC[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N(C)Cc1ccccc1 ZINC000516898638 1099923709 /nfs/dbraw/zinc/92/37/09/1099923709.db2.gz YYXGOPJMMREXFM-HSZRJFAPSA-N 0 1 373.500 4.085 20 30 FIEDMN COC[C@H](NCc1cccc(OCCCC#N)c1)c1cccc(Cl)c1 ZINC000517053431 1100000888 /nfs/dbraw/zinc/00/08/88/1100000888.db2.gz LOLIPIDHMJPZPP-FQEVSTJZSA-N 0 1 358.869 4.500 20 30 FIEDMN CCCCOC1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000437581824 1100008950 /nfs/dbraw/zinc/00/89/50/1100008950.db2.gz URXCPWAJBSBHJE-UHFFFAOYSA-N 0 1 355.400 4.218 20 30 FIEDMN N#Cc1cccc(S(=O)(=O)Nc2ccccc2Oc2cccc(F)c2)c1 ZINC000517135282 1100100326 /nfs/dbraw/zinc/10/03/26/1100100326.db2.gz AOWYJXFNWQFCEY-UHFFFAOYSA-N 0 1 368.389 4.290 20 30 FIEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000533891270 1100102459 /nfs/dbraw/zinc/10/24/59/1100102459.db2.gz NMPRADIUOVBVHK-UHFFFAOYSA-N 0 1 350.466 4.380 20 30 FIEDMN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2 ZINC000536875294 1100396241 /nfs/dbraw/zinc/39/62/41/1100396241.db2.gz HVVBAHWZSCQDRY-CQSZACIVSA-N 0 1 361.363 4.179 20 30 FIEDMN COc1ccc(CN2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1C#N ZINC000438283471 1100580197 /nfs/dbraw/zinc/58/01/97/1100580197.db2.gz NSHWSTMHPAEQJZ-GOSISDBHSA-N 0 1 366.852 4.434 20 30 FIEDMN CCC1(CC)CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000438501823 1100700575 /nfs/dbraw/zinc/70/05/75/1100700575.db2.gz NEHHZXADMULELV-INIZCTEOSA-N 0 1 359.539 4.389 20 30 FIEDMN N#Cc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c(OC(F)F)c1 ZINC000437880723 1101093308 /nfs/dbraw/zinc/09/33/08/1101093308.db2.gz GYMWRVLDIXSPKO-GOSISDBHSA-N 0 1 372.415 4.198 20 30 FIEDMN N#Cc1ccc(CN2CC[C@@H](COCc3ccccc3)C2)c(OC(F)F)c1 ZINC000437880723 1101093316 /nfs/dbraw/zinc/09/33/16/1101093316.db2.gz GYMWRVLDIXSPKO-GOSISDBHSA-N 0 1 372.415 4.198 20 30 FIEDMN C=CCOCCCC(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000439050534 1101118555 /nfs/dbraw/zinc/11/85/55/1101118555.db2.gz NFALBNIRILCYML-UHFFFAOYSA-N 0 1 353.397 4.290 20 30 FIEDMN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1cc2cccc(F)c2o1 ZINC000475701578 1101318562 /nfs/dbraw/zinc/31/85/62/1101318562.db2.gz QPMNCEUINYQNQH-OAHLLOKOSA-N 0 1 365.408 4.169 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)cc1O ZINC000190763129 1101344379 /nfs/dbraw/zinc/34/43/79/1101344379.db2.gz FRICJYUCSFZMNI-UHFFFAOYSA-N 0 1 369.424 4.079 20 30 FIEDMN Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000190792899 1101361428 /nfs/dbraw/zinc/36/14/28/1101361428.db2.gz ICNUQJGYWUAEMH-UHFFFAOYSA-N 0 1 371.396 4.077 20 30 FIEDMN N#Cc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c(Cl)c1 ZINC000439455009 1101462815 /nfs/dbraw/zinc/46/28/15/1101462815.db2.gz SSIJRTKKLGZNNO-FQEVSTJZSA-N 0 1 354.837 4.224 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](c2ccccc2F)C2CCCC2)c(C#N)c1C ZINC000537122796 1101466452 /nfs/dbraw/zinc/46/64/52/1101466452.db2.gz PMODIRQOEZUFQH-FQEVSTJZSA-N 0 1 369.440 4.367 20 30 FIEDMN Cc1cc([C@@H]2CCCN(c3c(C#N)cnc4ccc(Cl)cc43)C2)[nH]n1 ZINC000518798393 1101593522 /nfs/dbraw/zinc/59/35/22/1101593522.db2.gz CSQMUGKPDXNTHN-CYBMUJFWSA-N 0 1 351.841 4.175 20 30 FIEDMN C[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(C#N)c(F)c1 ZINC000537406750 1101752623 /nfs/dbraw/zinc/75/26/23/1101752623.db2.gz IIDVVQJPLZGQNJ-HNNXBMFYSA-N 0 1 374.419 4.195 20 30 FIEDMN C[C@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(C#N)c(F)c1 ZINC000537406950 1101752877 /nfs/dbraw/zinc/75/28/77/1101752877.db2.gz LHTLQIFVHMGMGS-AWEZNQCLSA-N 0 1 351.425 4.287 20 30 FIEDMN COc1ccc(Br)cc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000537407120 1101753099 /nfs/dbraw/zinc/75/30/99/1101753099.db2.gz NBCKLDZUIZOHAQ-LLVKDONJSA-N 0 1 363.230 4.319 20 30 FIEDMN C[C@@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(C#N)c(F)c1 ZINC000537407903 1101754605 /nfs/dbraw/zinc/75/46/05/1101754605.db2.gz NRESFLBRHWRRFG-ACJLOTCBSA-N 0 1 371.843 4.197 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127542058 1101910699 /nfs/dbraw/zinc/91/06/99/1101910699.db2.gz MQCLJQRNZIJTOF-CHWSQXEVSA-N 0 1 361.367 4.255 20 30 FIEDMN N#C[C@H](C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccncn1 ZINC000760350494 1101931267 /nfs/dbraw/zinc/93/12/67/1101931267.db2.gz AEJPETIDNQRKSA-KKUMJFAQSA-N 0 1 360.442 4.013 20 30 FIEDMN Cc1ccc2nc(-c3ccccc3)cc(C(=O)C(C#N)c3ccncn3)c2c1 ZINC000760356037 1101936291 /nfs/dbraw/zinc/93/62/91/1101936291.db2.gz FGHRUSGOJXPMCL-LJQANCHMSA-N 0 1 364.408 4.490 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000519168283 1101983375 /nfs/dbraw/zinc/98/33/75/1101983375.db2.gz UDEKQYFHZXRXKK-XJKSGUPXSA-N 0 1 350.915 4.056 20 30 FIEDMN Cc1ccc(-c2ccc(C)c(NS(=O)(=O)c3ccccc3C#N)c2)o1 ZINC000475827247 1102023657 /nfs/dbraw/zinc/02/36/57/1102023657.db2.gz DXQXJZRGYPKMKN-UHFFFAOYSA-N 0 1 352.415 4.236 20 30 FIEDMN COc1ccccc1[C@@H](CNc1ccc(C#N)cc1F)N1CCCCC1 ZINC000506837728 1102254674 /nfs/dbraw/zinc/25/46/74/1102254674.db2.gz LGOJHTCRABSUKW-HXUWFJFHSA-N 0 1 353.441 4.345 20 30 FIEDMN Cc1ccc([C@@H](C)N(C)CC(=O)Nc2cc(Cl)ccc2C#N)c(C)c1 ZINC000532493742 1102437716 /nfs/dbraw/zinc/43/77/16/1102437716.db2.gz UWDFMUCFSKBOCV-OAHLLOKOSA-N 0 1 355.869 4.460 20 30 FIEDMN N#Cc1ccsc1NC(=O)CN(CCc1ccc(Cl)cc1)CC1CC1 ZINC000532577397 1102499985 /nfs/dbraw/zinc/49/99/85/1102499985.db2.gz HPUUJUWFZGSRFT-UHFFFAOYSA-N 0 1 373.909 4.166 20 30 FIEDMN CC(C)(C)[C@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000303601963 1102536899 /nfs/dbraw/zinc/53/68/99/1102536899.db2.gz AGRGESHTZGRYIW-INIZCTEOSA-N 0 1 359.539 4.389 20 30 FIEDMN C=CCOc1ccccc1CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000113341106 1102539687 /nfs/dbraw/zinc/53/96/87/1102539687.db2.gz IRNBYUHMHQCKBO-UHFFFAOYSA-N 0 1 372.472 4.318 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1occc1COc1ccccc1 ZINC000122171759 1102540187 /nfs/dbraw/zinc/54/01/87/1102540187.db2.gz CUVIFBHOYPIVQY-QGZVFWFLSA-N 0 1 371.396 4.235 20 30 FIEDMN CC(C)(CC#N)CNC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459226755 1102637068 /nfs/dbraw/zinc/63/70/68/1102637068.db2.gz ASAPDYWZFZOWBC-MRXNPFEDSA-N 0 1 373.888 4.393 20 30 FIEDMN C[C@H]1C[C@H]1c1ccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)o1 ZINC000519568356 1102729340 /nfs/dbraw/zinc/72/93/40/1102729340.db2.gz RBCKEMUFCUDRKB-KBXCAEBGSA-N 0 1 354.425 4.457 20 30 FIEDMN C[C@H]1C[C@@H]1c1ccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)o1 ZINC000519568386 1102729866 /nfs/dbraw/zinc/72/98/66/1102729866.db2.gz RBCKEMUFCUDRKB-KSSFIOAISA-N 0 1 354.425 4.457 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000102038917 1102818183 /nfs/dbraw/zinc/81/81/83/1102818183.db2.gz NZAWEBDLSGWFGG-GOSISDBHSA-N 0 1 373.522 4.184 20 30 FIEDMN Cc1noc2nc(C(C)C)cc(C(=O)C(C#N)c3nc4ccccc4n3C)c12 ZINC000102115659 1102872847 /nfs/dbraw/zinc/87/28/47/1102872847.db2.gz GPOHJCBRFYUUGG-CQSZACIVSA-N 0 1 373.416 4.031 20 30 FIEDMN C=C(Br)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000729682220 1103036572 /nfs/dbraw/zinc/03/65/72/1103036572.db2.gz VSICKQRZBBRAFR-UHFFFAOYSA-N 0 1 353.241 4.322 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cccc(F)c2F)no1 ZINC001211975362 1103129967 /nfs/dbraw/zinc/12/99/67/1103129967.db2.gz FIQXCAORQQRSNT-CJNGLKHVSA-N 0 1 365.424 4.093 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cc(C)ccc2F)no1 ZINC001211975769 1103134480 /nfs/dbraw/zinc/13/44/80/1103134480.db2.gz PNOBHZQUDYNOBA-QAPCUYQASA-N 0 1 361.461 4.262 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cccc(CC)c2)no1 ZINC001211975736 1103134864 /nfs/dbraw/zinc/13/48/64/1103134864.db2.gz ONPCLZIQVPJWIN-OALUTQOASA-N 0 1 357.498 4.377 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cccc(C)c2F)no1 ZINC001211975888 1103136273 /nfs/dbraw/zinc/13/62/73/1103136273.db2.gz SDZIRDSJSRBGIM-RDJZCZTQSA-N 0 1 361.461 4.262 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507165738 1103165638 /nfs/dbraw/zinc/16/56/38/1103165638.db2.gz SAPSDTJABQIMMD-GOSISDBHSA-N 0 1 369.509 4.019 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000507165738 1103165654 /nfs/dbraw/zinc/16/56/54/1103165654.db2.gz SAPSDTJABQIMMD-GOSISDBHSA-N 0 1 369.509 4.019 20 30 FIEDMN Cc1sc(NC(=O)CN(C)[C@@H](C)Cc2ccc(C)cc2)c(C#N)c1C ZINC000427028496 1103178550 /nfs/dbraw/zinc/17/85/50/1103178550.db2.gz MMHUPSOTTSSIOQ-AWEZNQCLSA-N 0 1 355.507 4.047 20 30 FIEDMN C[C@@H](CNCc1nc(C#N)cs1)Sc1ccc(Br)cc1 ZINC000519755273 1103848662 /nfs/dbraw/zinc/84/86/62/1103848662.db2.gz NAIIQVRYFXJXOX-JTQLQIEISA-N 0 1 368.325 4.048 20 30 FIEDMN CCOc1cc(CNCc2ccc(C#N)cc2C(F)(F)F)ccc1OC ZINC000519860376 1103897889 /nfs/dbraw/zinc/89/78/89/1103897889.db2.gz USARIAKLRDMAIF-UHFFFAOYSA-N 0 1 364.367 4.274 20 30 FIEDMN CCN(CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(C)cc1 ZINC000519918353 1103951573 /nfs/dbraw/zinc/95/15/73/1103951573.db2.gz NQMWUBVOENLWFW-UHFFFAOYSA-N 0 1 363.505 4.381 20 30 FIEDMN N#Cc1ccccc1-c1ccc(CN2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000141037791 1103964786 /nfs/dbraw/zinc/96/47/86/1103964786.db2.gz GZELBMGKIPDBLY-FQEVSTJZSA-N 0 1 374.406 4.360 20 30 FIEDMN CC1(C)CN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000441061097 1104095100 /nfs/dbraw/zinc/09/51/00/1104095100.db2.gz IPTBXILYJQFNQG-OAQYLSRUSA-N 0 1 361.489 4.059 20 30 FIEDMN C=CCCOCCCCC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000538300334 1104121029 /nfs/dbraw/zinc/12/10/29/1104121029.db2.gz ASOVXBAAMGQYMK-IBGZPJMESA-N 0 1 355.482 4.298 20 30 FIEDMN C[C@H](C(=O)NC1CCCCC1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000328652838 1104524304 /nfs/dbraw/zinc/52/43/04/1104524304.db2.gz KRTOTAGBHRBTJV-SJORKVTESA-N 0 1 358.530 4.077 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NCC3(Cc4ccccc4)CCC3)C2)n[nH]1 ZINC000328738947 1104545531 /nfs/dbraw/zinc/54/55/31/1104545531.db2.gz MLPKWSMPIXTKNQ-LJQANCHMSA-N 0 1 366.509 4.225 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+]CC3(Cc4ccccc4)CCC3)C2)n[nH]1 ZINC000328738947 1104545539 /nfs/dbraw/zinc/54/55/39/1104545539.db2.gz MLPKWSMPIXTKNQ-LJQANCHMSA-N 0 1 366.509 4.225 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H]([NH+]=C([O-])NCC1CC(c3ccccc3)C1)CC2 ZINC000328742860 1104547631 /nfs/dbraw/zinc/54/76/31/1104547631.db2.gz NCAIJFJNJVYHLM-GQOXECLESA-N 0 1 366.509 4.019 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H](NC([O-])=[NH+]CC1CC(c3ccccc3)C1)CC2 ZINC000328742860 1104547640 /nfs/dbraw/zinc/54/76/40/1104547640.db2.gz NCAIJFJNJVYHLM-GQOXECLESA-N 0 1 366.509 4.019 20 30 FIEDMN C[C@H]([NH+]=C([O-])N[C@@H]1CCc2ccccc2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000328817066 1104562491 /nfs/dbraw/zinc/56/24/91/1104562491.db2.gz OVYOSPTUQJHRSY-IFXJQAMLSA-N 0 1 363.461 4.343 20 30 FIEDMN C[C@H](NC([O-])=[NH+][C@@H]1CCc2ccccc2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000328817066 1104562500 /nfs/dbraw/zinc/56/25/00/1104562500.db2.gz OVYOSPTUQJHRSY-IFXJQAMLSA-N 0 1 363.461 4.343 20 30 FIEDMN C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@@H](C2CCOCC2)C1 ZINC000328827620 1104571907 /nfs/dbraw/zinc/57/19/07/1104571907.db2.gz JPTLYCWAFJDBAP-UKRRQHHQSA-N 0 1 368.424 4.013 20 30 FIEDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC000328831421 1104573083 /nfs/dbraw/zinc/57/30/83/1104573083.db2.gz KIXFVXVGLBDGLP-PVAVHDDUSA-N 0 1 371.506 4.135 20 30 FIEDMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC000328831421 1104573089 /nfs/dbraw/zinc/57/30/89/1104573089.db2.gz KIXFVXVGLBDGLP-PVAVHDDUSA-N 0 1 371.506 4.135 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000328905593 1104597790 /nfs/dbraw/zinc/59/77/90/1104597790.db2.gz AXKCNZZZHBSYNV-IBGZPJMESA-N 0 1 352.482 4.342 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC[C@H]1C1CCC1 ZINC000328905593 1104597798 /nfs/dbraw/zinc/59/77/98/1104597798.db2.gz AXKCNZZZHBSYNV-IBGZPJMESA-N 0 1 352.482 4.342 20 30 FIEDMN O=C(CN[C@H](c1cncc(Br)c1)C1CC1)NC1CCCCC1 ZINC000328928115 1104603685 /nfs/dbraw/zinc/60/36/85/1104603685.db2.gz XQBLCFNOFHDDRP-KRWDZBQOSA-N 0 1 366.303 4.174 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](CC2CC2)C1 ZINC000550409736 1104787875 /nfs/dbraw/zinc/78/78/75/1104787875.db2.gz XJEWZFRIGATMOU-NVXWUHKLSA-N 0 1 357.523 4.141 20 30 FIEDMN CCN(Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000190496727 1104896554 /nfs/dbraw/zinc/89/65/54/1104896554.db2.gz OEJRIMZSTDSYDG-SFHVURJKSA-N 0 1 374.488 4.325 20 30 FIEDMN CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000507918396 1105266358 /nfs/dbraw/zinc/26/63/58/1105266358.db2.gz CDKJMNAGRXJRNQ-UHFFFAOYSA-N 0 1 363.870 4.178 20 30 FIEDMN Cc1nc(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)ccc1C#N ZINC000427801828 1105282630 /nfs/dbraw/zinc/28/26/30/1105282630.db2.gz JMKZEGKBHFBYTB-UHFFFAOYSA-N 0 1 353.385 4.057 20 30 FIEDMN N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)c1 ZINC000508068123 1105313211 /nfs/dbraw/zinc/31/32/11/1105313211.db2.gz LTYVIVLOHYMEDL-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000151480605 1105372787 /nfs/dbraw/zinc/37/27/87/1105372787.db2.gz DOVQOEWVEQBXES-AWEZNQCLSA-N 0 1 367.415 4.041 20 30 FIEDMN C=C(C)CN1CCC(Nc2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000301174134 1106953085 /nfs/dbraw/zinc/95/30/85/1106953085.db2.gz LHLRDMJEJVDSMB-UHFFFAOYSA-N 0 1 371.485 4.049 20 30 FIEDMN Cc1cc([C@@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)ccc1F ZINC000451167078 1106956275 /nfs/dbraw/zinc/95/62/75/1106956275.db2.gz YXDQTXCRKAJPAS-CHWSQXEVSA-N 0 1 371.481 4.234 20 30 FIEDMN N#Cc1ccsc1NC(=O)CN[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451357155 1107051375 /nfs/dbraw/zinc/05/13/75/1107051375.db2.gz SRODLGQDYMSCHC-INIZCTEOSA-N 0 1 363.845 4.092 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3C#N)[nH]c2c1 ZINC000530722337 1107285554 /nfs/dbraw/zinc/28/55/54/1107285554.db2.gz ZGHBDPHRQSXEQV-SFHVURJKSA-N 0 1 363.396 4.251 20 30 FIEDMN Cc1ccc2cccc(S(=O)(=O)Nc3ccc(C(C)(C)C#N)cc3)c2n1 ZINC000530770741 1107310022 /nfs/dbraw/zinc/31/00/22/1107310022.db2.gz FEZVFJDCOMFOSA-UHFFFAOYSA-N 0 1 365.458 4.145 20 30 FIEDMN Cc1ccncc1CN(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000475563436 1107739231 /nfs/dbraw/zinc/73/92/31/1107739231.db2.gz BZJUKWKZXDKNAA-UHFFFAOYSA-N 0 1 357.457 4.473 20 30 FIEDMN CC(C)(C#N)c1ccc(CN2CC(c3nc(-c4ccccc4)no3)C2)cc1 ZINC000897319338 1107866225 /nfs/dbraw/zinc/86/62/25/1107866225.db2.gz GJKXVXWJSOWCTO-UHFFFAOYSA-N 0 1 358.445 4.137 20 30 FIEDMN N#CC(CCN[C@@H](CCO)c1ccco1)(c1ccccc1)c1ccccc1 ZINC000193122806 1107953796 /nfs/dbraw/zinc/95/37/96/1107953796.db2.gz YHKOKBUIWKSDEG-NRFANRHFSA-N 0 1 360.457 4.193 20 30 FIEDMN N#CC(CCN[C@H](CO)c1ccsc1)(c1ccccc1)c1ccccc1 ZINC000444666817 1108070534 /nfs/dbraw/zinc/07/05/34/1108070534.db2.gz BGJPUROAFBLFDE-OAQYLSRUSA-N 0 1 362.498 4.271 20 30 FIEDMN CCCOc1ccc(CNCc2cc(C#N)cs2)c(OC(F)F)c1 ZINC000152030477 1108141162 /nfs/dbraw/zinc/14/11/62/1108141162.db2.gz VCIYNXSRKJJQND-UHFFFAOYSA-N 0 1 352.406 4.300 20 30 FIEDMN COc1cc(CN[C@@H](COc2ccccc2)c2ccccc2)ccc1C#N ZINC000440803804 1108864074 /nfs/dbraw/zinc/86/40/74/1108864074.db2.gz CVNSKKCYAYHDEQ-QFIPXVFZSA-N 0 1 358.441 4.477 20 30 FIEDMN N#Cc1ccc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000475634693 1108971584 /nfs/dbraw/zinc/97/15/84/1108971584.db2.gz NRXBPZVNOHHSBM-MRXNPFEDSA-N 0 1 354.759 4.054 20 30 FIEDMN N#Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000440908995 1109059593 /nfs/dbraw/zinc/05/95/93/1109059593.db2.gz NBQGACCXSNFBLI-KRWDZBQOSA-N 0 1 365.824 4.457 20 30 FIEDMN CC(C)CCOC1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000446759586 1109337195 /nfs/dbraw/zinc/33/71/95/1109337195.db2.gz PDTDURHXZWKNNZ-UHFFFAOYSA-N 0 1 369.427 4.464 20 30 FIEDMN N#Cc1ccc(F)c(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000022516579 1109480558 /nfs/dbraw/zinc/48/05/58/1109480558.db2.gz OGONZEQKXFBCKK-UHFFFAOYSA-N 0 1 352.409 4.371 20 30 FIEDMN CCN(CCC#N)C(=O)CN[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000447345820 1109520531 /nfs/dbraw/zinc/52/05/31/1109520531.db2.gz RFPXXXQXERUAQK-DEOSSOPVSA-N 0 1 371.484 4.281 20 30 FIEDMN CCN(CCC#N)C(=O)CN[C@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000447342492 1109524152 /nfs/dbraw/zinc/52/41/52/1109524152.db2.gz UEFBXDBJVKRGSW-XMMPIXPASA-N 0 1 371.484 4.281 20 30 FIEDMN COc1ccc([C@H](N[C@H]2CCC[C@@H](C#N)C2)c2ccccc2OC)cc1 ZINC000447576264 1109593158 /nfs/dbraw/zinc/59/31/58/1109593158.db2.gz XMCOCCJDCIUIGH-NRJQMVOHSA-N 0 1 350.462 4.465 20 30 FIEDMN CC[C@@H](N[C@@H](CCO)c1ccccc1Br)c1ccc(C#N)cc1 ZINC000447605797 1109600548 /nfs/dbraw/zinc/60/05/48/1109600548.db2.gz KFESFXVICNEOPI-MOPGFXCFSA-N 0 1 373.294 4.485 20 30 FIEDMN Cc1ccc(C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H]2CCc3ccccc32)cc1 ZINC000526136152 1109626909 /nfs/dbraw/zinc/62/69/09/1109626909.db2.gz RLWDJLWOPNFNGE-QFIPXVFZSA-N 0 1 373.500 4.047 20 30 FIEDMN Cc1ccc(CN(CC(=O)NC2(C#N)CCC2)[C@H]2CCc3ccccc32)cc1 ZINC000526136152 1109626910 /nfs/dbraw/zinc/62/69/10/1109626910.db2.gz RLWDJLWOPNFNGE-QFIPXVFZSA-N 0 1 373.500 4.047 20 30 FIEDMN N#Cc1ccc(C2(NCc3cnc(C4CCC4)s3)CCOCC2)cc1 ZINC000527812069 1109828826 /nfs/dbraw/zinc/82/88/26/1109828826.db2.gz QQVQWLHTUWVRJL-UHFFFAOYSA-N 0 1 353.491 4.078 20 30 FIEDMN C=CCC[C@@H](CO)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000449700255 1110148909 /nfs/dbraw/zinc/14/89/09/1110148909.db2.gz SRIMQCGOZJPRLO-AWEZNQCLSA-N 0 1 356.413 4.246 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(O[C@@H]4CC4(F)F)cc3)[nH]c21 ZINC000528954699 1110157586 /nfs/dbraw/zinc/15/75/86/1110157586.db2.gz UVCTUANKVMCGQE-GDBMZVCRSA-N 0 1 367.355 4.148 20 30 FIEDMN CCCOc1c(Cl)cc(CNCc2ccc(C#N)c(F)c2)cc1OC ZINC000449733689 1110158291 /nfs/dbraw/zinc/15/82/91/1110158291.db2.gz JILBXSFINFVOLX-UHFFFAOYSA-N 0 1 362.832 4.438 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCC3CCC(C#N)CC3)[nH]c2c1 ZINC000282028461 1110317561 /nfs/dbraw/zinc/31/75/61/1110317561.db2.gz SVUCIKKIMSFEAY-LADRWXRNSA-N 0 1 365.481 4.048 20 30 FIEDMN Cc1nc(NC2CCN(Cc3ccc(F)cc3)CC2)c(Cl)cc1C#N ZINC000461778399 1111352210 /nfs/dbraw/zinc/35/22/10/1111352210.db2.gz RQEZYBBBOJKCSP-UHFFFAOYSA-N 0 1 358.848 4.131 20 30 FIEDMN C=CCCCN[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000462170115 1111521170 /nfs/dbraw/zinc/52/11/70/1111521170.db2.gz JQGLVNTXRVYIMK-IBGZPJMESA-N 0 1 365.445 4.014 20 30 FIEDMN Cn1ccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000477871074 1111591726 /nfs/dbraw/zinc/59/17/26/1111591726.db2.gz BPHTVUAPJPUKBO-WRQGHLQJSA-N 0 1 365.502 4.439 20 30 FIEDMN Cn1ccc(C(=O)C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000477871074 1111591728 /nfs/dbraw/zinc/59/17/28/1111591728.db2.gz BPHTVUAPJPUKBO-WRQGHLQJSA-N 0 1 365.502 4.439 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccnc(OCc3ccccc3)c2)cc1 ZINC000237497691 1111596002 /nfs/dbraw/zinc/59/60/02/1111596002.db2.gz OLCFBGJBAYSOOA-SFHVURJKSA-N 0 1 373.456 4.241 20 30 FIEDMN C=CCC[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccco1 ZINC000552254876 1111646487 /nfs/dbraw/zinc/64/64/87/1111646487.db2.gz YVOWYAQUZQFTDW-SCTDSRPQSA-N 0 1 355.482 4.085 20 30 FIEDMN Cc1cc([C@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2OC3)nc(C)n1 ZINC000041574856 1111723142 /nfs/dbraw/zinc/72/31/42/1111723142.db2.gz ICHJPNQFYJJVNA-HNNXBMFYSA-N 0 1 361.426 4.204 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2cc3c(s2)-c2ccccc2OC3)nc(C)n1 ZINC000041574856 1111723147 /nfs/dbraw/zinc/72/31/47/1111723147.db2.gz ICHJPNQFYJJVNA-HNNXBMFYSA-N 0 1 361.426 4.204 20 30 FIEDMN CCC(CC)n1nccc1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000151326365 1111735153 /nfs/dbraw/zinc/73/51/53/1111735153.db2.gz FZEZOLBPNJLIIW-OAHLLOKOSA-N 0 1 365.462 4.253 20 30 FIEDMN CC1(C)CCCC[C@H]1CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000479249664 1111975481 /nfs/dbraw/zinc/97/54/81/1111975481.db2.gz RXYWBTRBXJHXNO-FQEVSTJZSA-N 0 1 367.537 4.267 20 30 FIEDMN C[C@H](CC1CCCCC1)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000479284511 1111981850 /nfs/dbraw/zinc/98/18/50/1111981850.db2.gz SNZDPEXRSLCLGT-LJQANCHMSA-N 0 1 367.537 4.267 20 30 FIEDMN C=CCC1(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CCC1 ZINC000480435379 1112424996 /nfs/dbraw/zinc/42/49/96/1112424996.db2.gz KBHYXYMBFAJIAV-INIZCTEOSA-N 0 1 354.416 4.171 20 30 FIEDMN COc1ccc(CN2CCC=C(c3ccco3)C2)cc1OCCCC#N ZINC000554872861 1112540135 /nfs/dbraw/zinc/54/01/35/1112540135.db2.gz CYGUQJCMTSXELZ-UHFFFAOYSA-N 0 1 352.434 4.260 20 30 FIEDMN C=C(C)[C@H](N[C@H](C)CC(=O)NCCc1ccccc1)c1ccc(F)c(F)c1 ZINC000480689626 1112547827 /nfs/dbraw/zinc/54/78/27/1112547827.db2.gz NMJRGIGSZJHUMJ-ZHRRBRCNSA-N 0 1 372.459 4.309 20 30 FIEDMN CC(C)c1csc(C(C#N)=C([O-])c2cc(N(C)C)c3ccccc3[nH+]2)n1 ZINC000555064393 1112643831 /nfs/dbraw/zinc/64/38/31/1112643831.db2.gz VOBNWFYQPNJYMS-CQSZACIVSA-N 0 1 364.474 4.371 20 30 FIEDMN CO[C@H](CC(C)C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000842295428 1112854514 /nfs/dbraw/zinc/85/45/14/1112854514.db2.gz GEYOLRYUHAUEMM-XHDPSFHLSA-N 0 1 364.417 4.326 20 30 FIEDMN N#Cc1ccc(CN2CC[C@H](Sc3ccc(Br)cc3)C2)o1 ZINC000600187382 1112916064 /nfs/dbraw/zinc/91/60/64/1112916064.db2.gz XVHBDXAXBYJPRS-INIZCTEOSA-N 0 1 363.280 4.280 20 30 FIEDMN COc1ccc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1OCCCC#N ZINC000600182499 1112918326 /nfs/dbraw/zinc/91/83/26/1112918326.db2.gz DKXZOYDZHHJBEN-HUUCEWRRSA-N 0 1 352.425 4.101 20 30 FIEDMN C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000600196128 1112922262 /nfs/dbraw/zinc/92/22/62/1112922262.db2.gz LKIHVDNGXCGTQT-QFBILLFUSA-N 0 1 354.494 4.041 20 30 FIEDMN C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600196126 1112922405 /nfs/dbraw/zinc/92/24/05/1112922405.db2.gz LKIHVDNGXCGTQT-APWZRJJASA-N 0 1 354.494 4.041 20 30 FIEDMN N#CC(C(=O)[C@@H]1COCC[C@@H]1c1ccccc1)c1nccc2ccccc21 ZINC000842347496 1113048645 /nfs/dbraw/zinc/04/86/45/1113048645.db2.gz XHRALXWCFPIPGX-HLAWJBBLSA-N 0 1 356.425 4.231 20 30 FIEDMN Cc1cc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)ccc1C#N ZINC000488187640 1113870731 /nfs/dbraw/zinc/87/07/31/1113870731.db2.gz UJOGBSRVLBIEAU-OAQYLSRUSA-N 0 1 362.477 4.043 20 30 FIEDMN CCN(CCc1cccs1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000488294506 1113902342 /nfs/dbraw/zinc/90/23/42/1113902342.db2.gz MRQPWSZMBXUMPF-ZDUSSCGKSA-N 0 1 373.547 4.062 20 30 FIEDMN CCN(CCc1cccs1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000488362573 1113915904 /nfs/dbraw/zinc/91/59/04/1113915904.db2.gz RUHOZLUJFJOQDT-CYBMUJFWSA-N 0 1 361.898 4.165 20 30 FIEDMN CCN(CCc1cccs1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000488362574 1113915945 /nfs/dbraw/zinc/91/59/45/1113915945.db2.gz RUHOZLUJFJOQDT-ZDUSSCGKSA-N 0 1 361.898 4.165 20 30 FIEDMN C=CCC[C@H](C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1)c1ccccc1 ZINC000489693674 1114163133 /nfs/dbraw/zinc/16/31/33/1114163133.db2.gz FEHMUGBKMCRDOE-HNNXBMFYSA-N 0 1 363.417 4.038 20 30 FIEDMN CC(C)(CCC#N)CNC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000489873851 1114186090 /nfs/dbraw/zinc/18/60/90/1114186090.db2.gz JSUQYGISYABLRV-UHFFFAOYSA-N 0 1 352.463 4.351 20 30 FIEDMN Cc1ccc(-c2ccc(C=Nn3c(=O)c4ccccc4[nH]c3=S)o2)cc1 ZINC000912806578 1114204758 /nfs/dbraw/zinc/20/47/58/1114204758.db2.gz RZWRKOFTXFSMRU-UHFFFAOYSA-N 0 1 361.426 4.136 20 30 FIEDMN CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490036728 1114206236 /nfs/dbraw/zinc/20/62/36/1114206236.db2.gz WQWMZNWHORDRKJ-QGZVFWFLSA-N 0 1 365.477 4.115 20 30 FIEDMN CCCN(Cc1ccc(OC)c(C#N)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490036728 1114206238 /nfs/dbraw/zinc/20/62/38/1114206238.db2.gz WQWMZNWHORDRKJ-QGZVFWFLSA-N 0 1 365.477 4.115 20 30 FIEDMN COc1ccc(S[C@H](C)C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000054736792 1114386295 /nfs/dbraw/zinc/38/62/95/1114386295.db2.gz YIYBYNZYHNKXGG-DOMZBBRYSA-N 0 1 352.415 4.193 20 30 FIEDMN CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000055152112 1114421609 /nfs/dbraw/zinc/42/16/09/1114421609.db2.gz ZDGHNZHCDMJWFP-CVEARBPZSA-N 0 1 351.450 4.023 20 30 FIEDMN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055548834 1114496297 /nfs/dbraw/zinc/49/62/97/1114496297.db2.gz HOCQDPGMWRNMCH-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN N#CCCCCCC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000588669874 1114587562 /nfs/dbraw/zinc/58/75/62/1114587562.db2.gz WSVCHPYFRHCTFV-QGZVFWFLSA-N 0 1 357.502 4.032 20 30 FIEDMN C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(Oc2cccnc2)cc1 ZINC000588971884 1114683391 /nfs/dbraw/zinc/68/33/91/1114683391.db2.gz LFKZVHJHNJSTGS-INIZCTEOSA-N 0 1 372.428 4.035 20 30 FIEDMN C[C@@H]1C[C@H](C)Cc2c(C#N)c(NC(=O)c3ccc4cncn4c3)sc21 ZINC000590999668 1115007606 /nfs/dbraw/zinc/00/76/06/1115007606.db2.gz UMQQCOVOAZQIJK-NWDGAFQWSA-N 0 1 350.447 4.206 20 30 FIEDMN C[C@@H]1Cc2c(C#N)c(NC(=O)c3ccc4cncn4c3)sc2[C@@H](C)C1 ZINC000590999669 1115007839 /nfs/dbraw/zinc/00/78/39/1115007839.db2.gz UMQQCOVOAZQIJK-RYUDHWBXSA-N 0 1 350.447 4.206 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H]2COc3c2ccc(C)c3C)ccc1OC ZINC000591722055 1115121569 /nfs/dbraw/zinc/12/15/69/1115121569.db2.gz PUBTTWFSZXHLLG-LJQANCHMSA-N 0 1 353.462 4.490 20 30 FIEDMN CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000573783201 1115186333 /nfs/dbraw/zinc/18/63/33/1115186333.db2.gz STLLFIVBZSQQDI-LUAWRHEFSA-N 0 1 351.793 4.424 20 30 FIEDMN Cc1ccc2cc([C@@H](C)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc2c1 ZINC000573871704 1115193584 /nfs/dbraw/zinc/19/35/84/1115193584.db2.gz RHWDNJLDZXHOES-UZLBHIALSA-N 0 1 373.456 4.065 20 30 FIEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC(c2cccc3ccccc32)CC1 ZINC000058525165 1115246467 /nfs/dbraw/zinc/24/64/67/1115246467.db2.gz DWLCHLFMAQYQFD-QHCPKHFHSA-N 0 1 363.505 4.074 20 30 FIEDMN Cc1cc(C(C#N)C(=O)CCCc2cccc(Br)c2)nc(C)n1 ZINC000761025387 1115331197 /nfs/dbraw/zinc/33/11/97/1115331197.db2.gz GTVIJVSWERFPRB-INIZCTEOSA-N 0 1 372.266 4.055 20 30 FIEDMN Cc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)c(O[C@@H]2CCOC2)c1 ZINC000594498742 1115450783 /nfs/dbraw/zinc/45/07/83/1115450783.db2.gz VGPXMQSJVMAJQA-OAQYLSRUSA-N 0 1 364.489 4.254 20 30 FIEDMN N#C[C@H]1CCC[C@@H](NCc2cc(Cl)ccc2I)C1 ZINC000595056702 1115507918 /nfs/dbraw/zinc/50/79/18/1115507918.db2.gz QYVYALBQQKZOLS-GXFFZTMASA-N 0 1 374.653 4.117 20 30 FIEDMN COc1ncc(Br)cc1CN[C@H](CCCC#N)c1ccccc1 ZINC000595503886 1115539383 /nfs/dbraw/zinc/53/93/83/1115539383.db2.gz XVLUAOVDAHSCPI-QGZVFWFLSA-N 0 1 374.282 4.377 20 30 FIEDMN CC(C)(C)[C@H](NC(=O)CNC(C)(C)c1cccc(C#N)c1)c1cccs1 ZINC000595635930 1115552048 /nfs/dbraw/zinc/55/20/48/1115552048.db2.gz PMTHNRXOMHLSGC-LJQANCHMSA-N 0 1 369.534 4.348 20 30 FIEDMN CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CC[C@@](C)(C#N)C1 ZINC000595841468 1115564173 /nfs/dbraw/zinc/56/41/73/1115564173.db2.gz UZCMPDLYLWGYGE-FQEVSTJZSA-N 0 1 361.917 4.419 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4nc5ncccc5cc4C#N)C3)[nH]c2c1 ZINC000596189835 1115576619 /nfs/dbraw/zinc/57/66/19/1115576619.db2.gz LNIKDMJSIYPFCC-INIZCTEOSA-N 0 1 368.444 4.070 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596990709 1115633784 /nfs/dbraw/zinc/63/37/84/1115633784.db2.gz BJAODPPMMVKNNI-NRFANRHFSA-N 0 1 356.473 4.466 20 30 FIEDMN COc1cc(CN2CCC[C@@H](CC#N)C2)ccc1OCc1cccs1 ZINC000597173558 1115646308 /nfs/dbraw/zinc/64/63/08/1115646308.db2.gz JZOSPQPNCDJELY-INIZCTEOSA-N 0 1 356.491 4.461 20 30 FIEDMN CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC[C@@H](CC#N)C1 ZINC000597175364 1115646932 /nfs/dbraw/zinc/64/69/32/1115646932.db2.gz AWJAVGFRBQQBKE-IBGZPJMESA-N 0 1 350.510 4.355 20 30 FIEDMN Cc1cccc2c(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)coc21 ZINC000593348325 1115664241 /nfs/dbraw/zinc/66/42/41/1115664241.db2.gz LATKPMLDNZKCJM-UHFFFAOYSA-N 0 1 373.456 4.007 20 30 FIEDMN CC(C)[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598587889 1115738507 /nfs/dbraw/zinc/73/85/07/1115738507.db2.gz UZTISJIHMJMNDK-OAHLLOKOSA-N 0 1 371.294 4.099 20 30 FIEDMN CC(C)(C#N)C[C@H](O)CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000598618917 1115740157 /nfs/dbraw/zinc/74/01/57/1115740157.db2.gz WZUXRCSOWTVKJA-LBPRGKRZSA-N 0 1 360.807 4.238 20 30 FIEDMN COc1cccc([C@H](NC[C@@H](O)CC(C)(C)C#N)c2ccccc2Cl)c1 ZINC000598720081 1115748186 /nfs/dbraw/zinc/74/81/86/1115748186.db2.gz MCDLCFBVRJXPNC-JXFKEZNVSA-N 0 1 372.896 4.328 20 30 FIEDMN N#Cc1ccc(NC(=O)N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000603501043 1115785724 /nfs/dbraw/zinc/78/57/24/1115785724.db2.gz AKTQMGSOKOEZLA-UHFFFAOYSA-N 0 1 370.456 4.061 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C=Cc3ccccc3C#N)[nH]c2c1 ZINC000061231113 1115807857 /nfs/dbraw/zinc/80/78/57/1115807857.db2.gz VVYUSUMMIADBOB-BQYDLMEBSA-N 0 1 356.429 4.120 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCCC(F)(F)CC2)c1 ZINC000599553300 1115826236 /nfs/dbraw/zinc/82/62/36/1115826236.db2.gz ZAEUDIIWTJMXEP-KRWDZBQOSA-N 0 1 363.452 4.060 20 30 FIEDMN N#Cc1cccc(Oc2ccc(NC(=O)c3cc(F)cc4[nH]cnc43)cn2)c1 ZINC000604234752 1115860098 /nfs/dbraw/zinc/86/00/98/1115860098.db2.gz QNJNISINIDSIFC-UHFFFAOYSA-N 0 1 373.347 4.013 20 30 FIEDMN COc1ccc(CCCCCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000171365335 1115863765 /nfs/dbraw/zinc/86/37/65/1115863765.db2.gz WFSHEXYEXZJKIG-FQEVSTJZSA-N 0 1 364.445 4.146 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)o1 ZINC000604572946 1115870231 /nfs/dbraw/zinc/87/02/31/1115870231.db2.gz CJHSKJLXFBTONX-MRXNPFEDSA-N 0 1 353.466 4.216 20 30 FIEDMN Cc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c(C)n1CC(F)(F)F ZINC000605362532 1115891168 /nfs/dbraw/zinc/89/11/68/1115891168.db2.gz IMUVXRSQUIVHOJ-CQSZACIVSA-N 0 1 374.366 4.342 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc4[nH]c(C(F)F)nc4c3)[nH]c21 ZINC000605363067 1115891402 /nfs/dbraw/zinc/89/14/02/1115891402.db2.gz GBCXNECMRPRGNP-LLVKDONJSA-N 0 1 365.343 4.175 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cc(F)cc(Br)c3)[nH]c21 ZINC000605363564 1115891715 /nfs/dbraw/zinc/89/17/15/1115891715.db2.gz KBVXZAQFYMQJKA-CYBMUJFWSA-N 0 1 372.197 4.263 20 30 FIEDMN C#CCCOc1ccc(CNCc2sccc2Br)cc1 ZINC000172119347 1115916675 /nfs/dbraw/zinc/91/66/75/1115916675.db2.gz XJKFLLFGDKIJOL-UHFFFAOYSA-N 0 1 350.281 4.203 20 30 FIEDMN N#CC(C(=O)C1(c2cccc(F)c2)CC1)c1nc2ccccc2n1C(F)F ZINC000172186345 1115924054 /nfs/dbraw/zinc/92/40/54/1115924054.db2.gz ZVMWDDVWQKMFMT-AWEZNQCLSA-N 0 1 369.346 4.479 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H](C)Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000593973802 1115941971 /nfs/dbraw/zinc/94/19/71/1115941971.db2.gz WMFOIQNVTZCFMD-IIBYNOLFSA-N 0 1 372.472 4.285 20 30 FIEDMN Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc1C ZINC000063497220 1116075116 /nfs/dbraw/zinc/07/51/16/1116075116.db2.gz QVAJXDMOXAUXBN-UHFFFAOYSA-N 0 1 371.238 4.487 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)CCCC2CCCC2)cc1Cl ZINC000173980450 1116104890 /nfs/dbraw/zinc/10/48/90/1116104890.db2.gz LCYSZTLSUMKQAP-OAHLLOKOSA-N 0 1 362.857 4.356 20 30 FIEDMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 ZINC000608811783 1116129675 /nfs/dbraw/zinc/12/96/75/1116129675.db2.gz QZGPVWKOZCNRTR-UHFFFAOYSA-N 0 1 369.384 4.183 20 30 FIEDMN COc1ccccc1[C@H](CNc1ncc(C#N)cc1Cl)N1CCCCC1 ZINC000608885855 1116135391 /nfs/dbraw/zinc/13/53/91/1116135391.db2.gz CJROTDBGBQQLKN-SFHVURJKSA-N 0 1 370.884 4.254 20 30 FIEDMN C=CCC1(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)CCCCC1 ZINC000457073867 1116246082 /nfs/dbraw/zinc/24/60/82/1116246082.db2.gz UIVLMBYVEKUHPO-UHFFFAOYSA-N 0 1 360.464 4.388 20 30 FIEDMN C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457362599 1116270122 /nfs/dbraw/zinc/27/01/22/1116270122.db2.gz LHYKMYRNOQXREE-CXAGYDPISA-N 0 1 361.873 4.251 20 30 FIEDMN N#CCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000535440077 1116307298 /nfs/dbraw/zinc/30/72/98/1116307298.db2.gz JCZPHJGBUDVWJM-GOSISDBHSA-N 0 1 364.836 4.260 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cc1O ZINC000442944555 1116336477 /nfs/dbraw/zinc/33/64/77/1116336477.db2.gz UHQRTAAGVHJBII-UHFFFAOYSA-N 0 1 356.809 4.491 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540323924 1117992105 /nfs/dbraw/zinc/99/21/05/1117992105.db2.gz NVRFXSFYSYTJHJ-KRWDZBQOSA-N 0 1 373.456 4.392 20 30 FIEDMN C=CCN(CCc1ccco1)Cc1nc2ccc(Br)cc2o1 ZINC000463166722 1118002112 /nfs/dbraw/zinc/00/21/12/1118002112.db2.gz UGIFUJMYPZEYMM-UHFFFAOYSA-N 0 1 361.239 4.414 20 30 FIEDMN COc1ccc(C2(NCc3ccc(C#N)cc3Cl)CCOCC2)cc1 ZINC000615226068 1118033544 /nfs/dbraw/zinc/03/35/44/1118033544.db2.gz IVJQXZUTEWUDSL-UHFFFAOYSA-N 0 1 356.853 4.016 20 30 FIEDMN C[C@H](NCC#Cc1ccccc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000540408417 1118037797 /nfs/dbraw/zinc/03/77/97/1118037797.db2.gz BHCBTUPFXNKNFC-INIZCTEOSA-N 0 1 352.865 4.169 20 30 FIEDMN C=CCC[C@H](NCC(=O)Nc1cc(C)no1)c1ccc(C(F)(F)F)cc1 ZINC000540431105 1118054384 /nfs/dbraw/zinc/05/43/84/1118054384.db2.gz WSZFSXADOIOZCN-HNNXBMFYSA-N 0 1 367.371 4.237 20 30 FIEDMN C=CCCOCCCCC(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000540481390 1118080469 /nfs/dbraw/zinc/08/04/69/1118080469.db2.gz NYQDYHXMZYOSAT-SFHVURJKSA-N 0 1 369.509 4.340 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000540707640 1118194917 /nfs/dbraw/zinc/19/49/17/1118194917.db2.gz AVQAKLYCAHPQKQ-GJZGRUSLSA-N 0 1 351.425 4.236 20 30 FIEDMN N#C[C@@H](C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464420761 1118551318 /nfs/dbraw/zinc/55/13/18/1118551318.db2.gz ZGXPEBZLKUSCAT-CYBMUJFWSA-N 0 1 374.297 4.120 20 30 FIEDMN N#CC(C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464420761 1118551321 /nfs/dbraw/zinc/55/13/21/1118551321.db2.gz ZGXPEBZLKUSCAT-CYBMUJFWSA-N 0 1 374.297 4.120 20 30 FIEDMN COc1cc(Cl)ccc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464421893 1118559331 /nfs/dbraw/zinc/55/93/31/1118559331.db2.gz SLYSDQRHTUXXES-GFCCVEGCSA-N 0 1 354.715 4.252 20 30 FIEDMN CCCN(CCc1cccs1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000464574850 1118607469 /nfs/dbraw/zinc/60/74/69/1118607469.db2.gz AFFLFETYNVPXFO-UHFFFAOYSA-N 0 1 361.898 4.166 20 30 FIEDMN CCC[C@]1(C)CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000464844690 1118718736 /nfs/dbraw/zinc/71/87/36/1118718736.db2.gz IYZSOHHOQVPFGV-PGRDOPGGSA-N 0 1 371.525 4.233 20 30 FIEDMN CCC[C@]1(C)CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000464846027 1118719279 /nfs/dbraw/zinc/71/92/79/1118719279.db2.gz IJJCIVUAAWDIPU-LAUBAEHRSA-N 0 1 359.489 4.363 20 30 FIEDMN CCC[C@@]1(C)CCCN(CC(=O)N(CCC#N)c2ccc(OCC)cc2)C1 ZINC000464845538 1118720252 /nfs/dbraw/zinc/72/02/52/1118720252.db2.gz FVRCACWWZHRYBZ-QFIPXVFZSA-N 0 1 371.525 4.234 20 30 FIEDMN CC(C)(NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 ZINC000609145695 1118785680 /nfs/dbraw/zinc/78/56/80/1118785680.db2.gz DYKNLBPDDAGUCF-UHFFFAOYSA-N 0 1 362.260 4.328 20 30 FIEDMN O=C(Cc1n[nH]c2ccccc12)Nc1cccc(C#Cc2ccccc2)c1 ZINC000303061351 1118787804 /nfs/dbraw/zinc/78/78/04/1118787804.db2.gz URKANHLZASJNMK-UHFFFAOYSA-N 0 1 351.409 4.144 20 30 FIEDMN C=C(C)CN(CC)C(=O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000542124275 1118798006 /nfs/dbraw/zinc/79/80/06/1118798006.db2.gz XLDVVPDJEBOBDJ-HXUWFJFHSA-N 0 1 371.912 4.033 20 30 FIEDMN C=CCOc1ccccc1CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542177395 1118837140 /nfs/dbraw/zinc/83/71/40/1118837140.db2.gz URGLJHHGHHVEIJ-MRXNPFEDSA-N 0 1 365.399 4.304 20 30 FIEDMN CCN(CCNc1ccc(C(F)(F)F)c(C#N)c1)CCC(F)(F)F ZINC000491571284 1118965747 /nfs/dbraw/zinc/96/57/47/1118965747.db2.gz BUCXAWZTGVZVAJ-UHFFFAOYSA-N 0 1 353.310 4.263 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000176401545 1119002893 /nfs/dbraw/zinc/00/28/93/1119002893.db2.gz JJSIEPCRTVDBOF-UHFFFAOYSA-N 0 1 372.384 4.160 20 30 FIEDMN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492481081 1119103321 /nfs/dbraw/zinc/10/33/21/1119103321.db2.gz CBWIZZZEUIIPBG-UHFFFAOYSA-N 0 1 353.422 4.277 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492481081 1119103324 /nfs/dbraw/zinc/10/33/24/1119103324.db2.gz CBWIZZZEUIIPBG-UHFFFAOYSA-N 0 1 353.422 4.277 20 30 FIEDMN COc1ccccc1[C@H]1CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000492627338 1119148753 /nfs/dbraw/zinc/14/87/53/1119148753.db2.gz CWXVPLSZXJNHHE-HNNXBMFYSA-N 0 1 371.278 4.319 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000176517224 1119279751 /nfs/dbraw/zinc/27/97/51/1119279751.db2.gz JCDXBBCCFILOGY-HNNXBMFYSA-N 0 1 357.369 4.449 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000176517224 1119279756 /nfs/dbraw/zinc/27/97/56/1119279756.db2.gz JCDXBBCCFILOGY-HNNXBMFYSA-N 0 1 357.369 4.449 20 30 FIEDMN Cc1cc(F)cc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)c1 ZINC000176708371 1119290146 /nfs/dbraw/zinc/29/01/46/1119290146.db2.gz LMESOJFVMROBIF-CYBMUJFWSA-N 0 1 364.467 4.329 20 30 FIEDMN CC(C)c1cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)n(C)n1 ZINC000177603775 1119339629 /nfs/dbraw/zinc/33/96/29/1119339629.db2.gz LJBWIVFLUGGYHJ-AWEZNQCLSA-N 0 1 350.447 4.157 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)n1 ZINC000177772888 1119350463 /nfs/dbraw/zinc/35/04/63/1119350463.db2.gz BUSZRARJRTZJES-DAXOMENPSA-N 0 1 367.474 4.351 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C#N)cs2)cc1 ZINC000176461115 1119432102 /nfs/dbraw/zinc/43/21/02/1119432102.db2.gz USCZVTYNLHWHDT-LRDDRELGSA-N 0 1 351.431 4.094 20 30 FIEDMN C=CC[C@H](C)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000494037222 1119528827 /nfs/dbraw/zinc/52/88/27/1119528827.db2.gz GLUIOCYLHAYUSS-DJJJIMSYSA-N 0 1 365.445 4.012 20 30 FIEDMN Cn1c2ccccc2nc1C(C)(C)NCc1cccc(OCCCC#N)c1 ZINC000185637664 1119678317 /nfs/dbraw/zinc/67/83/17/1119678317.db2.gz PTNXNAKKRGJCSX-UHFFFAOYSA-N 0 1 362.477 4.281 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000194431137 1120272008 /nfs/dbraw/zinc/27/20/08/1120272008.db2.gz PMSFSOVWFKKEER-SFHVURJKSA-N 0 1 368.481 4.285 20 30 FIEDMN Cc1ccc(OCCCn2[nH]c(C(C)(C)C)c(CCC#N)c2=O)cc1C ZINC000465451052 1120345156 /nfs/dbraw/zinc/34/51/56/1120345156.db2.gz GMMSGMUXVGYWFT-UHFFFAOYSA-N 0 1 355.482 4.428 20 30 FIEDMN Clc1cncc(N=NCc2cc3ccccc3nc2N2CCCCC2)n1 ZINC000914556605 1120360604 /nfs/dbraw/zinc/36/06/04/1120360604.db2.gz BRCHLBMUBWFYTP-UHFFFAOYSA-N 0 1 366.856 4.115 20 30 FIEDMN Cc1ccc(-c2ccc(C=NNc3ccc(-n4ccnc4)nn3)s2)cc1 ZINC000761848399 1120536503 /nfs/dbraw/zinc/53/65/03/1120536503.db2.gz YCZDQMRQWDGKAX-UHFFFAOYSA-N 0 1 360.446 4.145 20 30 FIEDMN CCCCCCCC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000914870222 1120607541 /nfs/dbraw/zinc/60/75/41/1120607541.db2.gz VTJVKPUMLPQWQJ-OALUTQOASA-N 0 1 360.542 4.273 20 30 FIEDMN Cc1cc(NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)nc(C)n1 ZINC000915970602 1121357028 /nfs/dbraw/zinc/35/70/28/1121357028.db2.gz IXJVBLXCGKMKBK-UHFFFAOYSA-N 0 1 368.444 4.392 20 30 FIEDMN Brc1cccc(-c2nc(C=N[N-]c3cccc[nH+]3)cs2)c1 ZINC000916274118 1121461514 /nfs/dbraw/zinc/46/15/14/1121461514.db2.gz ZCYYTEUQFGLBRZ-UHFFFAOYSA-N 0 1 359.252 4.414 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2cc3c4ccccc4n(C)c3s2)nc(C)n1 ZINC000916880699 1121907950 /nfs/dbraw/zinc/90/79/50/1121907950.db2.gz UTGCJUKKGCXELY-HNNXBMFYSA-N 0 1 360.442 4.290 20 30 FIEDMN Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1 ZINC000916908882 1121930783 /nfs/dbraw/zinc/93/07/83/1121930783.db2.gz OEAZLYFLWDPPFI-INIZCTEOSA-N 0 1 360.369 4.342 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(F)c3ccccc3c2)n1 ZINC000497415176 1122215502 /nfs/dbraw/zinc/21/55/02/1122215502.db2.gz GUVJLVHYLIVZTQ-CQSZACIVSA-N 0 1 368.389 4.102 20 30 FIEDMN CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(F)c3ccccc3c2)n1 ZINC000497415176 1122215504 /nfs/dbraw/zinc/21/55/04/1122215504.db2.gz GUVJLVHYLIVZTQ-CQSZACIVSA-N 0 1 368.389 4.102 20 30 FIEDMN C#CCN(Cc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCc2ccccc21 ZINC000917520877 1122336927 /nfs/dbraw/zinc/33/69/27/1122336927.db2.gz XSBXUJXMFWJHKM-XMMPIXPASA-N 0 1 372.512 4.435 20 30 FIEDMN Cc1sc2[nH]cnc(=NN=Cc3ccc(N4CCCCC4)o3)c2c1C ZINC000917570246 1122363716 /nfs/dbraw/zinc/36/37/16/1122363716.db2.gz RAAWHVDSXQVCSH-UHFFFAOYSA-N 0 1 355.467 4.337 20 30 FIEDMN Cc1sc2ncnc([N-][NH+]=Cc3ccc(N4CCCCC4)o3)c2c1C ZINC000917570246 1122363722 /nfs/dbraw/zinc/36/37/22/1122363722.db2.gz RAAWHVDSXQVCSH-UHFFFAOYSA-N 0 1 355.467 4.337 20 30 FIEDMN COc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OCCCC#N ZINC000194938250 1123035640 /nfs/dbraw/zinc/03/56/40/1123035640.db2.gz SARKBYOEMIQOCC-HNNXBMFYSA-N 0 1 369.421 4.137 20 30 FIEDMN C=CCOc1ccc(CN(Cc2cn3cccnc3n2)C(C)(C)C)cc1 ZINC000131810506 1123189456 /nfs/dbraw/zinc/18/94/56/1123189456.db2.gz RSONMJLBORDNFR-UHFFFAOYSA-N 0 1 350.466 4.095 20 30 FIEDMN Fc1cc2[nH]c([N-]N=Cc3csc(-c4ccsc4)n3)[nH+]c2cc1F ZINC000920376324 1123449116 /nfs/dbraw/zinc/44/91/16/1123449116.db2.gz ZGMQLBKULNHWPU-UHFFFAOYSA-N 0 1 361.402 4.472 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)Nc2ccccc2SCCC#N)o1 ZINC000609375956 1123695662 /nfs/dbraw/zinc/69/56/62/1123695662.db2.gz PZTZIHYGFCUHQU-UHFFFAOYSA-N 0 1 357.479 4.379 20 30 FIEDMN Cc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n[nH]1 ZINC000609601691 1123765680 /nfs/dbraw/zinc/76/56/80/1123765680.db2.gz SKWHHBKMLDUNKW-UHFFFAOYSA-N 0 1 361.405 4.012 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2c3c(sc2-n2cccc2)CCC3)n1 ZINC000136093597 1123837477 /nfs/dbraw/zinc/83/74/77/1123837477.db2.gz XRJZFWKIMBWSOJ-ZDUSSCGKSA-N 0 1 353.472 4.283 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2c3c(sc2-n2cccc2)CCC3)n1 ZINC000136093597 1123837483 /nfs/dbraw/zinc/83/74/83/1123837483.db2.gz XRJZFWKIMBWSOJ-ZDUSSCGKSA-N 0 1 353.472 4.283 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CCSC[C@H]1c1ccc(C)cc1 ZINC000610132974 1123949475 /nfs/dbraw/zinc/94/94/75/1123949475.db2.gz NUGQGTXEECRUON-IBGZPJMESA-N 0 1 368.502 4.044 20 30 FIEDMN N#CCCCOc1cccc(NC(=O)c2cc(-c3cccs3)n[nH]2)c1 ZINC000080374272 1123963789 /nfs/dbraw/zinc/96/37/89/1123963789.db2.gz MRVPNAAAQOOHOG-UHFFFAOYSA-N 0 1 352.419 4.073 20 30 FIEDMN CC(C)NC(=O)Nc1ccccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080455428 1123966217 /nfs/dbraw/zinc/96/62/17/1123966217.db2.gz ZZBFFGYBHFGNGL-AWEZNQCLSA-N 0 1 370.478 4.286 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cncn2-c2ccc(F)cc2)n1 ZINC000080456612 1123966355 /nfs/dbraw/zinc/96/63/55/1123966355.db2.gz LENVEWPWNTZDAA-CQSZACIVSA-N 0 1 354.410 4.081 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccccc2OC(F)(F)F)cc1 ZINC000237703035 1124023876 /nfs/dbraw/zinc/02/38/76/1124023876.db2.gz PPIXZNBKCIYMQK-ZDUSSCGKSA-N 0 1 350.340 4.166 20 30 FIEDMN CN(C)[C@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)c1ccco1 ZINC000301190980 1124203069 /nfs/dbraw/zinc/20/30/69/1124203069.db2.gz YYBSFKCQHVOHNF-MRXNPFEDSA-N 0 1 372.375 4.016 20 30 FIEDMN Cc1ccc([C@@H](CNc2nc(C(F)(F)F)ccc2C#N)N2CCCC2)o1 ZINC000301309687 1124213441 /nfs/dbraw/zinc/21/34/41/1124213441.db2.gz XXFTTWLYQWXGHV-CQSZACIVSA-N 0 1 364.371 4.123 20 30 FIEDMN CC(C)N1CC[C@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302066498 1124281748 /nfs/dbraw/zinc/28/17/48/1124281748.db2.gz ULPHKCKMHNPTRA-HKUYNNGSSA-N 0 1 358.848 4.382 20 30 FIEDMN CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1 ZINC000302108221 1124284214 /nfs/dbraw/zinc/28/42/14/1124284214.db2.gz OKMQZRYNVAFJAC-PXNSSMCTSA-N 0 1 353.491 4.317 20 30 FIEDMN COc1ccc([C@@H](CNc2cc(C(C)=O)ccc2C#N)N2CCCC2)cc1 ZINC000302131865 1124286779 /nfs/dbraw/zinc/28/67/79/1124286779.db2.gz YIADLNOAWXRBAW-JOCHJYFZSA-N 0 1 363.461 4.018 20 30 FIEDMN N#C[C@H](NC(=O)c1ccc(Nc2ccncc2)cc1)c1ccccc1Cl ZINC000073647927 1124465159 /nfs/dbraw/zinc/46/51/59/1124465159.db2.gz NTKUAHJIDUDCTK-IBGZPJMESA-N 0 1 362.820 4.473 20 30 FIEDMN COc1cc(Cl)cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000499458752 1124727343 /nfs/dbraw/zinc/72/73/43/1124727343.db2.gz WMNRQJFZABQJND-CYBMUJFWSA-N 0 1 354.715 4.252 20 30 FIEDMN CC(C)(C)C[C@H](NC(=O)CN1CCC(CC#N)CC1)c1ccc(F)cc1 ZINC000542882567 1124733478 /nfs/dbraw/zinc/73/34/78/1124733478.db2.gz GBBREKKBIUIHCD-IBGZPJMESA-N 0 1 359.489 4.045 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000542883492 1124748486 /nfs/dbraw/zinc/74/84/86/1124748486.db2.gz NTGAEZSHOCFGIJ-CBGDNZLLSA-N 0 1 371.550 4.389 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H]1c1cccs1 ZINC000249345118 1124854539 /nfs/dbraw/zinc/85/45/39/1124854539.db2.gz UAWPZZHKWDGFQB-QAPCUYQASA-N 0 1 371.481 4.359 20 30 FIEDMN CCCCO[C@@H](C)C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000076205059 1124968917 /nfs/dbraw/zinc/96/89/17/1124968917.db2.gz IWLOIIWWMDPEIJ-JTQLQIEISA-N 0 1 367.247 4.027 20 30 FIEDMN C[C@@H](NCc1c2c(nn1C)CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000921985156 1125147752 /nfs/dbraw/zinc/14/77/52/1125147752.db2.gz OMMMPNPNLZIRMD-MRXNPFEDSA-N 0 1 356.473 4.298 20 30 FIEDMN COc1sc(CN[C@H]2CCc3cc(C#N)ccc32)cc1Br ZINC000618743116 1125259841 /nfs/dbraw/zinc/25/98/41/1125259841.db2.gz XDZXMEWLRBDMBC-HNNXBMFYSA-N 0 1 363.280 4.168 20 30 FIEDMN CCCC[C@H](NCC(=O)Nc1sccc1C#N)c1ccc(OC)cc1 ZINC000182150344 1125262466 /nfs/dbraw/zinc/26/24/66/1125262466.db2.gz DQXYZPSXQCUWJJ-KRWDZBQOSA-N 0 1 357.479 4.088 20 30 FIEDMN Cc1nc(-c2ccccc2)sc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000041496118 208285196 /nfs/dbraw/zinc/28/51/96/208285196.db2.gz HBWKIMSAFXOINF-CQSZACIVSA-N 0 1 358.426 4.485 20 30 FIEDMN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188554625 567934778 /nfs/dbraw/zinc/93/47/78/567934778.db2.gz VJLIRDXXJXYMMF-LSBZLQRGSA-N 0 1 352.881 4.190 20 30 FIEDMN N#Cc1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000568336865 568026154 /nfs/dbraw/zinc/02/61/54/568026154.db2.gz IALWAGREMOWFCB-UHFFFAOYSA-N 0 1 359.395 4.289 20 30 FIEDMN N#Cc1ccc(CN2CCCN(c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000568336865 568026155 /nfs/dbraw/zinc/02/61/55/568026155.db2.gz IALWAGREMOWFCB-UHFFFAOYSA-N 0 1 359.395 4.289 20 30 FIEDMN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)c(F)c1 ZINC000541882236 568058710 /nfs/dbraw/zinc/05/87/10/568058710.db2.gz SSRCOXJAOTXWHD-ORAYPTAESA-N 0 1 371.843 4.197 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000066814196 568071003 /nfs/dbraw/zinc/07/10/03/568071003.db2.gz RGJJREIMVMUWIN-LLVKDONJSA-N 0 1 368.430 4.160 20 30 FIEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000603853523 568167235 /nfs/dbraw/zinc/16/72/35/568167235.db2.gz BGQJMMYRTJPLAF-KNQAVFIVSA-N 0 1 355.526 4.175 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]1c1ccsc1 ZINC000603882132 568176470 /nfs/dbraw/zinc/17/64/70/568176470.db2.gz LZFUMYVXMDAJKN-LPHOPBHVSA-N 0 1 353.491 4.220 20 30 FIEDMN N#Cc1cccc(C2(NCC(=O)Nc3ccc(Cl)cc3Cl)CC2)c1 ZINC000569126803 568285331 /nfs/dbraw/zinc/28/53/31/568285331.db2.gz LDCNSTTUBAJOBA-UHFFFAOYSA-N 0 1 360.244 4.082 20 30 FIEDMN Cc1ccc([C@@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)cc1C ZINC000604435528 568292664 /nfs/dbraw/zinc/29/26/64/568292664.db2.gz ODROAAVRTVQRDO-QFIPXVFZSA-N 0 1 361.489 4.387 20 30 FIEDMN COC(=O)c1cccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000569897473 568434822 /nfs/dbraw/zinc/43/48/22/568434822.db2.gz YFSSZXIYJAJDQX-INIZCTEOSA-N 0 1 371.440 4.258 20 30 FIEDMN COc1ccc(-c2n[nH]c(S[C@@H](C#N)Cc3ccc(C)cc3)n2)cc1 ZINC000007470776 568520819 /nfs/dbraw/zinc/52/08/19/568520819.db2.gz CXBSXXMEMOFCAS-QGZVFWFLSA-N 0 1 350.447 4.016 20 30 FIEDMN COc1cc(F)c([C@@H](C)NCc2cccc(OCCCC#N)c2)cc1OC ZINC000114504003 1125544328 /nfs/dbraw/zinc/54/43/28/1125544328.db2.gz NBEGLXASKCAMCO-OAHLLOKOSA-N 0 1 372.440 4.376 20 30 FIEDMN N#CCc1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000619461300 1125596025 /nfs/dbraw/zinc/59/60/25/1125596025.db2.gz JBJQZXNMKHICOL-UHFFFAOYSA-N 0 1 364.426 4.346 20 30 FIEDMN COc1cc(CNCc2ccc(C#N)c(Cl)c2)c(SC)cc1OC ZINC000619748756 1125690039 /nfs/dbraw/zinc/69/00/39/1125690039.db2.gz STWGAZUJJFSWJS-UHFFFAOYSA-N 0 1 362.882 4.241 20 30 FIEDMN N#Cc1cc(Br)ccc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000577546685 1079589203 /nfs/dbraw/zinc/58/92/03/1079589203.db2.gz ZDKHZHJQIOLJDF-UHFFFAOYSA-N 0 1 371.263 4.398 20 30 FIEDMN C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc2O1 ZINC000430144269 1079596302 /nfs/dbraw/zinc/59/63/02/1079596302.db2.gz CBRJVPNEBGXYPX-GOSISDBHSA-N 0 1 372.472 4.247 20 30 FIEDMN C=C(Cl)COc1ccc([C@@H](C)NCc2cccc(C(=O)NCC)c2)cc1 ZINC000160203409 1079603922 /nfs/dbraw/zinc/60/39/22/1079603922.db2.gz LNINANPXMSTZSJ-MRXNPFEDSA-N 0 1 372.896 4.418 20 30 FIEDMN O=C(COc1cc(Cl)ccc1Cl)Nc1nc(-c2ccco2)n[nH]1 ZINC000078868687 1079631543 /nfs/dbraw/zinc/63/15/43/1079631543.db2.gz ANJHDCNSOOKNIU-UHFFFAOYSA-N 0 1 353.165 4.039 20 30 FIEDMN Cc1[nH]c(-c2ccccc2)[nH+]c1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000605362805 1079767833 /nfs/dbraw/zinc/76/78/33/1079767833.db2.gz VBXDFTHSQGCRFR-HNNXBMFYSA-N 0 1 355.401 4.060 20 30 FIEDMN COc1sc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1Br ZINC000160243596 1080014405 /nfs/dbraw/zinc/01/44/05/1080014405.db2.gz JELRDEAQSPAFPO-HWKANZROSA-N 0 1 357.200 4.260 20 30 FIEDMN N#Cc1ccc(C2=CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)cc1 ZINC000535839922 1080153684 /nfs/dbraw/zinc/15/36/84/1080153684.db2.gz QVRZTCCEHONELL-UHFFFAOYSA-N 0 1 358.420 4.377 20 30 FIEDMN N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000134715794 1080351512 /nfs/dbraw/zinc/35/15/12/1080351512.db2.gz RHQXUZCDGSDEND-KRWDZBQOSA-N 0 1 358.401 4.132 20 30 FIEDMN Cc1cccc(CN2CCN(c3c(C#N)cnc4c(C)cccc43)CC2)c1 ZINC000610245563 1080554382 /nfs/dbraw/zinc/55/43/82/1080554382.db2.gz SSENPUFFUSAKMH-UHFFFAOYSA-N 0 1 356.473 4.046 20 30 FIEDMN C=CCCCCCCCCN1CCO[C@@]2(CCCN(C(=O)C(C)C)C2)C1 ZINC001209443985 1080705904 /nfs/dbraw/zinc/70/59/04/1080705904.db2.gz IZDAKORWWMZYNY-QFIPXVFZSA-N 0 1 364.574 4.253 20 30 FIEDMN C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C#N ZINC000043302886 1080718612 /nfs/dbraw/zinc/71/86/12/1080718612.db2.gz HORPNBOTJMCSTG-CHWSQXEVSA-N 0 1 361.367 4.255 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000247108017 1080807959 /nfs/dbraw/zinc/80/79/59/1080807959.db2.gz YEWAAPZNJUZTKR-BRWVUGGUSA-N 0 1 359.539 4.387 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C)CCC[C@H]1C ZINC000247108017 1080807966 /nfs/dbraw/zinc/80/79/66/1080807966.db2.gz YEWAAPZNJUZTKR-BRWVUGGUSA-N 0 1 359.539 4.387 20 30 FIEDMN N#CC(C(=O)c1ccc2ncccc2c1)c1nc(-c2ccncc2)cs1 ZINC000120060021 1080891322 /nfs/dbraw/zinc/89/13/22/1080891322.db2.gz NMPPAUNDMLRWRP-INIZCTEOSA-N 0 1 356.410 4.243 20 30 FIEDMN C#CCN(CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C1CCCCC1 ZINC001167273726 1080938187 /nfs/dbraw/zinc/93/81/87/1080938187.db2.gz QRFZFQIWLWWCHS-KRWDZBQOSA-N 0 1 352.478 4.220 20 30 FIEDMN COC(=O)c1cccc(CSc2nc(C)c(-c3ccccc3)[nH]2)c1C#N ZINC000547955236 1081194340 /nfs/dbraw/zinc/19/43/40/1081194340.db2.gz QWHZCUYWYCSRSM-UHFFFAOYSA-N 0 1 363.442 4.336 20 30 FIEDMN C[C@@H](NCc1cnn(Cc2ccccc2Cl)c1)c1cccc(C#N)c1 ZINC000610345025 1081500693 /nfs/dbraw/zinc/50/06/93/1081500693.db2.gz QHPNJJPRSMYMAX-OAHLLOKOSA-N 0 1 350.853 4.307 20 30 FIEDMN N#Cc1cccc(-c2nnc(CN3CCC[C@H](c4ccccc4)CC3)o2)c1 ZINC000610370187 1081553074 /nfs/dbraw/zinc/55/30/74/1081553074.db2.gz KVDKIRQPHFJUNC-IBGZPJMESA-N 0 1 358.445 4.378 20 30 FIEDMN N#Cc1c(NC[C@H](c2ccco2)N2CCCCC2)nc2cc(Cl)ccn12 ZINC000561104801 1081942402 /nfs/dbraw/zinc/94/24/02/1081942402.db2.gz AVKJJSXVWUJCHF-MRXNPFEDSA-N 0 1 369.856 4.091 20 30 FIEDMN N#CC[C@@H](C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccccc1 ZINC001125450784 1081966835 /nfs/dbraw/zinc/96/68/35/1081966835.db2.gz OVVVXWZHNZUJLL-VQIMIIECSA-N 0 1 360.417 4.050 20 30 FIEDMN C[C@@H]1CN(Cc2ccccc2)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC001167429708 1082077370 /nfs/dbraw/zinc/07/73/70/1082077370.db2.gz MUHGWQGBKBGPDT-GOSISDBHSA-N 0 1 372.434 4.263 20 30 FIEDMN CC(C)[C@@H](C#N)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001167434865 1082139629 /nfs/dbraw/zinc/13/96/29/1082139629.db2.gz XBYFATWEMPEUKN-HSZRJFAPSA-N 0 1 362.521 4.314 20 30 FIEDMN N#CC(=C([O-])c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1ccccn1 ZINC000430526655 1082228748 /nfs/dbraw/zinc/22/87/48/1082228748.db2.gz SQLPQHRDLBKGFK-LBPRGKRZSA-N 0 1 357.200 4.064 20 30 FIEDMN N#CC(C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1ccccn1 ZINC000430526655 1082228753 /nfs/dbraw/zinc/22/87/53/1082228753.db2.gz SQLPQHRDLBKGFK-LBPRGKRZSA-N 0 1 357.200 4.064 20 30 FIEDMN CC(C)(C)c1nc2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2[nH]1 ZINC000471633103 1082249161 /nfs/dbraw/zinc/24/91/61/1082249161.db2.gz IMBNDFZISVAZBE-INIZCTEOSA-N 0 1 371.444 4.053 20 30 FIEDMN O=C(C1CCCCC1)N1CC[C@@H](/N=C\c2cc(Cl)cc(Cl)c2O)C1 ZINC000255267243 1082313151 /nfs/dbraw/zinc/31/31/51/1082313151.db2.gz KEIVLXJTLOWAQP-IZBZYRJBSA-N 0 1 369.292 4.299 20 30 FIEDMN COc1ccc(CN[C@H]2CCOc3ccc(F)cc32)cc1OCCCC#N ZINC000068985431 1082499447 /nfs/dbraw/zinc/49/94/47/1082499447.db2.gz BVXWMDGONALVTA-SFHVURJKSA-N 0 1 370.424 4.130 20 30 FIEDMN CC(=O)Nc1ccc(C)c(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430587244 1082533034 /nfs/dbraw/zinc/53/30/34/1082533034.db2.gz YQJHFDHBIKNUQO-HNNXBMFYSA-N 0 1 355.463 4.198 20 30 FIEDMN CC(=O)Nc1ccc(C)c(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430587244 1082533035 /nfs/dbraw/zinc/53/30/35/1082533035.db2.gz YQJHFDHBIKNUQO-HNNXBMFYSA-N 0 1 355.463 4.198 20 30 FIEDMN Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000126594291 1082676293 /nfs/dbraw/zinc/67/62/93/1082676293.db2.gz VXQXUDDKRYROIU-GOSISDBHSA-N 0 1 372.432 4.021 20 30 FIEDMN Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000126594291 1082676297 /nfs/dbraw/zinc/67/62/97/1082676297.db2.gz VXQXUDDKRYROIU-GOSISDBHSA-N 0 1 372.432 4.021 20 30 FIEDMN CC(C)NC(=O)c1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430619457 1082723959 /nfs/dbraw/zinc/72/39/59/1082723959.db2.gz BGKRPTYAGZIBNT-HNNXBMFYSA-N 0 1 369.490 4.069 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCSC2(CCCCC2)C1 ZINC000430774437 1083165859 /nfs/dbraw/zinc/16/58/59/1083165859.db2.gz BUZNUFDMTVZDTP-GOSISDBHSA-N 0 1 371.550 4.073 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000610598337 1083254854 /nfs/dbraw/zinc/25/48/54/1083254854.db2.gz POLIZXWWOAITLM-UXHICEINSA-N 0 1 365.477 4.033 20 30 FIEDMN C=CCn1c(SCc2n[nH]c(C(C)(C)C)n2)nnc1-c1cccc(C)c1 ZINC000430979029 1083282356 /nfs/dbraw/zinc/28/23/56/1083282356.db2.gz MVXBSOHDARQOMM-UHFFFAOYSA-N 0 1 368.510 4.147 20 30 FIEDMN C=C(C)[C@H](CC(=O)Nc1cc(Br)cc(Cl)c1O)OCC ZINC000535656950 1083285693 /nfs/dbraw/zinc/28/56/93/1083285693.db2.gz WFUIXIYOPXQKMV-LBPRGKRZSA-N 0 1 362.651 4.118 20 30 FIEDMN N#CC(C(=O)c1ccc(Br)c(F)c1)c1nc(C2CC2)cs1 ZINC000647377302 1083372519 /nfs/dbraw/zinc/37/25/19/1083372519.db2.gz BZKHDCCENDXFCK-SNVBAGLBSA-N 0 1 365.227 4.412 20 30 FIEDMN C=CCN(Cc1c[nH]nc1-c1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000092504616 1083412978 /nfs/dbraw/zinc/41/29/78/1083412978.db2.gz FGXXIHHRXITHCX-UHFFFAOYSA-N 0 1 358.445 4.145 20 30 FIEDMN N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(C#N)c(O)c3)c2)cc1 ZINC000188277922 1083433748 /nfs/dbraw/zinc/43/37/48/1083433748.db2.gz NHIDMYCRWAMWBL-UHFFFAOYSA-N 0 1 355.353 4.180 20 30 FIEDMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C=Cc1ccc(Cl)nc1 ZINC000255717861 1083436331 /nfs/dbraw/zinc/43/63/31/1083436331.db2.gz HKQUBSMEGOENDY-LYASGUKUSA-N 0 1 363.804 4.130 20 30 FIEDMN N#Cc1cccc(NC(=O)CCN2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000610770870 1083474136 /nfs/dbraw/zinc/47/41/36/1083474136.db2.gz PUOVEEBFENZVMU-IBGZPJMESA-N 0 1 374.444 4.255 20 30 FIEDMN N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2)c1 ZINC000188368494 1083529698 /nfs/dbraw/zinc/52/96/98/1083529698.db2.gz ZIJTYOKLKWIZGR-UHFFFAOYSA-N 0 1 355.353 4.180 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(OC(C)C)cc2)c(C#N)c1C ZINC000179533073 1083553905 /nfs/dbraw/zinc/55/39/05/1083553905.db2.gz YRXZREJCXPUZGP-HUUCEWRRSA-N 0 1 369.465 4.233 20 30 FIEDMN CC(C)Oc1cccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000179671906 1083592207 /nfs/dbraw/zinc/59/22/07/1083592207.db2.gz SGSJZRIXOJUUOW-CQSZACIVSA-N 0 1 371.868 4.288 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(OC(C)C)c2)c(C#N)c1C ZINC000179680596 1083596908 /nfs/dbraw/zinc/59/69/08/1083596908.db2.gz DWLBCFNDGFEZHC-HUUCEWRRSA-N 0 1 369.465 4.233 20 30 FIEDMN COc1ccc(C#N)cc1CN[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179687692 1083598338 /nfs/dbraw/zinc/59/83/38/1083598338.db2.gz CHRGAZKDNRNTHI-QGZVFWFLSA-N 0 1 373.456 4.392 20 30 FIEDMN CCOc1ccccc1[C@H](CC)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000179734611 1083610710 /nfs/dbraw/zinc/61/07/10/1083610710.db2.gz GRJGYVCIZNSBCK-QAPCUYQASA-N 0 1 351.450 4.025 20 30 FIEDMN N#CCCCCNC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000458287525 1083817848 /nfs/dbraw/zinc/81/78/48/1083817848.db2.gz LEVUZMUFXRKZPI-MRXNPFEDSA-N 0 1 359.861 4.147 20 30 FIEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)CC(C)(C)CC(F)(F)F ZINC000892497893 1083823083 /nfs/dbraw/zinc/82/30/83/1083823083.db2.gz ZVIMWKOPRNADCH-GFCCVEGCSA-N 0 1 370.371 4.101 20 30 FIEDMN Cn1cc(CN2CCSC[C@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000179918644 1083890903 /nfs/dbraw/zinc/89/09/03/1083890903.db2.gz BLTDQXUMBRLASL-NRFANRHFSA-N 0 1 374.513 4.249 20 30 FIEDMN CCOC(=O)CCC1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000610997028 1083945474 /nfs/dbraw/zinc/94/54/74/1083945474.db2.gz QJJPLEUUASNPGQ-UHFFFAOYSA-N 0 1 367.411 4.112 20 30 FIEDMN CC(C)n1cc(C#N)c(=NC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)[nH]1 ZINC000548519920 1084018865 /nfs/dbraw/zinc/01/88/65/1084018865.db2.gz YXVDGAJGWWBQIO-UHFFFAOYSA-N 0 1 354.498 4.083 20 30 FIEDMN CCOc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)cc(Cl)c1OC ZINC000728438171 1084143302 /nfs/dbraw/zinc/14/33/02/1084143302.db2.gz BLPLCUWXQRLFAY-GQCTYLIASA-N 0 1 350.773 4.488 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000177715906 1084251178 /nfs/dbraw/zinc/25/11/78/1084251178.db2.gz UAMBTPANLLMNLF-OAHLLOKOSA-N 0 1 358.363 4.138 20 30 FIEDMN N#Cc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1Cl ZINC000548630251 1084364474 /nfs/dbraw/zinc/36/44/74/1084364474.db2.gz SAEPCSRERFIKQE-GFCCVEGCSA-N 0 1 370.746 4.447 20 30 FIEDMN N#Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1Cl ZINC000548630251 1084364485 /nfs/dbraw/zinc/36/44/85/1084364485.db2.gz SAEPCSRERFIKQE-GFCCVEGCSA-N 0 1 370.746 4.447 20 30 FIEDMN COCCOCc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000580378360 1084418873 /nfs/dbraw/zinc/41/88/73/1084418873.db2.gz HFKPAFBEMMRFGK-UHFFFAOYSA-N 0 1 362.473 4.011 20 30 FIEDMN CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC001167516730 1084427862 /nfs/dbraw/zinc/42/78/62/1084427862.db2.gz ISLSBTRCEOAFLO-SFHVURJKSA-N 0 1 369.534 4.437 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)NC1(C#N)CCCCC1 ZINC000066391211 1084430643 /nfs/dbraw/zinc/43/06/43/1084430643.db2.gz GYAMUGHQCCIJKF-KBPBESRZSA-N 0 1 367.415 4.087 20 30 FIEDMN CCOc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1F ZINC000580803255 1084480322 /nfs/dbraw/zinc/48/03/22/1084480322.db2.gz MYSBFJRDTKBQAN-UHFFFAOYSA-N 0 1 352.331 4.405 20 30 FIEDMN C[C@@H](NCc1cc(F)cc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000539608384 1084626384 /nfs/dbraw/zinc/62/63/84/1084626384.db2.gz JBGUQOCDNQFNTL-SNVBAGLBSA-N 0 1 351.194 4.450 20 30 FIEDMN N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000024154209 1084655934 /nfs/dbraw/zinc/65/59/34/1084655934.db2.gz NMKVEDRFQBBWQG-IBGZPJMESA-N 0 1 370.840 4.369 20 30 FIEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)[nH]1 ZINC000472556072 1084843317 /nfs/dbraw/zinc/84/33/17/1084843317.db2.gz ADNHLZXPVVICQX-MRXNPFEDSA-N 0 1 374.444 4.150 20 30 FIEDMN N#Cc1ccc2ncc(CN3CCC[C@@H]3Cc3ccccc3Cl)n2c1 ZINC000511110576 1084946710 /nfs/dbraw/zinc/94/67/10/1084946710.db2.gz VPGFLHLCSWJCAO-QGZVFWFLSA-N 0 1 350.853 4.066 20 30 FIEDMN CCCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](CC)c1ccccc1 ZINC000478420443 1084946880 /nfs/dbraw/zinc/94/68/80/1084946880.db2.gz XIQQTVCSHLUSML-NRFANRHFSA-N 0 1 370.518 4.195 20 30 FIEDMN N#Cc1ccccc1CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000054394351 1084997530 /nfs/dbraw/zinc/99/75/30/1084997530.db2.gz LSQZIGOGSWNJIO-UHFFFAOYSA-N 0 1 371.278 4.116 20 30 FIEDMN N#CC(C(=O)C=Cc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)cs1 ZINC000255904386 1085045278 /nfs/dbraw/zinc/04/52/78/1085045278.db2.gz VSWKRHYNFPXYQR-IOBAAEILSA-N 0 1 374.421 4.428 20 30 FIEDMN CC(C)CN(CCC#N)CCCC(=O)c1ccc(Br)cc1 ZINC000049800737 1085210824 /nfs/dbraw/zinc/21/08/24/1085210824.db2.gz FLOFETZUVPBBCL-UHFFFAOYSA-N 0 1 351.288 4.284 20 30 FIEDMN C=CC[C@@H]1CCCN(Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)C1 ZINC000661382771 1085540993 /nfs/dbraw/zinc/54/09/93/1085540993.db2.gz XLFKSIJUZYBCLK-QGZVFWFLSA-N 0 1 369.534 4.421 20 30 FIEDMN COc1ccc(CN2C[C@@H](C)OC3(CCCCC3)C2)cc1OCCCC#N ZINC000594613257 1085564031 /nfs/dbraw/zinc/56/40/31/1085564031.db2.gz BJJOKNOOSCJFNR-GOSISDBHSA-N 0 1 372.509 4.301 20 30 FIEDMN CCn1nc(C)c(CNCc2cccc(OCc3ccccc3C#N)c2)c1C ZINC000066905855 1085761273 /nfs/dbraw/zinc/76/12/73/1085761273.db2.gz FNFZTJCSUWPKTG-UHFFFAOYSA-N 0 1 374.488 4.260 20 30 FIEDMN COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1OCc1ccccc1 ZINC000597172519 1085851781 /nfs/dbraw/zinc/85/17/81/1085851781.db2.gz BXIWIGZSIPNCNZ-GOSISDBHSA-N 0 1 350.462 4.400 20 30 FIEDMN COc1cc(CN2CCC[C@H](CC#N)C2)ccc1OCc1ccccc1 ZINC000597172519 1085851793 /nfs/dbraw/zinc/85/17/93/1085851793.db2.gz BXIWIGZSIPNCNZ-GOSISDBHSA-N 0 1 350.462 4.400 20 30 FIEDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n[nH]1 ZINC000161453090 1085917274 /nfs/dbraw/zinc/91/72/74/1085917274.db2.gz WUJAPEAGXUTAIR-OAHLLOKOSA-N 0 1 374.444 4.052 20 30 FIEDMN N#C[C@@H](c1ccccc1)N1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC001167785373 1085958175 /nfs/dbraw/zinc/95/81/75/1085958175.db2.gz WGHNKWFHLZBYPH-NRFANRHFSA-N 0 1 353.897 4.155 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)[nH]c2c1 ZINC000583130309 1086248993 /nfs/dbraw/zinc/24/89/93/1086248993.db2.gz JZWQPEIIBXOOBO-UEXGIBASSA-N 0 1 370.456 4.210 20 30 FIEDMN CC(C)[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1F ZINC000585767318 1086692901 /nfs/dbraw/zinc/69/29/01/1086692901.db2.gz MMMZOMFUBKJCGM-IBGZPJMESA-N 0 1 356.832 4.485 20 30 FIEDMN Cc1cc(N[C@H]2CC[C@H](C#N)CC2)nc2c1CN(Cc1ccccc1)CC2 ZINC001167841565 1086734835 /nfs/dbraw/zinc/73/48/35/1086734835.db2.gz YIAGLAWMLULXTG-KESTWPANSA-N 0 1 360.505 4.443 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1sccc1SC(F)F ZINC000107407967 1086798801 /nfs/dbraw/zinc/79/88/01/1086798801.db2.gz IEWYOPZEVRZMFF-VIFPVBQESA-N 0 1 363.414 4.440 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1sccc1SC(F)F ZINC000107407967 1086798805 /nfs/dbraw/zinc/79/88/05/1086798805.db2.gz IEWYOPZEVRZMFF-VIFPVBQESA-N 0 1 363.414 4.440 20 30 FIEDMN CC1(C)CC[C@@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000781765637 1086811419 /nfs/dbraw/zinc/81/14/19/1086811419.db2.gz KNRIGUVSDNDXGF-QMTHXVAHSA-N 0 1 353.249 4.467 20 30 FIEDMN C[C@@H]1[C@H](Cc2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000472309570 1087125420 /nfs/dbraw/zinc/12/54/20/1087125420.db2.gz CDTSSQNCBBVWQP-WBVHZDCISA-N 0 1 367.880 4.103 20 30 FIEDMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000584103770 1087175259 /nfs/dbraw/zinc/17/52/59/1087175259.db2.gz MTYKQIWMVVOTKG-OAHLLOKOSA-N 0 1 367.880 4.010 20 30 FIEDMN N#CC(C(=O)c1cncc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000151637619 1087183030 /nfs/dbraw/zinc/18/30/30/1087183030.db2.gz WXDXSLUPECBGDU-AWEZNQCLSA-N 0 1 357.797 4.488 20 30 FIEDMN COc1ccc(C[C@H](NC[C@@H](C#N)CCC#N)c2ccccc2)cc1OC ZINC000584167671 1087198574 /nfs/dbraw/zinc/19/85/74/1087198574.db2.gz CJQAZTNQHZBXRF-QUCCMNQESA-N 0 1 363.461 4.021 20 30 FIEDMN N#Cc1ccccc1CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179093272 1087411412 /nfs/dbraw/zinc/41/14/12/1087411412.db2.gz SSCMXICQROJVFM-AWEZNQCLSA-N 0 1 351.397 4.413 20 30 FIEDMN C[C@@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(C#N)cc1 ZINC000093350846 1087460740 /nfs/dbraw/zinc/46/07/40/1087460740.db2.gz ZHQWIMDPENLEDW-SNVBAGLBSA-N 0 1 355.348 4.255 20 30 FIEDMN N#Cc1cc(NC(=O)[C@@H]2CCCc3[nH]ncc32)ccc1Oc1ccccc1 ZINC000188126914 1087698506 /nfs/dbraw/zinc/69/85/06/1087698506.db2.gz UGZAHEHMCLXOOX-QGZVFWFLSA-N 0 1 358.401 4.132 20 30 FIEDMN N#C[C@H]1CC[C@@H](NCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000424193628 1087836699 /nfs/dbraw/zinc/83/66/99/1087836699.db2.gz KJHBTEIGGAXARY-SMDDNHRTSA-N 0 1 362.296 4.354 20 30 FIEDMN N#Cc1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccsc2)s1 ZINC000180583931 1087972609 /nfs/dbraw/zinc/97/26/09/1087972609.db2.gz NRCZRWFNZQKYLZ-IBGZPJMESA-N 0 1 354.500 4.417 20 30 FIEDMN COc1ccc(C#N)cc1CN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180949237 1088186210 /nfs/dbraw/zinc/18/62/10/1088186210.db2.gz PGPIRVCOYQXKAI-ZDUSSCGKSA-N 0 1 364.367 4.359 20 30 FIEDMN CCOc1ccc([C@H](C)NCc2cc(C#N)ccc2OC)cc1OCC ZINC000181387325 1088404710 /nfs/dbraw/zinc/40/47/10/1088404710.db2.gz FTIRUIBGVVTIJW-HNNXBMFYSA-N 0 1 354.450 4.215 20 30 FIEDMN CCOc1ccc([C@H](C)NCc2ccc(C#N)cc2OC)cc1OCC ZINC000181390269 1088405010 /nfs/dbraw/zinc/40/50/10/1088405010.db2.gz TVNNQTIQDMDGHI-HNNXBMFYSA-N 0 1 354.450 4.215 20 30 FIEDMN N#Cc1ccc2nc(-c3ccc(-n4ccc(C(F)(F)F)n4)cc3)[nH]c2c1 ZINC000513857829 1088471644 /nfs/dbraw/zinc/47/16/44/1088471644.db2.gz QVVFEXBZHAVWNO-UHFFFAOYSA-N 0 1 353.307 4.306 20 30 FIEDMN C#Cc1cccc(N(C(=O)c2ccc(CN3CCCCC3)o2)C(C)C)c1 ZINC001125842615 1088624783 /nfs/dbraw/zinc/62/47/83/1088624783.db2.gz RDERSOAEFPJKAH-UHFFFAOYSA-N 0 1 350.462 4.302 20 30 FIEDMN COc1ccc(-c2n[nH]c(S[C@@H](C)c3cccc(C#N)c3)n2)c(OC)c1 ZINC000189839443 1088651068 /nfs/dbraw/zinc/65/10/68/1088651068.db2.gz BMUSOHFZLRHJGT-LBPRGKRZSA-N 0 1 366.446 4.214 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@H](c2ccc(F)cc2)C(C)C)c(C#N)c1C ZINC000434621751 1088844846 /nfs/dbraw/zinc/84/48/46/1088844846.db2.gz WUAKRTNDXOOPOJ-IBGZPJMESA-N 0 1 357.429 4.175 20 30 FIEDMN CCc1ccc(-c2noc([C@@H](C)NCCCC3(C#N)CCOCC3)n2)cc1 ZINC000281412163 1088992067 /nfs/dbraw/zinc/99/20/67/1088992067.db2.gz RDLHYKSMTIEBJO-MRXNPFEDSA-N 0 1 368.481 4.050 20 30 FIEDMN CCSc1ccc([C@H](C)N[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000434873465 1089082517 /nfs/dbraw/zinc/08/25/17/1089082517.db2.gz JWHDRKOIYQJJMO-SUMWQHHRSA-N 0 1 371.531 4.188 20 30 FIEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000514683877 1089335996 /nfs/dbraw/zinc/33/59/96/1089335996.db2.gz KRQSUZZEWAPJBY-PWRODBHTSA-N 0 1 354.881 4.015 20 30 FIEDMN C=CCCCCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472772301 1089411067 /nfs/dbraw/zinc/41/10/67/1089411067.db2.gz UOAUXKGZLMWNEY-CRAIPNDOSA-N 0 1 367.896 4.127 20 30 FIEDMN CCCCOCC(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000118600133 1089551600 /nfs/dbraw/zinc/55/16/00/1089551600.db2.gz MSOBKWJQEKLQMM-LLVKDONJSA-N 0 1 350.390 4.081 20 30 FIEDMN CC(C)Oc1ccc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc1C#N ZINC000435355465 1089563561 /nfs/dbraw/zinc/56/35/61/1089563561.db2.gz UQAQXKCQTMBJSR-UHFFFAOYSA-N 0 1 352.419 4.049 20 30 FIEDMN COCCOc1ccc(CNCc2cccc(-c3ccc(C#N)s3)c2)o1 ZINC000892988556 1089575626 /nfs/dbraw/zinc/57/56/26/1089575626.db2.gz HZXVVVUUUBFNRL-UHFFFAOYSA-N 0 1 368.458 4.195 20 30 FIEDMN N#Cc1ccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c(C(F)(F)F)c1 ZINC000425376960 1089645607 /nfs/dbraw/zinc/64/56/07/1089645607.db2.gz YYHNYFGHOJEFRR-SFHVURJKSA-N 0 1 364.411 4.358 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 ZINC000728711959 1089809139 /nfs/dbraw/zinc/80/91/39/1089809139.db2.gz PUYPSROBLFSSQU-LPTQZCDUSA-N 0 1 354.425 4.126 20 30 FIEDMN C=CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000515290326 1089951097 /nfs/dbraw/zinc/95/10/97/1089951097.db2.gz KNERVEYFXVOWPL-FQEVSTJZSA-N 0 1 367.493 4.204 20 30 FIEDMN N#Cc1ccc(Nc2cccc(C(=O)N3CCC(c4cnc[nH]4)CC3)c2)cc1 ZINC000378081244 1090087978 /nfs/dbraw/zinc/08/79/78/1090087978.db2.gz XKDAUXWQXDUTRY-UHFFFAOYSA-N 0 1 371.444 4.045 20 30 FIEDMN CC[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1sccc1C#N ZINC000123322929 1090554691 /nfs/dbraw/zinc/55/46/91/1090554691.db2.gz ILQRTLKCFJXQKI-ROUUACIJSA-N 0 1 353.491 4.216 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000418145186 1091078884 /nfs/dbraw/zinc/07/88/84/1091078884.db2.gz MFVJFZFZFIKMFS-QGZVFWFLSA-N 0 1 373.359 4.235 20 30 FIEDMN Cc1cc(O[C@H](C)C(=O)Nc2nc(-c3ccccn3)n[nH]2)ccc1C(C)C ZINC000053528174 1091121172 /nfs/dbraw/zinc/12/11/72/1091121172.db2.gz KHKBBHILOHXJCN-CQSZACIVSA-N 0 1 365.437 4.354 20 30 FIEDMN CC(=O)CCCCCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000123647233 1091198437 /nfs/dbraw/zinc/19/84/37/1091198437.db2.gz USJZLKHSVIHCNA-CQSZACIVSA-N 0 1 366.820 4.056 20 30 FIEDMN C#CCOc1ccc(CNCc2cn(-c3ccccc3)nc2C(C)C)cc1 ZINC000759843336 1091301310 /nfs/dbraw/zinc/30/13/10/1091301310.db2.gz SKPMMTFISOVZCQ-UHFFFAOYSA-N 0 1 359.473 4.298 20 30 FIEDMN N#Cc1ccc(C2=CCN(C[C@H](O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000759853463 1091326744 /nfs/dbraw/zinc/32/67/44/1091326744.db2.gz VAZZZFRIBIWUFL-FQEVSTJZSA-N 0 1 356.828 4.173 20 30 FIEDMN C=CCOc1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000511737062 1091578981 /nfs/dbraw/zinc/57/89/81/1091578981.db2.gz YRMMIOXOBLZBFX-UHFFFAOYSA-N 0 1 357.353 4.071 20 30 FIEDMN C[C@H](C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(F)(F)F ZINC000511743878 1091601942 /nfs/dbraw/zinc/60/19/42/1091601942.db2.gz YFFVZXRMESUUCE-MUWHJKNJSA-N 0 1 365.220 4.206 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)n[nH]2)cc1C ZINC000187235397 1091853249 /nfs/dbraw/zinc/85/32/49/1091853249.db2.gz GYNRVDQATZLELQ-OAHLLOKOSA-N 0 1 355.401 4.060 20 30 FIEDMN COc1c(Br)cc(F)cc1Nc1cc(C#N)c(F)cc1O ZINC001211715319 1092143681 /nfs/dbraw/zinc/14/36/81/1092143681.db2.gz QNOOCPHOFWGNAN-UHFFFAOYSA-N 0 1 355.138 4.057 20 30 FIEDMN N#CC(C(=O)c1ccc(OCc2ccccn2)cc1)c1nc2ccccc2o1 ZINC000442677721 1092718297 /nfs/dbraw/zinc/71/82/97/1092718297.db2.gz IHZGBQXWNHTZRY-GOSISDBHSA-N 0 1 369.380 4.292 20 30 FIEDMN N#C[C@H](C(=O)c1ccc(OCc2ccccn2)cc1)c1nc2ccccc2o1 ZINC000442677721 1092718307 /nfs/dbraw/zinc/71/83/07/1092718307.db2.gz IHZGBQXWNHTZRY-GOSISDBHSA-N 0 1 369.380 4.292 20 30 FIEDMN CC(C)(C)c1cc(NC(=O)c2ccc(C#N)c(O)c2)n(Cc2ccccc2)n1 ZINC000442951214 1092869776 /nfs/dbraw/zinc/86/97/76/1092869776.db2.gz ANFCGFJMYCIMQA-UHFFFAOYSA-N 0 1 374.444 4.058 20 30 FIEDMN Cc1ccc(-c2nc(NC(=O)c3ccc(C#N)c(O)c3)sc2C)s1 ZINC000442964500 1092892559 /nfs/dbraw/zinc/89/25/59/1092892559.db2.gz IJGKVUMBHNLCHH-UHFFFAOYSA-N 0 1 355.444 4.318 20 30 FIEDMN CCCN(Cc1ccc(C#N)c(OC)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000443067039 1092926865 /nfs/dbraw/zinc/92/68/65/1092926865.db2.gz KVPFHVYMRNCBGO-KRWDZBQOSA-N 0 1 365.477 4.115 20 30 FIEDMN Cc1ccc(NC(=O)CN(Cc2ccc(C#N)cc2)CC(C)C)c(F)c1 ZINC000521821497 1092939381 /nfs/dbraw/zinc/93/93/81/1092939381.db2.gz GREFREKSYUBMOZ-UHFFFAOYSA-N 0 1 353.441 4.103 20 30 FIEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000190327166 1093006756 /nfs/dbraw/zinc/00/67/56/1093006756.db2.gz YEQNRUPCQSCENJ-UHFFFAOYSA-N 0 1 359.209 4.113 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccc(C#N)cc1F ZINC000512658921 1093096222 /nfs/dbraw/zinc/09/62/22/1093096222.db2.gz AZPMXIUMYPRTQW-UONOGXRCSA-N 0 1 366.440 4.393 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](c2ccccc2)C1 ZINC000433059569 1093179123 /nfs/dbraw/zinc/17/91/23/1093179123.db2.gz ULJXFVXNYDNXLG-FPOVZHCZSA-N 0 1 361.489 4.201 20 30 FIEDMN CCOc1ccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512818194 1093400848 /nfs/dbraw/zinc/40/08/48/1093400848.db2.gz QCTLHXJNKKEEAI-UHFFFAOYSA-N 0 1 354.425 4.139 20 30 FIEDMN N#Cc1ccc(OC2CCN(Cc3cnc4ccccc4c3)CC2)c(F)c1 ZINC000512824964 1093402568 /nfs/dbraw/zinc/40/25/68/1093402568.db2.gz ZPGHIGKCZPUAMR-UHFFFAOYSA-N 0 1 361.420 4.289 20 30 FIEDMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@H](C#N)CCc2ccccc2)[nH]1 ZINC000433303765 1093559042 /nfs/dbraw/zinc/55/90/42/1093559042.db2.gz LSXWNYRWNOPSAR-KRWDZBQOSA-N 0 1 373.460 4.306 20 30 FIEDMN N#Cc1ccccc1-c1ccc(CNCc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433315806 1093587824 /nfs/dbraw/zinc/58/78/24/1093587824.db2.gz FZEGKTLWDLWEBL-UHFFFAOYSA-N 0 1 354.413 4.498 20 30 FIEDMN COc1ccc(Cl)cc1-c1n[nH]c(SCC#Cc2ccc(F)cc2)n1 ZINC000433388921 1093658399 /nfs/dbraw/zinc/65/83/99/1093658399.db2.gz WDHCIMGUTVIGKB-UHFFFAOYSA-N 0 1 373.840 4.417 20 30 FIEDMN N#CC(C(=O)c1cccc(-n2cccc2)c1)c1nc(-c2ccncc2)cs1 ZINC000114620575 1093659738 /nfs/dbraw/zinc/65/97/38/1093659738.db2.gz AXPUDBWEEPKLTF-GOSISDBHSA-N 0 1 370.437 4.486 20 30 FIEDMN C=CCOc1c(Br)cc(CNCc2ccoc2C)cc1OC ZINC000067218233 1093700068 /nfs/dbraw/zinc/70/00/68/1093700068.db2.gz GORZDBZTMGFJQJ-UHFFFAOYSA-N 0 1 366.255 4.214 20 30 FIEDMN C=CCOc1cc(OC)ccc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474447316 1093793332 /nfs/dbraw/zinc/79/33/32/1093793332.db2.gz QIEPDHNRAOHUNW-UHFFFAOYSA-N 0 1 351.761 4.010 20 30 FIEDMN C#CCOc1ccc(CN[C@@H](COC)c2cccc(C(F)(F)F)c2)cc1 ZINC000237073174 1093819026 /nfs/dbraw/zinc/81/90/26/1093819026.db2.gz RRJKUIUPPGMIBM-IBGZPJMESA-N 0 1 363.379 4.195 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000513209004 1094007071 /nfs/dbraw/zinc/00/70/71/1094007071.db2.gz DJWPIOGNKIZUJS-RDJZCZTQSA-N 0 1 369.534 4.358 20 30 FIEDMN CCN(CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000513391549 1094093737 /nfs/dbraw/zinc/09/37/37/1094093737.db2.gz DDJZFPZZWZKPEO-INIZCTEOSA-N 0 1 361.445 4.004 20 30 FIEDMN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)s1 ZINC000182732684 1094163074 /nfs/dbraw/zinc/16/30/74/1094163074.db2.gz RJKYFJCEMUZMPF-SWLSCSKDSA-N 0 1 359.882 4.119 20 30 FIEDMN COc1ccc(CN2CCc3ccccc3[C@H]2C)cc1OCCCC#N ZINC000513701916 1094385074 /nfs/dbraw/zinc/38/50/74/1094385074.db2.gz BIJFQEDXUHJBEI-QGZVFWFLSA-N 0 1 350.462 4.497 20 30 FIEDMN CC(C)(C)c1nc[nH]c1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001625923780 1094385885 /nfs/dbraw/zinc/38/58/85/1094385885.db2.gz QWCOOXDCNUANLS-UHFFFAOYSA-N 0 1 361.405 4.018 20 30 FIEDMN COc1ccc2[nH]cc(C3=CCN(Cc4ccc(C#N)cc4OC)CC3)c2c1 ZINC000501206579 1094559892 /nfs/dbraw/zinc/55/98/92/1094559892.db2.gz CVHMTZFYNALDIF-UHFFFAOYSA-N 0 1 373.456 4.346 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2ccccc2NC(=O)c2cccs2)n1 ZINC000041516518 1094642871 /nfs/dbraw/zinc/64/28/71/1094642871.db2.gz CAIRICWKLGGHTC-ZDUSSCGKSA-N 0 1 367.455 4.255 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2NC(=O)c2cccs2)n1 ZINC000041516518 1094642879 /nfs/dbraw/zinc/64/28/79/1094642879.db2.gz CAIRICWKLGGHTC-ZDUSSCGKSA-N 0 1 367.455 4.255 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc(C)n1 ZINC000501379105 1094670636 /nfs/dbraw/zinc/67/06/36/1094670636.db2.gz ZVZSIIBVKFSSBX-INIZCTEOSA-N 0 1 363.442 4.321 20 30 FIEDMN CC(C)c1cc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)nn1C(C)(C)C ZINC000329026154 1094715809 /nfs/dbraw/zinc/71/58/09/1094715809.db2.gz OAHXEPJNRAPAPX-IEBWSBKVSA-N 0 1 368.525 4.164 20 30 FIEDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@@H]1CCCCO1 ZINC000329111596 1094743783 /nfs/dbraw/zinc/74/37/83/1094743783.db2.gz QXRDRJBDAOZIIH-NSHDSACASA-N 0 1 363.286 4.374 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000329286146 1094819311 /nfs/dbraw/zinc/81/93/11/1094819311.db2.gz OPPLVMQZHTUGFN-QZTJIDSGSA-N 0 1 354.429 4.066 20 30 FIEDMN C[C@H](Nc1cccc(NC(=O)CN2CCCCCC2)c1)[C@@H]1CCCOC1 ZINC000329339461 1094847427 /nfs/dbraw/zinc/84/74/27/1094847427.db2.gz NSDRYKVLIQUVFM-ZWKOTPCHSA-N 0 1 359.514 4.378 20 30 FIEDMN COc1ccccc1C[C@H](C)N(C)Cc1cc(Br)ccc1C#N ZINC001141905071 1094863729 /nfs/dbraw/zinc/86/37/29/1094863729.db2.gz PKAYPRRZQZAIJM-AWEZNQCLSA-N 0 1 373.294 4.392 20 30 FIEDMN O=C(Nc1nc2c(s1)CCCC2)N1CCCn2c(cc3ccccc32)C1 ZINC000329456219 1094915756 /nfs/dbraw/zinc/91/57/56/1094915756.db2.gz MWEBBKZQZOBKNV-UHFFFAOYSA-N 0 1 366.490 4.428 20 30 FIEDMN Cc1cc(NC(=O)[C@H]2CCCc3[nH]ncc32)cnc1N1CCCC[C@H]1C ZINC000329502071 1094942570 /nfs/dbraw/zinc/94/25/70/1094942570.db2.gz KPUPSXJEQSKLFY-ZBFHGGJFSA-N 0 1 353.470 4.200 20 30 FIEDMN COc1ccc(C)cc1CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000609598471 1095005946 /nfs/dbraw/zinc/00/59/46/1095005946.db2.gz MZKMWXDUJPYXBT-UHFFFAOYSA-N 0 1 360.461 4.071 20 30 FIEDMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@H]1CCCCC12CCCC2 ZINC000329642205 1095050018 /nfs/dbraw/zinc/05/00/18/1095050018.db2.gz YFQLQHCTVDSHMX-FQEVSTJZSA-N 0 1 370.541 4.053 20 30 FIEDMN COc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c(OC(F)F)c1 ZINC000475027603 1095202520 /nfs/dbraw/zinc/20/25/20/1095202520.db2.gz CPGXTDQTVKSPBJ-LBPRGKRZSA-N 0 1 374.368 4.396 20 30 FIEDMN COc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)c(OC(F)F)c1 ZINC000475027603 1095202531 /nfs/dbraw/zinc/20/25/31/1095202531.db2.gz CPGXTDQTVKSPBJ-LBPRGKRZSA-N 0 1 374.368 4.396 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCC[C@@H]3CCO[C@@H](C)C3)[nH]c2c1 ZINC000329749055 1095248744 /nfs/dbraw/zinc/24/87/44/1095248744.db2.gz HFARRLOCMSTHAI-FCEWJHQRSA-N 0 1 370.497 4.127 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000329919550 1095315874 /nfs/dbraw/zinc/31/58/74/1095315874.db2.gz RRWBHTPEAPATEH-SFHVURJKSA-N 0 1 372.419 4.159 20 30 FIEDMN C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000330015642 1095351155 /nfs/dbraw/zinc/35/11/55/1095351155.db2.gz OHMWFZQWCQBACW-HTQZYQBOSA-N 0 1 360.635 4.401 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H](NC(=O)N(C)Cc1ccc(Cl)s1)CC2 ZINC000330039472 1095359325 /nfs/dbraw/zinc/35/93/25/1095359325.db2.gz BUVJKEJQAANNMA-ZDUSSCGKSA-N 0 1 366.918 4.082 20 30 FIEDMN Cc1ccc([C@@H]2CCCN2C([O-])=[NH+][C@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000330108294 1095381203 /nfs/dbraw/zinc/38/12/03/1095381203.db2.gz NLOCSOBDSZAKIE-PMACEKPBSA-N 0 1 366.509 4.381 20 30 FIEDMN C=CCN(CC1CCCCC1)C([O-])=[NH+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000330107542 1095381395 /nfs/dbraw/zinc/38/13/95/1095381395.db2.gz MHELSUOUEMUKDC-LJQANCHMSA-N 0 1 358.530 4.304 20 30 FIEDMN O=C(Nc1ccc2nc(C3CC3)sc2c1)N[C@H]1CCCc2cn[nH]c21 ZINC000330103339 1095381515 /nfs/dbraw/zinc/38/15/15/1095381515.db2.gz GGOAFHCPXUBNHI-AWEZNQCLSA-N 0 1 353.451 4.110 20 30 FIEDMN Cn1c(C(=O)N[C@H]2CCCc3cn[nH]c32)cc2cc(C(F)(F)F)ccc21 ZINC000330100227 1095381954 /nfs/dbraw/zinc/38/19/54/1095381954.db2.gz DSGAFZTZQVFHMT-ZDUSSCGKSA-N 0 1 362.355 4.302 20 30 FIEDMN CC(C)(C)Cc1nc2cc(NC(=O)N[C@H]3CCCc4cn[nH]c43)ccc2o1 ZINC000330143563 1095391665 /nfs/dbraw/zinc/39/16/65/1095391665.db2.gz ZAERQNPTIJCIGX-AWEZNQCLSA-N 0 1 367.453 4.352 20 30 FIEDMN O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)N1CCC(c2cnc[nH]2)CC1 ZINC000330188064 1095409241 /nfs/dbraw/zinc/40/92/41/1095409241.db2.gz UEWIXWZFUONAJX-RTBURBONSA-N 0 1 352.482 4.230 20 30 FIEDMN Cc1cc(F)ccc1C1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000330233103 1095426759 /nfs/dbraw/zinc/42/67/59/1095426759.db2.gz XUCYJDUQJHESPT-SFHVURJKSA-N 0 1 356.445 4.028 20 30 FIEDMN N#Cc1ccc(CNCc2cccc(NC(=O)C3CCCC3)c2)cc1F ZINC000421331564 1095529025 /nfs/dbraw/zinc/52/90/25/1095529025.db2.gz KDPKUZLPFAEJMC-UHFFFAOYSA-N 0 1 351.425 4.116 20 30 FIEDMN CCCOc1ccc(Br)cc1CNCc1ccc(C#N)s1 ZINC000421356601 1095545607 /nfs/dbraw/zinc/54/56/07/1095545607.db2.gz XQZSKGYHILACJD-UHFFFAOYSA-N 0 1 365.296 4.461 20 30 FIEDMN CC[C@H]1C[C@@]1(NCC(=O)N(CCC#N)c1ccccc1)c1cccc(C)c1 ZINC000502545352 1095571021 /nfs/dbraw/zinc/57/10/21/1095571021.db2.gz XBZTWUNCPGRATF-CVDCTZTESA-N 0 1 361.489 4.157 20 30 FIEDMN N#CC(C(=O)c1cnccc1Oc1ccccc1)c1cnc2ccccc2n1 ZINC000502741199 1095758400 /nfs/dbraw/zinc/75/84/00/1095758400.db2.gz PORSFVGQPQMTIX-INIZCTEOSA-N 0 1 366.380 4.307 20 30 FIEDMN N#CC(C(=O)Nc1nc2c(s1)CCCC2)c1nc2cc(F)ccc2s1 ZINC000609627598 1095932704 /nfs/dbraw/zinc/93/27/04/1095932704.db2.gz SDKMHMSTLYZTFT-JTQLQIEISA-N 0 1 372.450 4.017 20 30 FIEDMN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccc(F)cc1Cl ZINC000183780722 1096179566 /nfs/dbraw/zinc/17/95/66/1096179566.db2.gz IZDKBKUENQVVDU-SNVBAGLBSA-N 0 1 351.834 4.092 20 30 FIEDMN C=C(C)CN(CC)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000058754380 1096179788 /nfs/dbraw/zinc/17/97/88/1096179788.db2.gz NSTHWYPQERCEDV-UHFFFAOYSA-N 0 1 350.506 4.223 20 30 FIEDMN N#Cc1ccc(C2=CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1 ZINC000504012294 1096637304 /nfs/dbraw/zinc/63/73/04/1096637304.db2.gz BDGUXFVQQQXJQS-UHFFFAOYSA-N 0 1 372.403 4.017 20 30 FIEDMN N#Cc1ccc(C2(C(=O)Nc3ccc4nc(-c5ccco5)[nH]c4c3)CC2)cc1 ZINC000436059557 1098688880 /nfs/dbraw/zinc/68/88/80/1098688880.db2.gz LFIXVBMSLUUPRB-UHFFFAOYSA-N 0 1 368.396 4.365 20 30 FIEDMN N#Cc1cc(S(=O)(=O)Nc2cccnc2-c2ccccc2)ccc1Cl ZINC000533165204 1098836385 /nfs/dbraw/zinc/83/63/85/1098836385.db2.gz KOJOUIQFTXZFMM-UHFFFAOYSA-N 0 1 369.833 4.074 20 30 FIEDMN CC(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000533402107 1099011867 /nfs/dbraw/zinc/01/18/67/1099011867.db2.gz YBGXHNMIIXQTEH-IAGOWNOFSA-N 0 1 359.539 4.387 20 30 FIEDMN CC(C)C[C@H]1CCCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000533402107 1099011878 /nfs/dbraw/zinc/01/18/78/1099011878.db2.gz YBGXHNMIIXQTEH-IAGOWNOFSA-N 0 1 359.539 4.387 20 30 FIEDMN N#Cc1cccc(COc2ccc(NC(=O)c3c(O)cccc3F)cc2)c1 ZINC000436989938 1099495196 /nfs/dbraw/zinc/49/51/96/1099495196.db2.gz PRWFCWVABXJMOR-UHFFFAOYSA-N 0 1 362.360 4.234 20 30 FIEDMN COc1cccc(NC2CCN(CC#Cc3cccc(Cl)c3)CC2)c1 ZINC000437581749 1100008192 /nfs/dbraw/zinc/00/81/92/1100008192.db2.gz XBQHVLYZPCSGGW-UHFFFAOYSA-N 0 1 354.881 4.277 20 30 FIEDMN C=CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccco1 ZINC000476013855 1100018576 /nfs/dbraw/zinc/01/85/76/1100018576.db2.gz UKVJXCHJUHEGHO-RXVVDRJESA-N 0 1 354.494 4.297 20 30 FIEDMN COc1ccc(OC)c([C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000536874521 1100395484 /nfs/dbraw/zinc/39/54/84/1100395484.db2.gz CJLQIVZGLBBCJE-CQSZACIVSA-N 0 1 363.379 4.425 20 30 FIEDMN Cc1sc(NC(=O)CN[C@H](C)c2cccc(C3CC3)c2)c(C#N)c1C ZINC000517505788 1100440965 /nfs/dbraw/zinc/44/09/65/1100440965.db2.gz QETBKKGBBIKJGS-CYBMUJFWSA-N 0 1 353.491 4.403 20 30 FIEDMN C=CCOc1ccc(CNCC(=O)N(CC)Cc2ccccc2)cc1Cl ZINC000518273419 1101057324 /nfs/dbraw/zinc/05/73/24/1101057324.db2.gz WVWRPWGDUSJOAW-UHFFFAOYSA-N 0 1 372.896 4.043 20 30 FIEDMN C=C(C)CN(CC)C(=O)NC[C@H](c1ccccc1Cl)N(CC)CC ZINC000518460101 1101220660 /nfs/dbraw/zinc/22/06/60/1101220660.db2.gz FWBPQUSUMIWSGV-GOSISDBHSA-N 0 1 351.922 4.331 20 30 FIEDMN N#Cc1ccccc1-c1ccc(CNCc2cnn(CC(F)(F)F)c2)cc1 ZINC000536893498 1101313089 /nfs/dbraw/zinc/31/30/89/1101313089.db2.gz MMCSYNMNYNTFOV-UHFFFAOYSA-N 0 1 370.378 4.274 20 30 FIEDMN C[C@H]1C[C@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000439326617 1101347803 /nfs/dbraw/zinc/34/78/03/1101347803.db2.gz JUWMPCVPHIXVGX-OXJNMPFZSA-N 0 1 358.445 4.376 20 30 FIEDMN CN1c2ccccc2[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)CC1=O ZINC000537013659 1101394277 /nfs/dbraw/zinc/39/42/77/1101394277.db2.gz MOUHDPICOFFBDN-QFIPXVFZSA-N 0 1 367.452 4.423 20 30 FIEDMN Cc1cc(N(CCC#N)C(=O)CNC2(c3ccccc3)CC2)ccc1Cl ZINC000537059453 1101415200 /nfs/dbraw/zinc/41/52/00/1101415200.db2.gz JKOOSUQOSZMEKD-UHFFFAOYSA-N 0 1 367.880 4.174 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000475747214 1101576536 /nfs/dbraw/zinc/57/65/36/1101576536.db2.gz IFJUIEFXPCVOFE-WCXIOVBPSA-N 0 1 359.539 4.243 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2oc(C3CC3)nc2C)cc1 ZINC000760185156 1101587356 /nfs/dbraw/zinc/58/73/56/1101587356.db2.gz YIAFOUQPPSGQJF-PXAZEXFGSA-N 0 1 365.433 4.335 20 30 FIEDMN Cc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)nn1C1CCCCC1 ZINC000537380745 1101743853 /nfs/dbraw/zinc/74/38/53/1101743853.db2.gz CCDJRPNTJKNWQT-MRXNPFEDSA-N 0 1 361.449 4.372 20 30 FIEDMN N#CCc1ccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000612058173 1101836764 /nfs/dbraw/zinc/83/67/64/1101836764.db2.gz HDIOVHDPJROLNN-UHFFFAOYSA-N 0 1 373.422 4.089 20 30 FIEDMN N#CC[C@H](CC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1 ZINC000476068480 1101857653 /nfs/dbraw/zinc/85/76/53/1101857653.db2.gz WPEXRHPTMRVNSA-CQSZACIVSA-N 0 1 365.824 4.151 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127541843 1101908328 /nfs/dbraw/zinc/90/83/28/1101908328.db2.gz MQCLJQRNZIJTOF-QWHCGFSZSA-N 0 1 361.367 4.255 20 30 FIEDMN O=C1C=COC2(CCN(Cc3ccc(-c4cccc(F)c4F)o3)CC2)C1 ZINC000897599835 1101936334 /nfs/dbraw/zinc/93/63/34/1101936334.db2.gz XGYHICUHCHGLCC-UHFFFAOYSA-N 0 1 359.372 4.063 20 30 FIEDMN N#Cc1ccc(CN[C@H](c2ccc(Br)cc2)C2CCC2)nc1 ZINC000519176651 1101975774 /nfs/dbraw/zinc/97/57/74/1101975774.db2.gz DXWJHNQKUBVRTH-SFHVURJKSA-N 0 1 356.267 4.347 20 30 FIEDMN N#Cc1cc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)ccc1F ZINC000440287203 1102170975 /nfs/dbraw/zinc/17/09/75/1102170975.db2.gz ZOQFNJZROICRGA-UHFFFAOYSA-N 0 1 360.797 4.305 20 30 FIEDMN Cc1cccc(S(=O)(=O)Nc2cc(-c3cccnc3)ccc2C)c1C#N ZINC000475841161 1102222895 /nfs/dbraw/zinc/22/28/95/1102222895.db2.gz ZODVXCHSWFJZIL-UHFFFAOYSA-N 0 1 363.442 4.038 20 30 FIEDMN CCC(N=Nc1cc(OC)ccc1Br)c1c(C)nn(C)c1C ZINC000841657607 1102225604 /nfs/dbraw/zinc/22/56/04/1102225604.db2.gz OKPTVYLMFAYLAH-UHFFFAOYSA-N 0 1 365.275 4.034 20 30 FIEDMN O[C@H](CN(CC#Cc1ccc(F)cc1)Cc1ccccc1)c1ccsc1 ZINC001168191403 1102242520 /nfs/dbraw/zinc/24/25/20/1102242520.db2.gz CRBRXQPVLWDSEN-JOCHJYFZSA-N 0 1 365.473 4.475 20 30 FIEDMN C[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc(C#N)c1 ZINC000473680326 1102513564 /nfs/dbraw/zinc/51/35/64/1102513564.db2.gz VKIPFPIDKONAHR-PXAZEXFGSA-N 0 1 374.271 4.321 20 30 FIEDMN COc1ccc(CN2CCC[C@@H]2c2cccc(C)n2)cc1OCCCC#N ZINC000093453578 1102573194 /nfs/dbraw/zinc/57/31/94/1102573194.db2.gz FHTZREWFSQDXAD-HXUWFJFHSA-N 0 1 365.477 4.418 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000122861736 1102621797 /nfs/dbraw/zinc/62/17/97/1102621797.db2.gz GSZGRZSZLNTKBE-CQSZACIVSA-N 0 1 359.360 4.462 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000122861736 1102621806 /nfs/dbraw/zinc/62/18/06/1102621806.db2.gz GSZGRZSZLNTKBE-CQSZACIVSA-N 0 1 359.360 4.462 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1csc(-c2ccccc2)n1 ZINC000122868965 1102622003 /nfs/dbraw/zinc/62/20/03/1102622003.db2.gz UCUKKUMWJDUPPN-AWEZNQCLSA-N 0 1 358.426 4.187 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1csc(-c2ccccc2)n1 ZINC000122868965 1102622006 /nfs/dbraw/zinc/62/20/06/1102622006.db2.gz UCUKKUMWJDUPPN-AWEZNQCLSA-N 0 1 358.426 4.187 20 30 FIEDMN CC1CC(C#N)(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)C1 ZINC000532639689 1102637916 /nfs/dbraw/zinc/63/79/16/1102637916.db2.gz JCHHDISFKHAMSR-UHFFFAOYSA-N 0 1 357.417 4.017 20 30 FIEDMN CC1CC(C#N)(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)C1 ZINC000532639689 1102637920 /nfs/dbraw/zinc/63/79/20/1102637920.db2.gz JCHHDISFKHAMSR-UHFFFAOYSA-N 0 1 357.417 4.017 20 30 FIEDMN C=C[C@@H](CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000122978602 1102704316 /nfs/dbraw/zinc/70/43/16/1102704316.db2.gz CFKSWCKUFFSBTN-ICSRJNTNSA-N 0 1 352.478 4.283 20 30 FIEDMN N#C[C@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 ZINC000123107728 1102778470 /nfs/dbraw/zinc/77/84/70/1102778470.db2.gz CIXABDPKSKCSEA-CYBMUJFWSA-N 0 1 362.389 4.316 20 30 FIEDMN N#CC(C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 ZINC000123107728 1102778485 /nfs/dbraw/zinc/77/84/85/1102778485.db2.gz CIXABDPKSKCSEA-CYBMUJFWSA-N 0 1 362.389 4.316 20 30 FIEDMN CCOc1nc2cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)ccc2[nH]1 ZINC000459343822 1102868783 /nfs/dbraw/zinc/86/87/83/1102868783.db2.gz GMTORWJCJLFZAX-GFCCVEGCSA-N 0 1 368.462 4.206 20 30 FIEDMN CCOc1nc2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)ccc2[nH]1 ZINC000459343822 1102868802 /nfs/dbraw/zinc/86/88/02/1102868802.db2.gz GMTORWJCJLFZAX-GFCCVEGCSA-N 0 1 368.462 4.206 20 30 FIEDMN Cc1csc(N2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)n1 ZINC000506906837 1102942161 /nfs/dbraw/zinc/94/21/61/1102942161.db2.gz AWANDRRUICLJFY-UHFFFAOYSA-N 0 1 374.513 4.312 20 30 FIEDMN CCc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1C(C)(C)C ZINC000048830203 1103059099 /nfs/dbraw/zinc/05/90/99/1103059099.db2.gz FVMCCRKPTHWAQG-LBPRGKRZSA-N 0 1 364.371 4.104 20 30 FIEDMN CCc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1C(C)(C)C ZINC000048830203 1103059115 /nfs/dbraw/zinc/05/91/15/1103059115.db2.gz FVMCCRKPTHWAQG-LBPRGKRZSA-N 0 1 364.371 4.104 20 30 FIEDMN C[C@H](NCc1c(F)cccc1N1CCCC1)c1ccc(OCC#N)cc1 ZINC000729686054 1103109221 /nfs/dbraw/zinc/10/92/21/1103109221.db2.gz URDDCPBBOSJBKP-INIZCTEOSA-N 0 1 353.441 4.179 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(F)cc2C)no1 ZINC001211975370 1103132108 /nfs/dbraw/zinc/13/21/08/1103132108.db2.gz FJVKYIKAOUGBRN-WMZOPIPTSA-N 0 1 361.461 4.262 20 30 FIEDMN CN(C)[C@@H]1CCOc2c(NC(=O)C[C@@H](CC#N)c3ccccc3)cccc21 ZINC000477159928 1103179400 /nfs/dbraw/zinc/17/94/00/1103179400.db2.gz WMPYRUHBXFHVOY-YLJYHZDGSA-N 0 1 363.461 4.098 20 30 FIEDMN Fc1ccc(C#CCN[C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000551417281 1103196221 /nfs/dbraw/zinc/19/62/21/1103196221.db2.gz YTXYGGIYAIYIDK-GOSISDBHSA-N 0 1 359.242 4.076 20 30 FIEDMN C=CCn1c(C)cc(C(=O)CSc2nc3ccc(OC)cc3[nH]2)c1C ZINC000004252339 1103507594 /nfs/dbraw/zinc/50/75/94/1103507594.db2.gz OJXIVAGVGIAGHL-UHFFFAOYSA-N 0 1 355.463 4.151 20 30 FIEDMN CC(C)Oc1ncccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000551771138 1103610926 /nfs/dbraw/zinc/61/09/26/1103610926.db2.gz GAMLXJCQVQMJIJ-ZDUSSCGKSA-N 0 1 370.359 4.104 20 30 FIEDMN CC(C)Oc1ncccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000551771138 1103610937 /nfs/dbraw/zinc/61/09/37/1103610937.db2.gz GAMLXJCQVQMJIJ-ZDUSSCGKSA-N 0 1 370.359 4.104 20 30 FIEDMN N#Cc1c(NC(=O)CNC2(c3ccccc3)CC2)sc2c1CCCCC2 ZINC000477541519 1103631125 /nfs/dbraw/zinc/63/11/25/1103631125.db2.gz LVMWPSJAQODHLI-UHFFFAOYSA-N 0 1 365.502 4.106 20 30 FIEDMN Cc1csc(-c2cccc(NS(=O)(=O)c3cccc(C)c3C#N)c2)n1 ZINC000440828361 1103976094 /nfs/dbraw/zinc/97/60/94/1103976094.db2.gz BVDJJBNSDIRFRV-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000328676652 1104520040 /nfs/dbraw/zinc/52/00/40/1104520040.db2.gz AEMKMJNULLZRRA-RDGPPVDQSA-N 0 1 350.466 4.112 20 30 FIEDMN Cc1cccc(NC(=O)[C@H](C)N2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000328654341 1104525322 /nfs/dbraw/zinc/52/53/22/1104525322.db2.gz LRWYDFHJGMXABY-ROUUACIJSA-N 0 1 366.509 4.384 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N=c3[nH]c4cc(F)c(C)cc4s3)C2)n[nH]1 ZINC000328743128 1104547695 /nfs/dbraw/zinc/54/76/95/1104547695.db2.gz NERJTIOJJZUXKQ-GFCCVEGCSA-N 0 1 373.457 4.200 20 30 FIEDMN O=C(NCC1(c2ccc(Cl)cc2)CCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000328752324 1104550360 /nfs/dbraw/zinc/55/03/60/1104550360.db2.gz CUKQKKQBNYVOHV-ZDUSSCGKSA-N 0 1 358.873 4.032 20 30 FIEDMN O=C(NCC1(c2ccc(Cl)cc2)CCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000328752324 1104550368 /nfs/dbraw/zinc/55/03/68/1104550368.db2.gz CUKQKKQBNYVOHV-ZDUSSCGKSA-N 0 1 358.873 4.032 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H](c3ccccc3)C3CCC3)C2)n[nH]1 ZINC000328729827 1104557811 /nfs/dbraw/zinc/55/78/11/1104557811.db2.gz HQVFHVFUBMISHA-QUCCMNQESA-N 0 1 352.482 4.353 20 30 FIEDMN C[C@@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)c1cccc(C#N)c1 ZINC000614625684 1105055640 /nfs/dbraw/zinc/05/56/40/1105055640.db2.gz BJNDDSYNSZKHKF-SNVBAGLBSA-N 0 1 356.838 4.154 20 30 FIEDMN Cc1c2ccccc2oc1[C@@H](C)N[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000183571006 1105056499 /nfs/dbraw/zinc/05/64/99/1105056499.db2.gz HDINJPHENXJHEP-CVEARBPZSA-N 0 1 353.466 4.123 20 30 FIEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000507950843 1105281726 /nfs/dbraw/zinc/28/17/26/1105281726.db2.gz SEYSPRSMLZOAIK-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN COc1cc(CN(C)Cc2cccc(OCCCC#N)c2)cc(OC)c1 ZINC000508026904 1105304997 /nfs/dbraw/zinc/30/49/97/1105304997.db2.gz OVFZYDUEIZVNLU-UHFFFAOYSA-N 0 1 354.450 4.018 20 30 FIEDMN N#CC1(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CCC1 ZINC000450942417 1106827027 /nfs/dbraw/zinc/82/70/27/1106827027.db2.gz QXMLVLKLWVEVEA-QGZVFWFLSA-N 0 1 352.400 4.457 20 30 FIEDMN N#Cc1cc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)ccc1F ZINC000451150749 1106949475 /nfs/dbraw/zinc/94/94/75/1106949475.db2.gz UIGLIKXPEZPLAN-UHFFFAOYSA-N 0 1 350.315 4.375 20 30 FIEDMN Cc1cc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1F ZINC000451159911 1106952735 /nfs/dbraw/zinc/95/27/35/1106952735.db2.gz CKCVUQHFPSMWDK-IAGOWNOFSA-N 0 1 353.441 4.120 20 30 FIEDMN C[C@H](N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)C(=O)Nc1ccccc1C#N ZINC000451350506 1107046857 /nfs/dbraw/zinc/04/68/57/1107046857.db2.gz CXAFFNOYTVZGGX-HXPMCKFVSA-N 0 1 371.843 4.419 20 30 FIEDMN Cc1ccc(-c2noc(CCCN(CCC#N)CC(C)(C)C)n2)cc1F ZINC000531339925 1107781499 /nfs/dbraw/zinc/78/14/99/1107781499.db2.gz IVKNLEYATHKWCK-UHFFFAOYSA-N 0 1 358.461 4.379 20 30 FIEDMN N#C[C@@H](C(=O)c1cn[nH]c1-c1ccsc1)c1ccc(C(F)(F)F)cn1 ZINC000444458467 1107925113 /nfs/dbraw/zinc/92/51/13/1107925113.db2.gz FYVFSAMRQKVPQT-LLVKDONJSA-N 0 1 362.336 4.042 20 30 FIEDMN N#Cc1csc(CNc2nccn2Cc2ccc(Br)cc2)c1 ZINC000508502267 1107999932 /nfs/dbraw/zinc/99/99/32/1107999932.db2.gz JCCSTMHQTNKEIZ-UHFFFAOYSA-N 0 1 373.279 4.239 20 30 FIEDMN C=CC[C@H]1N(Cc2csc(CC(=O)OC(C)C)n2)CCCC1(C)C ZINC000444786213 1108186519 /nfs/dbraw/zinc/18/65/19/1108186519.db2.gz UGHONEKXOGFTQF-MRXNPFEDSA-N 0 1 350.528 4.204 20 30 FIEDMN C[C@@H](N[C@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1ccccc1C#N ZINC000475698855 1108817814 /nfs/dbraw/zinc/81/78/14/1108817814.db2.gz OPNJUWMSSMEQDS-CHWSQXEVSA-N 0 1 351.381 4.121 20 30 FIEDMN C[C@H](OC[C@H](O)CN(CCC#N)CC(C)(C)C)c1ccc(Cl)cc1 ZINC000524811533 1109161833 /nfs/dbraw/zinc/16/18/33/1109161833.db2.gz NDKFQWMJALJPPD-MAUKXSAKSA-N 0 1 352.906 4.040 20 30 FIEDMN CC(C)(C#N)CCSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000525190783 1109296825 /nfs/dbraw/zinc/29/68/25/1109296825.db2.gz PQNNLOZSLCOWOY-UHFFFAOYSA-N 0 1 351.273 4.266 20 30 FIEDMN N#C[C@H]1CCC[C@H](NCc2ccc(Cl)cc2I)C1 ZINC000446850267 1109358027 /nfs/dbraw/zinc/35/80/27/1109358027.db2.gz XMZIWESSKHVLIW-GWCFXTLKSA-N 0 1 374.653 4.117 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(-c3nc4c(cccc4F)[nH]3)cc2)cc1O ZINC000525962358 1109572761 /nfs/dbraw/zinc/57/27/61/1109572761.db2.gz IBXZGOAMRSRQBZ-UHFFFAOYSA-N 0 1 372.359 4.199 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000447542705 1109573200 /nfs/dbraw/zinc/57/32/00/1109573200.db2.gz JTNDBNQFXHYDMR-YOEHRIQHSA-N 0 1 352.434 4.365 20 30 FIEDMN COc1ccc(CN(C)Cc2ccc(C#N)cc2)c(OCc2cccnc2)c1 ZINC000447798591 1109643817 /nfs/dbraw/zinc/64/38/17/1109643817.db2.gz YMUGRMJDVYVFHU-UHFFFAOYSA-N 0 1 373.456 4.173 20 30 FIEDMN Cc1oc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000448028646 1109705736 /nfs/dbraw/zinc/70/57/36/1109705736.db2.gz OWQDSJMVANCMGK-UYAOXDASSA-N 0 1 365.477 4.283 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000448028646 1109705739 /nfs/dbraw/zinc/70/57/39/1109705739.db2.gz OWQDSJMVANCMGK-UYAOXDASSA-N 0 1 365.477 4.283 20 30 FIEDMN C=CCC[C@H](NCc1c(C)nnn1CC)c1ccc(C(F)(F)F)cc1 ZINC000449186705 1109994939 /nfs/dbraw/zinc/99/49/39/1109994939.db2.gz JTMNTSXMFLGVEV-INIZCTEOSA-N 0 1 352.404 4.422 20 30 FIEDMN COc1cc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)ccc1C#N ZINC000449369893 1110045997 /nfs/dbraw/zinc/04/59/97/1110045997.db2.gz VXASCLOXDHHCKD-UHFFFAOYSA-N 0 1 362.351 4.244 20 30 FIEDMN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](CO)c1ccc(Cl)cc1 ZINC000449457784 1110077279 /nfs/dbraw/zinc/07/72/79/1110077279.db2.gz VJLQOZRWNYRHIQ-KRWDZBQOSA-N 0 1 368.786 4.396 20 30 FIEDMN C=C[C@@H]1OCC[C@H]1NCc1csc(-c2cccc(Br)c2)n1 ZINC000449516594 1110096849 /nfs/dbraw/zinc/09/68/49/1110096849.db2.gz BFKNWNLBIZBFKR-CABCVRRESA-N 0 1 365.296 4.006 20 30 FIEDMN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCCC12CC2 ZINC000528918524 1110151094 /nfs/dbraw/zinc/15/10/94/1110151094.db2.gz JYWCTHLABCQHJL-ZIAGYGMSSA-N 0 1 351.233 4.221 20 30 FIEDMN COCCCOc1cc(C)ccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000538507210 1111173010 /nfs/dbraw/zinc/17/30/10/1111173010.db2.gz NMVOLWRNXSFCNX-MRXNPFEDSA-N 0 1 356.441 4.272 20 30 FIEDMN N#Cc1ccc(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)s1 ZINC000538739125 1111272623 /nfs/dbraw/zinc/27/26/23/1111272623.db2.gz IRGASAKXGGGCFG-SFHVURJKSA-N 0 1 371.893 4.221 20 30 FIEDMN C=CC[C@H](C)NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000539015450 1111385325 /nfs/dbraw/zinc/38/53/25/1111385325.db2.gz LCNXWFJOEYJNRC-QMMMGPOBSA-N 0 1 362.302 4.303 20 30 FIEDMN CCOc1ccccc1[C@@H](CC)NCC(=O)N(CCC#N)c1ccccc1 ZINC000539252648 1111487395 /nfs/dbraw/zinc/48/73/95/1111487395.db2.gz MGLIRKGNRZHITQ-HXUWFJFHSA-N 0 1 365.477 4.073 20 30 FIEDMN Cc1ccc(-c2nc(CNC3CCN(c4ccc(C#N)cc4)CC3)co2)cc1 ZINC000552045001 1111556218 /nfs/dbraw/zinc/55/62/18/1111556218.db2.gz VQWOZALFNRYAAH-UHFFFAOYSA-N 0 1 372.472 4.280 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccnc(OC3CCCCC3)c2)cc1 ZINC000237497645 1111593630 /nfs/dbraw/zinc/59/36/30/1111593630.db2.gz GCJNCWZWBDTOHX-KRWDZBQOSA-N 0 1 365.477 4.374 20 30 FIEDMN Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1cc(C)nc(C)n1 ZINC000041562518 1111668641 /nfs/dbraw/zinc/66/86/41/1111668641.db2.gz HIVFQOAWYSYJBF-OAHLLOKOSA-N 0 1 366.421 4.155 20 30 FIEDMN Cc1nc(-c2ccc(F)cc2)sc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000041562518 1111668643 /nfs/dbraw/zinc/66/86/43/1111668643.db2.gz HIVFQOAWYSYJBF-OAHLLOKOSA-N 0 1 366.421 4.155 20 30 FIEDMN CCCC[C@H](CC)CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000479251930 1111975943 /nfs/dbraw/zinc/97/59/43/1111975943.db2.gz UGKYXNPIAFTRFI-IBGZPJMESA-N 0 1 355.526 4.267 20 30 FIEDMN N#CC(C(=O)c1coc(-c2ccccc2Cl)n1)c1nc2ccccc2[nH]1 ZINC000553663003 1112044092 /nfs/dbraw/zinc/04/40/92/1112044092.db2.gz URVHEPNHGLTORD-LBPRGKRZSA-N 0 1 362.776 4.361 20 30 FIEDMN CC(C)(C)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1O ZINC000479544297 1112063608 /nfs/dbraw/zinc/06/36/08/1112063608.db2.gz MYALMXJFJQJAIY-UHFFFAOYSA-N 0 1 364.854 4.016 20 30 FIEDMN C=CCOc1ccc(CN=c2[nH]c3c(cccc3COC)s2)cc1OC ZINC000554014346 1112168432 /nfs/dbraw/zinc/16/84/32/1112168432.db2.gz UWHHBDDMYOARKQ-UHFFFAOYSA-N 0 1 370.474 4.050 20 30 FIEDMN Cc1ccc(S(=O)(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(Cl)c1 ZINC000480267846 1112353476 /nfs/dbraw/zinc/35/34/76/1112353476.db2.gz RJJWAHPPIXCMHS-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN C[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(-n2cccn2)c(F)c1 ZINC000555626051 1112949004 /nfs/dbraw/zinc/94/90/04/1112949004.db2.gz OBJDMLBDQUVUBC-ZDUSSCGKSA-N 0 1 354.816 4.387 20 30 FIEDMN CN(C)C[C@@H](NC(=O)CCCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000600472711 1113045879 /nfs/dbraw/zinc/04/58/79/1113045879.db2.gz ONZBAGPAINJTOM-MRXNPFEDSA-N 0 1 356.297 4.186 20 30 FIEDMN CC[C@@H](C)n1ncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000482571553 1113300151 /nfs/dbraw/zinc/30/01/51/1113300151.db2.gz CCFFBZRTUHPISK-YPMHNXCESA-N 0 1 371.391 4.397 20 30 FIEDMN CCOc1nc(C)ccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000482572429 1113300210 /nfs/dbraw/zinc/30/02/10/1113300210.db2.gz DPFMYKFTNGHJRT-CYBMUJFWSA-N 0 1 370.359 4.024 20 30 FIEDMN O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000482734064 1113345192 /nfs/dbraw/zinc/34/51/92/1113345192.db2.gz YZFFZLWQQFRQFK-HXUWFJFHSA-N 0 1 356.429 4.009 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H](CO)c2ccc(CC)cc2)ccc1OC ZINC000160757751 1113446891 /nfs/dbraw/zinc/44/68/91/1113446891.db2.gz KFDBEUHZNNRHBZ-FQEVSTJZSA-N 0 1 355.478 4.036 20 30 FIEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000488277077 1113901160 /nfs/dbraw/zinc/90/11/60/1113901160.db2.gz GGFKHMVFVNRQJO-LBPRGKRZSA-N 0 1 350.388 4.093 20 30 FIEDMN CCN(Cc1ccc2ccccc2c1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488766651 1113990749 /nfs/dbraw/zinc/99/07/49/1113990749.db2.gz VSYUQNRGBNZRTJ-HTAPYJJXSA-N 0 1 351.494 4.105 20 30 FIEDMN C=CCn1cccc1C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000489043887 1114039754 /nfs/dbraw/zinc/03/97/54/1114039754.db2.gz QTMKNVTXEZKDLF-MRXNPFEDSA-N 0 1 354.841 4.181 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1ccc(OC)c(C)c1 ZINC000489123231 1114052173 /nfs/dbraw/zinc/05/21/73/1114052173.db2.gz UHYAFLYVNVJNIG-QGZVFWFLSA-N 0 1 372.534 4.100 20 30 FIEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)n[nH]1 ZINC000489183908 1114065312 /nfs/dbraw/zinc/06/53/12/1114065312.db2.gz ZGPYZTURCQYISE-HUUCEWRRSA-N 0 1 373.460 4.348 20 30 FIEDMN C=C[C@H]1CCCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000489432921 1114108676 /nfs/dbraw/zinc/10/86/76/1114108676.db2.gz JTVDALKGQSZHTL-KRWDZBQOSA-N 0 1 358.283 4.447 20 30 FIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000586819134 1114397568 /nfs/dbraw/zinc/39/75/68/1114397568.db2.gz JAIKRJCBMJMITJ-UHFFFAOYSA-N 0 1 357.417 4.083 20 30 FIEDMN CC(C)Oc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000055152071 1114421644 /nfs/dbraw/zinc/42/16/44/1114421644.db2.gz NWVGWLMNXFUGJW-JKSUJKDBSA-N 0 1 351.450 4.023 20 30 FIEDMN COc1ccc(/C=C/C(=O)c2ccc(C)cc2O)cc1OCCCC#N ZINC000156706181 1114498506 /nfs/dbraw/zinc/49/85/06/1114498506.db2.gz NLSOYVRUCJCDLP-RMKNXTFCSA-N 0 1 351.402 4.288 20 30 FIEDMN CN1CC[C@@H](CNC(=O)CCCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000588162850 1114531426 /nfs/dbraw/zinc/53/14/26/1114531426.db2.gz JYSCQMIRZXTXHX-KXBFYZLASA-N 0 1 365.880 4.062 20 30 FIEDMN N#Cc1cc(CN2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccn1 ZINC000590968271 1114997900 /nfs/dbraw/zinc/99/79/00/1114997900.db2.gz NJSQAKUFUANUNG-GOSISDBHSA-N 0 1 351.841 4.210 20 30 FIEDMN N#CC[C@@]1(O)CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)C1 ZINC000592522420 1115240479 /nfs/dbraw/zinc/24/04/79/1115240479.db2.gz BMOKLUONYGGLDX-QGZVFWFLSA-N 0 1 366.408 4.284 20 30 FIEDMN N#Cc1ccccc1N1CCCN(Cc2cccc(Br)c2)CC1 ZINC000058580322 1115267090 /nfs/dbraw/zinc/26/70/90/1115267090.db2.gz CQYDISFNPYRVPK-UHFFFAOYSA-N 0 1 370.294 4.033 20 30 FIEDMN CC(C)Oc1ccc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000592974412 1115272921 /nfs/dbraw/zinc/27/29/21/1115272921.db2.gz WMOLUNIVMTVFKC-ZDUSSCGKSA-N 0 1 355.394 4.108 20 30 FIEDMN C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000593405467 1115326768 /nfs/dbraw/zinc/32/67/68/1115326768.db2.gz RTHMQZRKXZLVRC-GUDVDZBRSA-N 0 1 370.541 4.009 20 30 FIEDMN C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000593405467 1115326771 /nfs/dbraw/zinc/32/67/71/1115326771.db2.gz RTHMQZRKXZLVRC-GUDVDZBRSA-N 0 1 370.541 4.009 20 30 FIEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 ZINC000594043403 1115367891 /nfs/dbraw/zinc/36/78/91/1115367891.db2.gz MISAFCSWLSITFJ-VXGBXAGGSA-N 0 1 358.700 4.461 20 30 FIEDMN CCOc1ccc2c(c1)[C@H](NCc1ccc(C(C)(C)C#N)cc1)CCO2 ZINC000594499470 1115450616 /nfs/dbraw/zinc/45/06/16/1115450616.db2.gz HPBKTXBRMJLXQC-HXUWFJFHSA-N 0 1 350.462 4.500 20 30 FIEDMN C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000594541107 1115462196 /nfs/dbraw/zinc/46/21/96/1115462196.db2.gz YHDBDVUUAICEBN-AWEZNQCLSA-N 0 1 364.424 4.155 20 30 FIEDMN C=CCOc1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1Cl ZINC000594788244 1115481490 /nfs/dbraw/zinc/48/14/90/1115481490.db2.gz LZAHXJRFAYVYHL-UHFFFAOYSA-N 0 1 358.869 4.412 20 30 FIEDMN COc1ccc(Br)c(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594918082 1115489629 /nfs/dbraw/zinc/48/96/29/1115489629.db2.gz PGJAKUROWBANKD-UHFFFAOYSA-N 0 1 371.278 4.303 20 30 FIEDMN COc1cc(F)c([C@@H](C)NCc2ccc(C3(C#N)CC3)cc2)cc1OC ZINC000594928085 1115490355 /nfs/dbraw/zinc/49/03/55/1115490355.db2.gz ZHVYXBKVWJFDRM-CQSZACIVSA-N 0 1 354.425 4.249 20 30 FIEDMN Cc1nnc(-c2cccc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)c2)o1 ZINC000574824969 1115499019 /nfs/dbraw/zinc/49/90/19/1115499019.db2.gz NIKQUCZIVXYQQF-AWEZNQCLSA-N 0 1 366.446 4.289 20 30 FIEDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000595048586 1115511555 /nfs/dbraw/zinc/51/15/55/1115511555.db2.gz WVUGNDATQSBSTH-CQSZACIVSA-N 0 1 351.406 4.205 20 30 FIEDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000595048584 1115511639 /nfs/dbraw/zinc/51/16/39/1115511639.db2.gz WVUGNDATQSBSTH-AWEZNQCLSA-N 0 1 351.406 4.205 20 30 FIEDMN CC(C)(NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000595638407 1115553073 /nfs/dbraw/zinc/55/30/73/1115553073.db2.gz DAFULUGVQPGDTG-UHFFFAOYSA-N 0 1 361.367 4.040 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000595844922 1115564164 /nfs/dbraw/zinc/56/41/64/1115564164.db2.gz HXZLELSNLZIIJF-HDICACEKSA-N 0 1 354.475 4.280 20 30 FIEDMN COc1cccc(C2(NCc3ccc(C#N)cc3OC(F)F)CCC2)c1 ZINC000595859657 1115564427 /nfs/dbraw/zinc/56/44/27/1115564427.db2.gz MNYPQFGHWDKSKM-UHFFFAOYSA-N 0 1 358.388 4.337 20 30 FIEDMN Cc1nn2c(nc(C(C)C)c2CNC(C)(C)c2cccc(C#N)c2)s1 ZINC000597183647 1115647347 /nfs/dbraw/zinc/64/73/47/1115647347.db2.gz JDURSEDEHADBRG-UHFFFAOYSA-N 0 1 353.495 4.119 20 30 FIEDMN N#CC1(NC(=O)C2CC3(C2)CCCCC3)CCN(Cc2ccccc2)CC1 ZINC000597476844 1115667808 /nfs/dbraw/zinc/66/78/08/1115667808.db2.gz OBJQQBJVHLVZBR-UHFFFAOYSA-N 0 1 365.521 4.021 20 30 FIEDMN C[C@@H](NCc1cccc(F)c1C#N)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000602013076 1115677758 /nfs/dbraw/zinc/67/77/58/1115677758.db2.gz SXIAXTMSKOYQJT-OPAMFIHVSA-N 0 1 368.452 4.112 20 30 FIEDMN N#Cc1cccc(CN[C@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000602621765 1115715092 /nfs/dbraw/zinc/71/50/92/1115715092.db2.gz QQIYQUAADCUJCD-KRWDZBQOSA-N 0 1 360.230 4.096 20 30 FIEDMN CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000598604102 1115738454 /nfs/dbraw/zinc/73/84/54/1115738454.db2.gz IXVPROBOAZGSHP-HOTGVXAUSA-N 0 1 369.278 4.026 20 30 FIEDMN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000598604102 1115738457 /nfs/dbraw/zinc/73/84/57/1115738457.db2.gz IXVPROBOAZGSHP-HOTGVXAUSA-N 0 1 369.278 4.026 20 30 FIEDMN CC(C)(C#N)C[C@H](O)CN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000598621038 1115740233 /nfs/dbraw/zinc/74/02/33/1115740233.db2.gz QWLCRDQPBPIMTF-YOEHRIQHSA-N 0 1 360.889 4.044 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)o1 ZINC000598886430 1115764212 /nfs/dbraw/zinc/76/42/12/1115764212.db2.gz DQPOICBXSMMHJA-UHFFFAOYSA-N 0 1 351.450 4.192 20 30 FIEDMN N#Cc1ccc2ncc(CNC3(c4ccc(C(F)(F)F)cc4)CC3)n2c1 ZINC000593702208 1115800203 /nfs/dbraw/zinc/80/02/03/1115800203.db2.gz JUPVTMPWHJXSLG-UHFFFAOYSA-N 0 1 356.351 4.004 20 30 FIEDMN Cc1ccc2sc(CNC3(c4cccc(C#N)c4)CCOCC3)nc2c1 ZINC000599470229 1115817471 /nfs/dbraw/zinc/81/74/71/1115817471.db2.gz ZLJJYHGHUJLKMM-UHFFFAOYSA-N 0 1 363.486 4.272 20 30 FIEDMN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000171366119 1115864242 /nfs/dbraw/zinc/86/42/42/1115864242.db2.gz AQOYCOYSBKZJNF-OWCLPIDISA-N 0 1 356.466 4.195 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H]2C(C)C)c1C#N ZINC000604435562 1115865455 /nfs/dbraw/zinc/86/54/55/1115865455.db2.gz ZNIHBJLDPZFICL-LJQANCHMSA-N 0 1 356.514 4.151 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)o1 ZINC000604499555 1115868206 /nfs/dbraw/zinc/86/82/06/1115868206.db2.gz VCJZZFFPYHRWMR-UHFFFAOYSA-N 0 1 353.466 4.296 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(OC(F)(F)F)cc3)[nH]c21 ZINC000605363144 1115891117 /nfs/dbraw/zinc/89/11/17/1115891117.db2.gz LDDRSZMWTGIXKF-ZDUSSCGKSA-N 0 1 359.307 4.260 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](C)Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000593973808 1115941966 /nfs/dbraw/zinc/94/19/66/1115941966.db2.gz WMFOIQNVTZCFMD-KKSFZXQISA-N 0 1 372.472 4.285 20 30 FIEDMN N#Cc1ccc(C2(NCC(=O)Nc3ccccc3C(F)(F)F)CCC2)cc1 ZINC000594032747 1115968014 /nfs/dbraw/zinc/96/80/14/1115968014.db2.gz NZOBOWUMYHCVDQ-UHFFFAOYSA-N 0 1 373.378 4.185 20 30 FIEDMN C=CCCCCC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000606902648 1115981544 /nfs/dbraw/zinc/98/15/44/1115981544.db2.gz GHGVEJBAKSSJTQ-GOSISDBHSA-N 0 1 369.465 4.229 20 30 FIEDMN C=CCCCCCN(C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000606902648 1115981546 /nfs/dbraw/zinc/98/15/46/1115981546.db2.gz GHGVEJBAKSSJTQ-GOSISDBHSA-N 0 1 369.465 4.229 20 30 FIEDMN Cc1ccc(C)c(OCCCCC(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000063235585 1116027645 /nfs/dbraw/zinc/02/76/45/1116027645.db2.gz LSHNXGOVLYZJEQ-LJQANCHMSA-N 0 1 370.493 4.010 20 30 FIEDMN Cc1cc(C)cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000063497514 1116075155 /nfs/dbraw/zinc/07/51/55/1116075155.db2.gz LBJLYMLBMQEJSJ-UHFFFAOYSA-N 0 1 371.238 4.487 20 30 FIEDMN N#Cc1ccccc1-c1ccccc1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000608900149 1116134745 /nfs/dbraw/zinc/13/47/45/1116134745.db2.gz JFIXNHUUKWQVLB-UHFFFAOYSA-N 0 1 365.396 4.058 20 30 FIEDMN CN(CCCc1ccccc1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000534601320 1116216312 /nfs/dbraw/zinc/21/63/12/1116216312.db2.gz NIXXLZGEVAMSCV-UHFFFAOYSA-N 0 1 369.896 4.151 20 30 FIEDMN C=CC[C@H](C(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000457069028 1116243167 /nfs/dbraw/zinc/24/31/67/1116243167.db2.gz NDALOXYQWIYFFA-SFHVURJKSA-N 0 1 368.443 4.222 20 30 FIEDMN N#Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000457380684 1116271148 /nfs/dbraw/zinc/27/11/48/1116271148.db2.gz UPPLUYJTYBZMPV-SFHVURJKSA-N 0 1 364.836 4.455 20 30 FIEDMN CCN(CC)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000609072857 1116282309 /nfs/dbraw/zinc/28/23/09/1116282309.db2.gz LKGJTORXUVLSMX-UHFFFAOYSA-N 0 1 371.868 4.071 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c(C#N)c1C ZINC000539422999 1116334668 /nfs/dbraw/zinc/33/46/68/1116334668.db2.gz BDJCHKLQNBLVMW-YARKZXGKSA-N 0 1 371.868 4.347 20 30 FIEDMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000539604603 1116351230 /nfs/dbraw/zinc/35/12/30/1116351230.db2.gz ZJNVCYRKEPDDJP-OAHLLOKOSA-N 0 1 362.452 4.410 20 30 FIEDMN CC[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1ccc2c(c1)OCCO2 ZINC000540376762 1118012286 /nfs/dbraw/zinc/01/22/86/1118012286.db2.gz RTQMXJABGFYDAB-MRXNPFEDSA-N 0 1 374.387 4.172 20 30 FIEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000540362677 1118015605 /nfs/dbraw/zinc/01/56/05/1118015605.db2.gz NCZFQOQALTZGHT-VGOFRKELSA-N 0 1 365.477 4.184 20 30 FIEDMN O=C1[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)CCN1C1CCCCC1 ZINC000130131639 1118053615 /nfs/dbraw/zinc/05/36/15/1118053615.db2.gz NOBUCYHOFLZGDP-VYXQJKENSA-N 0 1 355.265 4.052 20 30 FIEDMN C=CCN(Cc1cn(C)nc1-c1cccs1)Cc1ccc(OC)cc1 ZINC000540506166 1118096808 /nfs/dbraw/zinc/09/68/08/1118096808.db2.gz XFGZGNUXFSLAIG-UHFFFAOYSA-N 0 1 353.491 4.345 20 30 FIEDMN C[C@H](N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000540705914 1118194929 /nfs/dbraw/zinc/19/49/29/1118194929.db2.gz SLMPIXMNNGXIMB-GTNSWQLSSA-N 0 1 352.331 4.100 20 30 FIEDMN Cc1ccc2cc(C(=O)C(C#N)c3cc(C(F)(F)F)ccn3)ccc2n1 ZINC000464413427 1118547708 /nfs/dbraw/zinc/54/77/08/1118547708.db2.gz CWDAMJSEBOPYCR-OAHLLOKOSA-N 0 1 355.319 4.447 20 30 FIEDMN N#CC(C(=O)c1ccn(C2CCCCC2)n1)c1cc(C(F)(F)F)ccn1 ZINC000464402401 1118552085 /nfs/dbraw/zinc/55/20/85/1118552085.db2.gz DSUDXPMKVIWTCC-AWEZNQCLSA-N 0 1 362.355 4.292 20 30 FIEDMN N#CC(C(=O)c1ccn(C2CCCCC2)n1)c1cc(C(F)(F)F)ccn1 ZINC000464402402 1118552168 /nfs/dbraw/zinc/55/21/68/1118552168.db2.gz DSUDXPMKVIWTCC-CQSZACIVSA-N 0 1 362.355 4.292 20 30 FIEDMN CCC(CC)n1nccc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464422561 1118559146 /nfs/dbraw/zinc/55/91/46/1118559146.db2.gz VVQVXXLOSGJECW-CYBMUJFWSA-N 0 1 350.344 4.148 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc2c(cc1OC(F)F)OCO2 ZINC000557507763 1118662628 /nfs/dbraw/zinc/66/26/28/1118662628.db2.gz BWNRDCDQEVOBQL-MRXNPFEDSA-N 0 1 372.371 4.056 20 30 FIEDMN OC[C@H](NCC#Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000541950734 1118717778 /nfs/dbraw/zinc/71/77/78/1118717778.db2.gz MSBBPZAJPJXWIF-KRWDZBQOSA-N 0 1 353.771 4.034 20 30 FIEDMN CCN(CCNc1ccc(C(F)(F)F)cc1C#N)CCC(F)(F)F ZINC000491588939 1118968906 /nfs/dbraw/zinc/96/89/06/1118968906.db2.gz MUKJLYVLEDYTQP-UHFFFAOYSA-N 0 1 353.310 4.263 20 30 FIEDMN CN(Cc1csc2ccccc12)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000549990345 1119020870 /nfs/dbraw/zinc/02/08/70/1119020870.db2.gz LJRIVVRTELHGOS-IBGZPJMESA-N 0 1 361.470 4.010 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCc1ccc(Cl)cc1 ZINC000492287439 1119064105 /nfs/dbraw/zinc/06/41/05/1119064105.db2.gz DOTXVWQPMJKYLT-QGZVFWFLSA-N 0 1 369.896 4.150 20 30 FIEDMN Cc1cc(F)cc(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000176707041 1119290138 /nfs/dbraw/zinc/29/01/38/1119290138.db2.gz OMXZGYGOCIQFIU-ZDUSSCGKSA-N 0 1 364.467 4.187 20 30 FIEDMN Cc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)c(OCC2CC2)c1 ZINC000152770635 1119499174 /nfs/dbraw/zinc/49/91/74/1119499174.db2.gz MICWELAASIUSDF-QGZVFWFLSA-N 0 1 350.462 4.365 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(c2ccsc2)CC1 ZINC000186946930 1119758580 /nfs/dbraw/zinc/75/85/80/1119758580.db2.gz IRGVDVFOEFHSBV-QGZVFWFLSA-N 0 1 367.518 4.263 20 30 FIEDMN CCOc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] ZINC000272205268 1119875799 /nfs/dbraw/zinc/87/57/99/1119875799.db2.gz JSIPFLCHSSFZLF-AWEZNQCLSA-N 0 1 351.406 4.205 20 30 FIEDMN COc1ccc(CNCc2ccc(C)cc2OCC(F)(F)F)cc1C#N ZINC000153080735 1119902863 /nfs/dbraw/zinc/90/28/63/1119902863.db2.gz LNQCLQUSNNZKOU-UHFFFAOYSA-N 0 1 364.367 4.106 20 30 FIEDMN N#Cc1cccc(S(=O)(=O)Nc2ccccc2SC2CCCC2)c1 ZINC000032094457 1120377256 /nfs/dbraw/zinc/37/72/56/1120377256.db2.gz OYEXKMVYCAVGQV-UHFFFAOYSA-N 0 1 358.488 4.394 20 30 FIEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1ccc(F)c(Cl)c1Cl ZINC000761787151 1120402874 /nfs/dbraw/zinc/40/28/74/1120402874.db2.gz XAHFLGZJMHOTPY-UHFFFAOYSA-N 0 1 368.220 4.013 20 30 FIEDMN CCN(CC)C(=O)Nc1ccc(C(C)N=Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000914771840 1120530585 /nfs/dbraw/zinc/53/05/85/1120530585.db2.gz AINMAPMIURIMSC-UHFFFAOYSA-N 0 1 369.425 4.305 20 30 FIEDMN Cc1c([C@H](C)NCC#Cc2ccc(F)cc2)cnn1-c1ccc(F)cc1 ZINC000542543735 1120555176 /nfs/dbraw/zinc/55/51/76/1120555176.db2.gz FRMLQBUEQMHOSF-HNNXBMFYSA-N 0 1 351.400 4.161 20 30 FIEDMN Clc1ccc(-c2ccc(C=NNc3ccc(-n4ccnc4)nn3)o2)cc1 ZINC000761857159 1120555390 /nfs/dbraw/zinc/55/53/90/1120555390.db2.gz IKDFRURESRRTGH-UHFFFAOYSA-N 0 1 364.796 4.022 20 30 FIEDMN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000032465535 1120948966 /nfs/dbraw/zinc/94/89/66/1120948966.db2.gz RBNCGKCAIRPQEV-ZDUSSCGKSA-N 0 1 362.433 4.138 20 30 FIEDMN CN(C)C1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCC1 ZINC000763029760 1121094113 /nfs/dbraw/zinc/09/41/13/1121094113.db2.gz ONRHGVVIVVNNPW-UHFFFAOYSA-N 0 1 369.852 4.427 20 30 FIEDMN CC(=O)Nc1ccc(O)c(C(C)N=Nc2c(Cl)cccc2Cl)c1 ZINC000763187563 1121238061 /nfs/dbraw/zinc/23/80/61/1121238061.db2.gz DMRYEQKAECHVPG-UHFFFAOYSA-N 0 1 352.221 4.494 20 30 FIEDMN C=CCCOCCCCC(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615820488 1121280575 /nfs/dbraw/zinc/28/05/75/1121280575.db2.gz IUOVEKWJUPPWKK-CQSZACIVSA-N 0 1 363.889 4.499 20 30 FIEDMN COc1cc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)cc([N+](=O)[O-])c1O ZINC000763288728 1121318105 /nfs/dbraw/zinc/31/81/05/1121318105.db2.gz IQGJNLBYMWUKAU-PBTLCFMXSA-N 0 1 351.358 4.009 20 30 FIEDMN C=CCOc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1OC ZINC000915918793 1121349330 /nfs/dbraw/zinc/34/93/30/1121349330.db2.gz NGUSPSLNQBJLKZ-UHFFFAOYSA-N 0 1 351.328 4.120 20 30 FIEDMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)C1CC1 ZINC000916249051 1121457093 /nfs/dbraw/zinc/45/70/93/1121457093.db2.gz WFMLGMTZKBZTEK-UHFFFAOYSA-N 0 1 367.430 4.066 20 30 FIEDMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)C1CC1 ZINC000916249051 1121457097 /nfs/dbraw/zinc/45/70/97/1121457097.db2.gz WFMLGMTZKBZTEK-UHFFFAOYSA-N 0 1 367.430 4.066 20 30 FIEDMN CSc1ccc(C(C)=NNc2ccccc2S(C)(=O)=O)c(Cl)c1 ZINC000763365200 1121463270 /nfs/dbraw/zinc/46/32/70/1121463270.db2.gz YOQKCUWGIMTFIY-UHFFFAOYSA-N 0 1 368.911 4.302 20 30 FIEDMN COc1ccc([C@H](CNc2ncc(C#N)cc2Cl)N2CCCCC2)cc1 ZINC000060372161 1121470420 /nfs/dbraw/zinc/47/04/20/1121470420.db2.gz HWAXVTFQELDGAB-IBGZPJMESA-N 0 1 370.884 4.254 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@H](C)c3ccc(C#N)cc3)[nH]c2c1 ZINC000064228022 1121515592 /nfs/dbraw/zinc/51/55/92/1121515592.db2.gz DBJWVGKKQZADAM-QRWLVFNGSA-N 0 1 373.460 4.351 20 30 FIEDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1F ZINC000126595737 1121968517 /nfs/dbraw/zinc/96/85/17/1121968517.db2.gz MLFMPOORTAOSLQ-SJORKVTESA-N 0 1 353.441 4.120 20 30 FIEDMN N#Cc1cccc(CNCc2cc(Br)ccc2OC(F)F)c1 ZINC000127321112 1122079704 /nfs/dbraw/zinc/07/97/04/1122079704.db2.gz NSEQRPMDZLLUGJ-UHFFFAOYSA-N 0 1 367.193 4.212 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000066856238 1122104215 /nfs/dbraw/zinc/10/42/15/1122104215.db2.gz INOWLJOTEPFBCZ-GFCCVEGCSA-N 0 1 352.419 4.316 20 30 FIEDMN Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccn1C(C)C ZINC000497368018 1122166604 /nfs/dbraw/zinc/16/66/04/1122166604.db2.gz VHKOTOCTYUFDTE-INIZCTEOSA-N 0 1 350.447 4.386 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)ccn1C(C)C ZINC000497368018 1122166607 /nfs/dbraw/zinc/16/66/07/1122166607.db2.gz VHKOTOCTYUFDTE-INIZCTEOSA-N 0 1 350.447 4.386 20 30 FIEDMN CCCn1c(C=NN=c2[nH]c3cc(F)c(F)cc3[nH]2)nc2ccccc21 ZINC000917545408 1122348445 /nfs/dbraw/zinc/34/84/45/1122348445.db2.gz BIBFKDUGPJQTQD-UHFFFAOYSA-N 0 1 354.364 4.047 20 30 FIEDMN N#Cc1cc(S(=O)(=O)Nc2ccccc2SC(F)F)ccc1Cl ZINC000917728242 1122419082 /nfs/dbraw/zinc/41/90/82/1122419082.db2.gz QTFNIODQOCDHMS-UHFFFAOYSA-N 0 1 374.821 4.327 20 30 FIEDMN C=CCN(C(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC)C(C)C ZINC000918057264 1122539679 /nfs/dbraw/zinc/53/96/79/1122539679.db2.gz ICOQIVLMYJIRNO-SFHVURJKSA-N 0 1 351.922 4.329 20 30 FIEDMN C=CCOc1ccc(CN[C@H](CC(=O)N(C)C)c2ccccc2)cc1Cl ZINC000556057640 1122628156 /nfs/dbraw/zinc/62/81/56/1122628156.db2.gz NJARCNJAVOKTRQ-LJQANCHMSA-N 0 1 372.896 4.214 20 30 FIEDMN C=CC[C@H](CO)CN[C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000556119567 1122669984 /nfs/dbraw/zinc/66/99/84/1122669984.db2.gz AIKBUHZFVMVBSG-YVEFUNNKSA-N 0 1 368.246 4.045 20 30 FIEDMN N#Cc1cccc(C2(NCC(=O)N[C@@H](c3ccccc3)C3CCCC3)CC2)c1 ZINC000556507928 1122931300 /nfs/dbraw/zinc/93/13/00/1122931300.db2.gz FWYNPSWPAJMLAK-QHCPKHFHSA-N 0 1 373.500 4.185 20 30 FIEDMN N#Cc1cccc(C2(NCc3cncc(OCc4ccccc4)c3)CC2)c1 ZINC000556508586 1122931816 /nfs/dbraw/zinc/93/18/16/1122931816.db2.gz OVVHCLYFZUBSEN-UHFFFAOYSA-N 0 1 355.441 4.311 20 30 FIEDMN N#Cc1ccc(CN[C@@H](c2cncc(Br)c2)C2CC2)cc1F ZINC000556518425 1122939010 /nfs/dbraw/zinc/93/90/10/1122939010.db2.gz ZLFGNQKYFAIQES-QGZVFWFLSA-N 0 1 360.230 4.096 20 30 FIEDMN N#Cc1ccc(CN(Cc2cccc(C(=O)N3CCCCC3)c2)C2CC2)cc1 ZINC000194957330 1123053870 /nfs/dbraw/zinc/05/38/70/1123053870.db2.gz NCOQXUSRUOAJGB-UHFFFAOYSA-N 0 1 373.500 4.349 20 30 FIEDMN O=C(C1CCCCC1)N1CC[C@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1 ZINC000155051645 1123086687 /nfs/dbraw/zinc/08/66/87/1123086687.db2.gz KEIVLXJTLOWAQP-LKKXKRCMSA-N 0 1 369.292 4.299 20 30 FIEDMN CC[C@@H](Cc1ccccc1)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000072687996 1123123701 /nfs/dbraw/zinc/12/37/01/1123123701.db2.gz VWZCTNXJWNQCCL-SFHVURJKSA-N 0 1 367.518 4.194 20 30 FIEDMN C=CCc1cc(CN2CCC[C@H]2c2ccccc2OC)cc(OC)c1O ZINC000556859088 1123144491 /nfs/dbraw/zinc/14/44/91/1123144491.db2.gz WYGMGSGNPYIYRI-IBGZPJMESA-N 0 1 353.462 4.475 20 30 FIEDMN COc1cc(C#N)ccc1CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000499308349 1123426378 /nfs/dbraw/zinc/42/63/78/1123426378.db2.gz KRENPYGMWHBGCZ-BQYQJAHWSA-N 0 1 352.419 4.049 20 30 FIEDMN C=CCc1cc(OCC)cc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000920305921 1123437327 /nfs/dbraw/zinc/43/73/27/1123437327.db2.gz VGAYGUFIXZKTKN-HTAPYJJXSA-N 0 1 367.489 4.481 20 30 FIEDMN COc1cc(C)cc2c1OCCC2=NNc1ccc(C(F)(F)F)cn1 ZINC000920361846 1123447187 /nfs/dbraw/zinc/44/71/87/1123447187.db2.gz AEJODCOUQQMXSG-UHFFFAOYSA-N 0 1 351.328 4.016 20 30 FIEDMN CC(C)CO[C@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000920805101 1123522255 /nfs/dbraw/zinc/52/22/55/1123522255.db2.gz GZMDDUWOFKRUPB-VXGBXAGGSA-N 0 1 364.417 4.326 20 30 FIEDMN Oc1c(Br)cc(Br)cc1/C=N\CCc1ccco1 ZINC000920945000 1123540324 /nfs/dbraw/zinc/54/03/24/1123540324.db2.gz LVPJVJSPOXHNNL-PXNMLYILSA-N 0 1 373.044 4.172 20 30 FIEDMN Cc1nn(-c2ccccc2)cc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000237898735 1123666171 /nfs/dbraw/zinc/66/61/71/1123666171.db2.gz OXASHCXTERETTQ-UHFFFAOYSA-N 0 1 369.390 4.341 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000609382877 1123698499 /nfs/dbraw/zinc/69/84/99/1123698499.db2.gz VSLSMODABCIMSM-LBPRGKRZSA-N 0 1 352.419 4.174 20 30 FIEDMN COc1cccc([C@H](C)N2CCN(c3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000609509854 1123740130 /nfs/dbraw/zinc/74/01/30/1123740130.db2.gz VCMQDWXCRCUEFG-HNNXBMFYSA-N 0 1 355.869 4.103 20 30 FIEDMN N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3O)cc2)nc1 ZINC000609921613 1123888639 /nfs/dbraw/zinc/88/86/39/1123888639.db2.gz SQZATFHKEXCICQ-UHFFFAOYSA-N 0 1 365.776 4.357 20 30 FIEDMN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(OC(F)F)c(OC)c1 ZINC000615347053 1123990163 /nfs/dbraw/zinc/99/01/63/1123990163.db2.gz UUNOQGQXQFTTCU-UHFFFAOYSA-N 0 1 363.404 4.493 20 30 FIEDMN C[C@@H]1C[C@H]1[C@H](NCC(=O)Nc1sccc1C#N)c1ccc(Cl)cc1 ZINC000180024085 1124190159 /nfs/dbraw/zinc/19/01/59/1124190159.db2.gz TXVIZCBVYWGPHX-RGYTYGDFSA-N 0 1 359.882 4.199 20 30 FIEDMN N#Cc1cc(C(F)(F)F)ccc1NC1CCN(Cc2ccccn2)CC1 ZINC000301613194 1124245955 /nfs/dbraw/zinc/24/59/55/1124245955.db2.gz GYDBWCHHINKTRD-UHFFFAOYSA-N 0 1 360.383 4.049 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Cl)nc2)ccc1OC ZINC000180815153 1124442123 /nfs/dbraw/zinc/44/21/23/1124442123.db2.gz FKAMQVFDAGCBSQ-BBRMVZONSA-N 0 1 359.857 4.275 20 30 FIEDMN COc1cc(Cl)cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000499458753 1124726859 /nfs/dbraw/zinc/72/68/59/1124726859.db2.gz WMNRQJFZABQJND-ZDUSSCGKSA-N 0 1 354.715 4.252 20 30 FIEDMN CC(C)(C)C[C@@H](NC(=O)CN1CCC(CC#N)CC1)c1ccc(F)cc1 ZINC000542882568 1124734111 /nfs/dbraw/zinc/73/41/11/1124734111.db2.gz GBBREKKBIUIHCD-LJQANCHMSA-N 0 1 359.489 4.045 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000542883698 1124748052 /nfs/dbraw/zinc/74/80/52/1124748052.db2.gz NTGAEZSHOCFGIJ-CSODHUTKSA-N 0 1 371.550 4.389 20 30 FIEDMN Cc1n[nH]c(C)c1[C@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091080584 1125039652 /nfs/dbraw/zinc/03/96/52/1125039652.db2.gz IGDMVZJUELIFKD-QGZVFWFLSA-N 0 1 363.383 4.114 20 30 FIEDMN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1c(F)cccc1Cl ZINC000181738538 1125119356 /nfs/dbraw/zinc/11/93/56/1125119356.db2.gz YHDMWUUHIYQBGF-SNVBAGLBSA-N 0 1 351.834 4.092 20 30 FIEDMN Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1cc(C#N)ccc1C ZINC000181757435 1125130948 /nfs/dbraw/zinc/13/09/48/1125130948.db2.gz AOPICOBTOKXRJZ-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN N#CC(C(=O)c1ccccc1OC1CC1)c1nc2cc(F)ccc2s1 ZINC000672583917 1125185112 /nfs/dbraw/zinc/18/51/12/1125185112.db2.gz MYLUNWQGIAYHGW-CQSZACIVSA-N 0 1 352.390 4.467 20 30 FIEDMN N#C[C@H](C(=O)c1ccccc1OC1CC1)c1nc2cc(F)ccc2s1 ZINC000672583917 1125185123 /nfs/dbraw/zinc/18/51/23/1125185123.db2.gz MYLUNWQGIAYHGW-CQSZACIVSA-N 0 1 352.390 4.467 20 30 FIEDMN CCOc1cc2c(cc1CN[C@H](C)c1ccc(OCC#N)cc1)O[C@H](C)C2 ZINC000182010498 1125213907 /nfs/dbraw/zinc/21/39/07/1125213907.db2.gz UFNSHQRIHPMFRB-HZPDHXFCSA-N 0 1 366.461 4.162 20 30 FIEDMN COc1c(Br)cccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618741648 1125258633 /nfs/dbraw/zinc/25/86/33/1125258633.db2.gz JAIAXPKTQWQLIH-QGZVFWFLSA-N 0 1 357.251 4.106 20 30 FIEDMN COc1ccc(-c2ccncc2)cc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618742393 1125259541 /nfs/dbraw/zinc/25/95/41/1125259541.db2.gz YEZCSLUNSBDCOU-QFIPXVFZSA-N 0 1 355.441 4.406 20 30 FIEDMN COc1cc(Br)ccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618743067 1125261019 /nfs/dbraw/zinc/26/10/19/1125261019.db2.gz VQGVQAVELHCHQU-QGZVFWFLSA-N 0 1 357.251 4.106 20 30 FIEDMN FC(F)(F)COCCCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000618752040 1125265259 /nfs/dbraw/zinc/26/52/59/1125265259.db2.gz XPBYHVXPIMKJOJ-RKDXNWHRSA-N 0 1 361.248 4.018 20 30 FIEDMN COC(=O)c1ccc(-c2ccc(CN[C@H]3CCc4cc(C#N)ccc43)o2)cc1 ZINC000618831507 1125290559 /nfs/dbraw/zinc/29/05/59/1125290559.db2.gz WZCABUZVHVEVNP-NRFANRHFSA-N 0 1 372.424 4.382 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000096966982 209166057 /nfs/dbraw/zinc/16/60/57/209166057.db2.gz VQWSTJFWADYILR-HZPDHXFCSA-N 0 1 355.869 4.326 20 30 FIEDMN N#CC1(CCCN2CCc3ccc(C(F)(F)F)cc3C2)CCOCC1 ZINC000602928440 568019215 /nfs/dbraw/zinc/01/92/15/568019215.db2.gz NHLCQMQLQHRFPZ-UHFFFAOYSA-N 0 1 352.400 4.164 20 30 FIEDMN CCCCOc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1OC ZINC000568570201 568056902 /nfs/dbraw/zinc/05/69/02/568056902.db2.gz PCJCFZVSRRLCAC-UHFFFAOYSA-N 0 1 354.450 4.044 20 30 FIEDMN N#C[C@H](C(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000603836632 568159579 /nfs/dbraw/zinc/15/95/79/568159579.db2.gz QCISFSXDJSTXII-LLVKDONJSA-N 0 1 372.793 4.190 20 30 FIEDMN N#CC(C(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000603836632 568159580 /nfs/dbraw/zinc/15/95/80/568159580.db2.gz QCISFSXDJSTXII-LLVKDONJSA-N 0 1 372.793 4.190 20 30 FIEDMN CCN(CCc1ccccc1)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000603852193 568166275 /nfs/dbraw/zinc/16/62/75/568166275.db2.gz IDFWCAZIZJWACQ-UHFFFAOYSA-N 0 1 363.505 4.115 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)C1(C#N)CCCCC1)c1ccccc1Cl ZINC000303023387 568251345 /nfs/dbraw/zinc/25/13/45/568251345.db2.gz PHSNYQCJQKXLSW-SFHVURJKSA-N 0 1 361.917 4.313 20 30 FIEDMN CN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCc2ccccc21 ZINC000008126466 568268638 /nfs/dbraw/zinc/26/86/38/568268638.db2.gz GZPQVDSOQNGGDK-LJQANCHMSA-N 0 1 353.853 4.160 20 30 FIEDMN C=CCN1C(=O)c2ccccc2N[C@]12CC[N@@H+](Cc1ccccc1)[C@H](C)C2 ZINC000604414331 568279303 /nfs/dbraw/zinc/27/93/03/568279303.db2.gz KWMOOEMSCPYWFT-WZONZLPQSA-N 0 1 361.489 4.121 20 30 FIEDMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cccc(OCCCC#N)c1 ZINC000093889158 1125536146 /nfs/dbraw/zinc/53/61/46/1125536146.db2.gz PRGOCSKGVHGVLT-QLXKLKPCSA-N 0 1 370.518 4.300 20 30 FIEDMN N#CC(C(=O)c1ccc2[nH]c(=O)oc2c1)c1nc(-c2ccccc2)cs1 ZINC000619753879 1125681042 /nfs/dbraw/zinc/68/10/42/1125681042.db2.gz RWGZZHMQGIXLNC-ZDUSSCGKSA-N 0 1 361.382 4.147 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@H](NCc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619755764 1125682180 /nfs/dbraw/zinc/68/21/80/1125682180.db2.gz RTRGCDQOJZOYHP-MRXNPFEDSA-N 0 1 372.852 4.457 20 30 FIEDMN N#Cc1ccc(CNCc2ccccc2OCC(F)(F)F)cc1Cl ZINC000619748260 1125690423 /nfs/dbraw/zinc/69/04/23/1125690423.db2.gz FFEGHZAJKAJAOB-UHFFFAOYSA-N 0 1 354.759 4.443 20 30 FIEDMN N#Cc1ccc(CNCc2ccc(F)c(Br)c2)cc1Cl ZINC000619749069 1125691489 /nfs/dbraw/zinc/69/14/89/1125691489.db2.gz ZJBRXTZUUIZESJ-UHFFFAOYSA-N 0 1 353.622 4.403 20 30 FIEDMN CC(C)(C)c1n[nH]c(SCc2ccc(Br)cc2C#N)n1 ZINC000557757491 1079629275 /nfs/dbraw/zinc/62/92/75/1079629275.db2.gz SVCSXTKFBNPOSI-UHFFFAOYSA-N 0 1 351.273 4.029 20 30 FIEDMN CC(C)(C)c1nc(SCc2ccc(Br)cc2C#N)n[nH]1 ZINC000557757491 1079629277 /nfs/dbraw/zinc/62/92/77/1079629277.db2.gz SVCSXTKFBNPOSI-UHFFFAOYSA-N 0 1 351.273 4.029 20 30 FIEDMN C[C@]1(c2ccccc2)CCCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000510090490 1079958044 /nfs/dbraw/zinc/95/80/44/1079958044.db2.gz ZBEFLEOYVZQSSD-FQEVSTJZSA-N 0 1 353.491 4.002 20 30 FIEDMN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(C)CCC(C)C)c1C#N ZINC001167101532 1080455817 /nfs/dbraw/zinc/45/58/17/1080455817.db2.gz YKDSBZPRXLVPRW-UHFFFAOYSA-N 0 1 370.472 4.021 20 30 FIEDMN C=CCN(Cc1ccccc1F)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001167137748 1080677991 /nfs/dbraw/zinc/67/79/91/1080677991.db2.gz FAHLDDJURDZEIL-SJLPKXTDSA-N 0 1 362.489 4.317 20 30 FIEDMN Cc1ccccc1CN(C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001167227300 1080873112 /nfs/dbraw/zinc/87/31/12/1080873112.db2.gz JXCIOPZHDBFPFJ-JOCHJYFZSA-N 0 1 359.473 4.027 20 30 FIEDMN N#CC(C(=O)C=Cc1cccnc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000120910465 1081008658 /nfs/dbraw/zinc/00/86/58/1081008658.db2.gz NFDSHSZKEVWRPG-YBJDMEARSA-N 0 1 367.380 4.373 20 30 FIEDMN C=CCOc1ccc(CNCc2ccccc2OCC(F)(F)F)cc1 ZINC000237898949 1081046758 /nfs/dbraw/zinc/04/67/58/1081046758.db2.gz CQKSPPAWGBGUHF-UHFFFAOYSA-N 0 1 351.368 4.482 20 30 FIEDMN Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)c(C)n1-c1ccc(C#N)cc1 ZINC000728271228 1081428853 /nfs/dbraw/zinc/42/88/53/1081428853.db2.gz WXHZMALAOBBKSY-UHFFFAOYSA-N 0 1 355.401 4.094 20 30 FIEDMN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000471497766 1081483562 /nfs/dbraw/zinc/48/35/62/1081483562.db2.gz UEAFAKMIMVSEGS-FQEVSTJZSA-N 0 1 367.493 4.204 20 30 FIEDMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610346579 1081504273 /nfs/dbraw/zinc/50/42/73/1081504273.db2.gz XOGJJEKYYMBRMY-UONOGXRCSA-N 0 1 371.868 4.207 20 30 FIEDMN COc1cc(CNCc2cc(C#N)cs2)ccc1OCc1ccccc1 ZINC000177681477 1081511237 /nfs/dbraw/zinc/51/12/37/1081511237.db2.gz OZBBRSUXLGGPGN-UHFFFAOYSA-N 0 1 364.470 4.497 20 30 FIEDMN CCO[C@H]1C[C@@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1(CC)CC ZINC000083249217 1081562050 /nfs/dbraw/zinc/56/20/50/1081562050.db2.gz VFKZCTMKYGAVBD-MSOLQXFVSA-N 0 1 368.481 4.024 20 30 FIEDMN Cc1ccn(-c2ccccc2C(=O)C(C#N)c2nc(C(C)C)cs2)n1 ZINC000580279956 1081797074 /nfs/dbraw/zinc/79/70/74/1081797074.db2.gz KGISYXXMXYDNOJ-HNNXBMFYSA-N 0 1 350.447 4.251 20 30 FIEDMN CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(F)F)cc1 ZINC000580488749 1081973010 /nfs/dbraw/zinc/97/30/10/1081973010.db2.gz FRLTXLLBHUCHNS-UHFFFAOYSA-N 0 1 366.389 4.084 20 30 FIEDMN N#Cc1ccc(CN2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)nc1 ZINC000579855123 1082137533 /nfs/dbraw/zinc/13/75/33/1082137533.db2.gz VGPLDGVGMFASSE-GOSISDBHSA-N 0 1 351.841 4.210 20 30 FIEDMN N#Cc1cccc(CN[C@H]2CCCOc3ccc(Br)cc32)c1 ZINC000177897262 1082294170 /nfs/dbraw/zinc/29/41/70/1082294170.db2.gz FLYKUDXTTQHFEU-KRWDZBQOSA-N 0 1 357.251 4.324 20 30 FIEDMN CCCOc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000128875371 1082502965 /nfs/dbraw/zinc/50/29/65/1082502965.db2.gz JWNREKSNHXICNP-QGZVFWFLSA-N 0 1 363.442 4.484 20 30 FIEDMN CCCOc1cccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000128875371 1082502969 /nfs/dbraw/zinc/50/29/69/1082502969.db2.gz JWNREKSNHXICNP-QGZVFWFLSA-N 0 1 363.442 4.484 20 30 FIEDMN CCCOc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000128875629 1082503241 /nfs/dbraw/zinc/50/32/41/1082503241.db2.gz JWNREKSNHXICNP-KRWDZBQOSA-N 0 1 363.442 4.484 20 30 FIEDMN CCCOc1cccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000128875629 1082503242 /nfs/dbraw/zinc/50/32/42/1082503242.db2.gz JWNREKSNHXICNP-KRWDZBQOSA-N 0 1 363.442 4.484 20 30 FIEDMN CC1(C)Cc2c(cccc2Br)[C@@H]1NCc1ccc(C#N)cn1 ZINC000581437121 1082579170 /nfs/dbraw/zinc/57/91/70/1082579170.db2.gz BDCWOPPDJCDPSH-KRWDZBQOSA-N 0 1 356.267 4.129 20 30 FIEDMN C=CCOc1cccc(CN(CCc2ccccn2)Cc2cccnc2)c1 ZINC000430865316 1083214983 /nfs/dbraw/zinc/21/49/83/1083214983.db2.gz NILQICITYFOCCQ-UHFFFAOYSA-N 0 1 359.473 4.286 20 30 FIEDMN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377239 1083361561 /nfs/dbraw/zinc/36/15/61/1083361561.db2.gz ZEALBZGYGFRRIB-RLCCDNCMSA-N 0 1 365.458 4.105 20 30 FIEDMN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377239 1083361567 /nfs/dbraw/zinc/36/15/67/1083361567.db2.gz ZEALBZGYGFRRIB-RLCCDNCMSA-N 0 1 365.458 4.105 20 30 FIEDMN N#C[C@H](C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nc(C2CC2)cs1 ZINC000647378839 1083369122 /nfs/dbraw/zinc/36/91/22/1083369122.db2.gz DPEJVHRBMNTSPH-CYBMUJFWSA-N 0 1 373.865 4.348 20 30 FIEDMN N#CC(C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nc(C2CC2)cs1 ZINC000647378839 1083369135 /nfs/dbraw/zinc/36/91/35/1083369135.db2.gz DPEJVHRBMNTSPH-CYBMUJFWSA-N 0 1 373.865 4.348 20 30 FIEDMN N#CC(C(=O)c1ccc(Br)c(F)c1)c1nc(C2CC2)cs1 ZINC000647377301 1083372136 /nfs/dbraw/zinc/37/21/36/1083372136.db2.gz BZKHDCCENDXFCK-JTQLQIEISA-N 0 1 365.227 4.412 20 30 FIEDMN N#CC(C(=O)c1ccc2c(c1)CCCCC2=O)c1nc(C2CC2)cs1 ZINC000647379657 1083376343 /nfs/dbraw/zinc/37/63/43/1083376343.db2.gz BCCNPAGCIMURKU-INIZCTEOSA-N 0 1 350.443 4.420 20 30 FIEDMN CCCOc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)c(OC)c1 ZINC000647380035 1083376994 /nfs/dbraw/zinc/37/69/94/1083376994.db2.gz DYKRJUSJNQDIQH-HNNXBMFYSA-N 0 1 356.447 4.308 20 30 FIEDMN Cc1ccc(-c2ccc(C(=O)C(C#N)c3nc(C4CC4)cs3)cc2)nn1 ZINC000647380332 1083378883 /nfs/dbraw/zinc/37/88/83/1083378883.db2.gz DFLMQSGMRBDHAD-INIZCTEOSA-N 0 1 360.442 4.276 20 30 FIEDMN Cc1ccc(N(CCC#N)C(=O)c2ccc(Br)cc2O)cc1 ZINC000179484220 1083480078 /nfs/dbraw/zinc/48/00/78/1083480078.db2.gz XNHBYJCYIHWECF-UHFFFAOYSA-N 0 1 359.223 4.024 20 30 FIEDMN CC(C)c1ccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000610811752 1083720766 /nfs/dbraw/zinc/72/07/66/1083720766.db2.gz QLXXUKHVEYICRQ-OAHLLOKOSA-N 0 1 353.441 4.328 20 30 FIEDMN Cc1noc(C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)c2ccccc2)n1 ZINC000277059191 1083728588 /nfs/dbraw/zinc/72/85/88/1083728588.db2.gz HXOBVOBUZFMRNX-ORAYPTAESA-N 0 1 350.397 4.023 20 30 FIEDMN Cc1noc(C[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)c2ccccc2)n1 ZINC000277059195 1083728637 /nfs/dbraw/zinc/72/86/37/1083728637.db2.gz HXOBVOBUZFMRNX-YJYMSZOUSA-N 0 1 350.397 4.023 20 30 FIEDMN CC(C)(C)CCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000121654219 1083734784 /nfs/dbraw/zinc/73/47/84/1083734784.db2.gz JDNMQBQKHHZWPD-CYBMUJFWSA-N 0 1 354.422 4.475 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC[C@@]3(CCSC3)C2)c1 ZINC000451978592 1083744931 /nfs/dbraw/zinc/74/49/31/1083744931.db2.gz PCIDRZQVBSLQDD-MRXNPFEDSA-N 0 1 351.313 4.040 20 30 FIEDMN CC(F)(F)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000188561043 1083816333 /nfs/dbraw/zinc/81/63/33/1083816333.db2.gz NNLJNUZJJHOBLA-UHFFFAOYSA-N 0 1 356.781 4.124 20 30 FIEDMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1ccnc(C#N)c1 ZINC000612512895 1083869300 /nfs/dbraw/zinc/86/93/00/1083869300.db2.gz ANRHYSUUIHBZRL-LBPRGKRZSA-N 0 1 352.438 4.375 20 30 FIEDMN N#Cc1cc(CSc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)ccn1 ZINC000610956267 1083881020 /nfs/dbraw/zinc/88/10/20/1083881020.db2.gz URYFRZIZEMHDML-UHFFFAOYSA-N 0 1 362.245 4.337 20 30 FIEDMN COCc1ccsc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000181427665 1083912242 /nfs/dbraw/zinc/91/22/42/1083912242.db2.gz KTZJFOLIKVVKMI-LLVKDONJSA-N 0 1 361.373 4.129 20 30 FIEDMN COCc1ccsc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000181427665 1083912246 /nfs/dbraw/zinc/91/22/46/1083912246.db2.gz KTZJFOLIKVVKMI-LLVKDONJSA-N 0 1 361.373 4.129 20 30 FIEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000413835724 1083938769 /nfs/dbraw/zinc/93/87/69/1083938769.db2.gz NVPHZAGFOFCBCJ-KRWDZBQOSA-N 0 1 354.498 4.036 20 30 FIEDMN COc1ccc2[nH]cc(C3=CCN(Cc4ccc(OC)c(C#N)c4)CC3)c2c1 ZINC000610993268 1083946566 /nfs/dbraw/zinc/94/65/66/1083946566.db2.gz IWYFFIREJMHJMJ-UHFFFAOYSA-N 0 1 373.456 4.346 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cccc(CSc3ccccn3)c2)cc1O ZINC000187702360 1084036961 /nfs/dbraw/zinc/03/69/61/1084036961.db2.gz QTEVDCSFLQHLCJ-UHFFFAOYSA-N 0 1 361.426 4.203 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CN=Nc2ccc(Br)cc2F)cc1 ZINC000728432183 1084061099 /nfs/dbraw/zinc/06/10/99/1084061099.db2.gz KJIJYQOTNHQNGK-NSHDSACASA-N 0 1 362.202 4.325 20 30 FIEDMN COc1cccc(CN=Nc2ccc(Br)cc2F)c1OC ZINC000728432988 1084085471 /nfs/dbraw/zinc/08/54/71/1084085471.db2.gz METPMEXZUYIOCU-UHFFFAOYSA-N 0 1 353.191 4.051 20 30 FIEDMN O=C(/C=C/c1ccccc1I)c1ccc(O)c(F)c1 ZINC000728439244 1084162388 /nfs/dbraw/zinc/16/23/88/1084162388.db2.gz ZEPPCVWHYLMYJB-FNORWQNLSA-N 0 1 368.145 4.032 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000180093030 1084342099 /nfs/dbraw/zinc/34/20/99/1084342099.db2.gz DZXDWJUKVJIYEL-MRXNPFEDSA-N 0 1 368.477 4.461 20 30 FIEDMN Cc1nc2cc(C(=O)C(C#N)c3ccccn3)ccc2n1Cc1ccsc1 ZINC000472517346 1084421775 /nfs/dbraw/zinc/42/17/75/1084421775.db2.gz LGMWVUWSFDLVAX-KRWDZBQOSA-N 0 1 372.453 4.340 20 30 FIEDMN N#CC(C(=O)c1cnc(CC2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000892539584 1084633049 /nfs/dbraw/zinc/63/30/49/1084633049.db2.gz ZXUUNOVMEWAPKM-NSHDSACASA-N 0 1 372.400 4.330 20 30 FIEDMN N#C[C@@H](C(=O)c1cnc(CC2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000892539584 1084633056 /nfs/dbraw/zinc/63/30/56/1084633056.db2.gz ZXUUNOVMEWAPKM-NSHDSACASA-N 0 1 372.400 4.330 20 30 FIEDMN Cc1ccc(OCC(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000066544849 1084639308 /nfs/dbraw/zinc/63/93/08/1084639308.db2.gz DAQYDTCHDGIGBN-GOSISDBHSA-N 0 1 373.437 4.245 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2CCSCC2)cc1 ZINC000134976948 1084694526 /nfs/dbraw/zinc/69/45/26/1084694526.db2.gz SINAVVNZWCFJQP-KDOFPFPSSA-N 0 1 358.507 4.381 20 30 FIEDMN N#Cc1cccc(CNCc2cccc(Br)c2OC(F)F)c1 ZINC000540731586 1084891259 /nfs/dbraw/zinc/89/12/59/1084891259.db2.gz CSXHSMGKZCUOND-UHFFFAOYSA-N 0 1 367.193 4.212 20 30 FIEDMN CN1CCC[C@@H](NCc2cc(C#N)ccc2Br)c2ccccc21 ZINC000451878791 1084903445 /nfs/dbraw/zinc/90/34/45/1084903445.db2.gz OINHCMMTUKPRHB-GOSISDBHSA-N 0 1 370.294 4.382 20 30 FIEDMN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1 ZINC000180231920 1084921696 /nfs/dbraw/zinc/92/16/96/1084921696.db2.gz SQOGROJPNOUJIC-UHFFFAOYSA-N 0 1 368.843 4.383 20 30 FIEDMN O=C(/C=C\c1cc(F)c(O)c(F)c1)c1cc(Br)ccc1F ZINC000255901017 1085035192 /nfs/dbraw/zinc/03/51/92/1085035192.db2.gz GOSCCWFPWWMGNA-RJRFIUFISA-N 0 1 357.125 4.468 20 30 FIEDMN N#CCOc1ccc(CNCc2cc(Br)ccc2Cl)cc1 ZINC000178622703 1085292886 /nfs/dbraw/zinc/29/28/86/1085292886.db2.gz JEGSLAJUTILGHW-UHFFFAOYSA-N 0 1 365.658 4.295 20 30 FIEDMN N#Cc1ccsc1NC(=O)CCN(Cc1ccco1)Cc1cccs1 ZINC000128031113 1085300672 /nfs/dbraw/zinc/30/06/72/1085300672.db2.gz MDNRUAZODPVZQL-UHFFFAOYSA-N 0 1 371.487 4.305 20 30 FIEDMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1cc2ccccc2o1 ZINC000181756593 1085394476 /nfs/dbraw/zinc/39/44/76/1085394476.db2.gz ZQEIJLYKKWPILQ-LBPRGKRZSA-N 0 1 353.809 4.247 20 30 FIEDMN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000661117609 1085401164 /nfs/dbraw/zinc/40/11/64/1085401164.db2.gz SNJNLZKQYDPEFB-CZUORRHYSA-N 0 1 374.485 4.154 20 30 FIEDMN C[C@H](C1CC1)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000075636862 1085534159 /nfs/dbraw/zinc/53/41/59/1085534159.db2.gz FVXKRDYOGCWJKA-MRXNPFEDSA-N 0 1 358.445 4.409 20 30 FIEDMN C[C@H](C1CC1)N(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000075636862 1085534169 /nfs/dbraw/zinc/53/41/69/1085534169.db2.gz FVXKRDYOGCWJKA-MRXNPFEDSA-N 0 1 358.445 4.409 20 30 FIEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC2CCC(OC)CC2)cc1 ZINC000136616981 1085656746 /nfs/dbraw/zinc/65/67/46/1085656746.db2.gz VHXVKNKXEZWMRW-UUKMXZOPSA-N 0 1 370.493 4.272 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc3sccc3c2)n1 ZINC000473122593 1085689470 /nfs/dbraw/zinc/68/94/70/1085689470.db2.gz ZXVAEBIHMCIFFZ-LBPRGKRZSA-N 0 1 356.428 4.025 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1C(F)(F)F ZINC000062238390 1085702520 /nfs/dbraw/zinc/70/25/20/1085702520.db2.gz ABDQMFIILDRZKC-OLZOCXBDSA-N 0 1 361.367 4.255 20 30 FIEDMN C=CCOc1ccccc1CN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000161521860 1085886746 /nfs/dbraw/zinc/88/67/46/1085886746.db2.gz TXOXAKBNIRTPLP-HNNXBMFYSA-N 0 1 354.450 4.069 20 30 FIEDMN CO[C@@H](C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000125668602 1086150713 /nfs/dbraw/zinc/15/07/13/1086150713.db2.gz MRHLKAWWIZEOLZ-KWQFWETISA-N 0 1 355.246 4.328 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2cnccc2-c2ccccc2)cc1Cl ZINC000432345710 1086639404 /nfs/dbraw/zinc/63/94/04/1086639404.db2.gz IGNZQCWHNULLHG-UHFFFAOYSA-N 0 1 369.833 4.074 20 30 FIEDMN Cc1cc(C#N)cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000585702041 1086647098 /nfs/dbraw/zinc/64/70/98/1086647098.db2.gz FQFNEEZIRHJEQT-UHFFFAOYSA-N 0 1 368.484 4.173 20 30 FIEDMN CC[C@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1OC(F)F ZINC000585766921 1086693810 /nfs/dbraw/zinc/69/38/10/1086693810.db2.gz FHYHVKDODRQASV-INIZCTEOSA-N 0 1 356.376 4.048 20 30 FIEDMN N#CCc1ccc(CNCc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 ZINC000583692953 1086917187 /nfs/dbraw/zinc/91/71/87/1086917187.db2.gz QKMCTKNDCRVNAS-HXUWFJFHSA-N 0 1 370.880 4.254 20 30 FIEDMN CCCn1ncc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000161900885 1086978389 /nfs/dbraw/zinc/97/83/89/1086978389.db2.gz ARWIIMGIAMXAHI-CYBMUJFWSA-N 0 1 362.355 4.074 20 30 FIEDMN CCCn1ncc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000161900885 1086978392 /nfs/dbraw/zinc/97/83/92/1086978392.db2.gz ARWIIMGIAMXAHI-CYBMUJFWSA-N 0 1 362.355 4.074 20 30 FIEDMN N#CC(C(=O)C=Cc1nc2ccccc2s1)c1cnc2ccccc2n1 ZINC000588587598 1087177688 /nfs/dbraw/zinc/17/76/88/1087177688.db2.gz JNZGDLLFPQLXRU-XPSMFNQNSA-N 0 1 356.410 4.129 20 30 FIEDMN N#C[C@H](C(=O)C=Cc1nc2ccccc2s1)c1cnc2ccccc2n1 ZINC000588587598 1087177690 /nfs/dbraw/zinc/17/76/90/1087177690.db2.gz JNZGDLLFPQLXRU-XPSMFNQNSA-N 0 1 356.410 4.129 20 30 FIEDMN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248610161 1087246359 /nfs/dbraw/zinc/24/63/59/1087246359.db2.gz FTHYMIGXQUKZTM-JOQOYGCGSA-N 0 1 352.881 4.190 20 30 FIEDMN CC[C@@H](C)CCCCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000612057650 1087716467 /nfs/dbraw/zinc/71/64/67/1087716467.db2.gz XBLMSLGCSOBXHX-LJQANCHMSA-N 0 1 355.526 4.267 20 30 FIEDMN CC(C)N(CCc1nccs1)Cc1ccc(C#N)cc1Br ZINC000181190923 1088265459 /nfs/dbraw/zinc/26/54/59/1088265459.db2.gz COCWRZWACZRLFM-UHFFFAOYSA-N 0 1 364.312 4.230 20 30 FIEDMN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000181268704 1088291877 /nfs/dbraw/zinc/29/18/77/1088291877.db2.gz WHHVQIKWSVOGOH-YUKKFKLSSA-N 0 1 366.833 4.143 20 30 FIEDMN N#Cc1ccc(C2(C(=O)Nc3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)cc1 ZINC000188859882 1088313132 /nfs/dbraw/zinc/31/31/32/1088313132.db2.gz HEKUNDWMHCAKHC-UHFFFAOYSA-N 0 1 370.334 4.124 20 30 FIEDMN CCOc1ccc([C@@H](C)NCc2cc(C#N)ccc2OC)cc1OCC ZINC000181387297 1088404390 /nfs/dbraw/zinc/40/43/90/1088404390.db2.gz FTIRUIBGVVTIJW-OAHLLOKOSA-N 0 1 354.450 4.215 20 30 FIEDMN COc1ccc(C#N)cc1CN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189801629 1088636372 /nfs/dbraw/zinc/63/63/72/1088636372.db2.gz OPYCMXYPXGVYTB-UHFFFAOYSA-N 0 1 361.445 4.396 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccnn3CC(F)F)n2)cc1 ZINC000434616186 1088865956 /nfs/dbraw/zinc/86/59/56/1088865956.db2.gz OXGCMTPRDYXMPU-CYBMUJFWSA-N 0 1 372.400 4.070 20 30 FIEDMN COc1ccc([C@@H](Cc2ccc(F)cc2)NC[C@@H](C#N)CCC#N)cc1 ZINC000564651982 1089069956 /nfs/dbraw/zinc/06/99/56/1089069956.db2.gz SIAHJHYSANUVCN-DYESRHJHSA-N 0 1 351.425 4.151 20 30 FIEDMN CCSc1ccc([C@H](C)N[C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000434873464 1089083069 /nfs/dbraw/zinc/08/30/69/1089083069.db2.gz JWHDRKOIYQJJMO-GUYCJALGSA-N 0 1 371.531 4.188 20 30 FIEDMN C=CCOc1ccccc1CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000435052123 1089240402 /nfs/dbraw/zinc/24/04/02/1089240402.db2.gz GOKPCHLYIVADGB-UHFFFAOYSA-N 0 1 353.437 4.485 20 30 FIEDMN O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC(c2cnc[nH]2)CC1 ZINC000435078852 1089268872 /nfs/dbraw/zinc/26/88/72/1089268872.db2.gz JZJDBTPJYWNTEJ-UHFFFAOYSA-N 0 1 370.456 4.221 20 30 FIEDMN C=CCC[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC000435085991 1089274087 /nfs/dbraw/zinc/27/40/87/1089274087.db2.gz SGICEGXLHFIDFI-ZWKOTPCHSA-N 0 1 357.523 4.358 20 30 FIEDMN O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC(c2cnc[nH]2)CC1 ZINC000435155220 1089333424 /nfs/dbraw/zinc/33/34/24/1089333424.db2.gz YWXMWBFMSIPONL-UHFFFAOYSA-N 0 1 370.456 4.221 20 30 FIEDMN Cc1cccc([C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000330108227 1089390954 /nfs/dbraw/zinc/39/09/54/1089390954.db2.gz NHRPRAMVLBVPLB-UXHICEINSA-N 0 1 366.509 4.381 20 30 FIEDMN N#CCCSc1ccccc1NS(=O)(=O)c1cccc(C(F)F)c1 ZINC000780386968 1089482425 /nfs/dbraw/zinc/48/24/25/1089482425.db2.gz JRUCNMALACEPJS-UHFFFAOYSA-N 0 1 368.430 4.431 20 30 FIEDMN CSc1cc2c(cc1CN(C)[C@H](C)c1cccc(C#N)c1)OCCO2 ZINC000425365130 1089591444 /nfs/dbraw/zinc/59/14/44/1089591444.db2.gz IWWUDLWNXAMEJZ-CQSZACIVSA-N 0 1 354.475 4.244 20 30 FIEDMN N#CC(C(=O)CCCC(=O)c1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000893061153 1089765319 /nfs/dbraw/zinc/76/53/19/1089765319.db2.gz DYDUYPPAFZXPJR-OAHLLOKOSA-N 0 1 360.335 4.330 20 30 FIEDMN N#Cc1cccc(NC(=O)N2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000515108795 1089786799 /nfs/dbraw/zinc/78/67/99/1089786799.db2.gz IZOBUGIPWPKOOH-UHFFFAOYSA-N 0 1 370.456 4.061 20 30 FIEDMN C[C@H](c1nc2ccccc2o1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000481058403 1090138913 /nfs/dbraw/zinc/13/89/13/1090138913.db2.gz ODTKNJNSJNZSMR-OAHLLOKOSA-N 0 1 374.444 4.111 20 30 FIEDMN N#CC(C(=O)c1ccc2c(c1)CCC(=O)N2)c1nc(-c2ccccc2)cs1 ZINC000041533524 1090235098 /nfs/dbraw/zinc/23/50/98/1090235098.db2.gz BQNGGUIIRCGREU-MRXNPFEDSA-N 0 1 373.437 4.185 20 30 FIEDMN CC(=O)Nc1ccc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041536002 1090238610 /nfs/dbraw/zinc/23/86/10/1090238610.db2.gz KNXZORYAWISFTB-KRWDZBQOSA-N 0 1 361.426 4.259 20 30 FIEDMN CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041536002 1090238616 /nfs/dbraw/zinc/23/86/16/1090238616.db2.gz KNXZORYAWISFTB-KRWDZBQOSA-N 0 1 361.426 4.259 20 30 FIEDMN Cc1cc(CNC2(c3ccc(C#N)cc3)CCC2)cnc1Br ZINC000930888366 1090945586 /nfs/dbraw/zinc/94/55/86/1090945586.db2.gz YGTHZZQKRGTDKA-UHFFFAOYSA-N 0 1 356.267 4.193 20 30 FIEDMN CCc1oc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000162474349 1090973351 /nfs/dbraw/zinc/97/33/51/1090973351.db2.gz NQJZUFIDMITBTI-ZDUSSCGKSA-N 0 1 365.216 4.418 20 30 FIEDMN CC(=O)CCCCCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000123647469 1091198348 /nfs/dbraw/zinc/19/83/48/1091198348.db2.gz USJZLKHSVIHCNA-AWEZNQCLSA-N 0 1 366.820 4.056 20 30 FIEDMN C#CCOc1ccccc1CN[C@H]1CCCSc2ccc(OC)cc21 ZINC000783253216 1091277295 /nfs/dbraw/zinc/27/72/95/1091277295.db2.gz YUEAORJNVBDBMT-IBGZPJMESA-N 0 1 353.487 4.424 20 30 FIEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759846569 1091303973 /nfs/dbraw/zinc/30/39/73/1091303973.db2.gz ZPYNQJPRNXYFGD-SFHVURJKSA-N 0 1 364.804 4.109 20 30 FIEDMN N#Cc1ccc(C2=CCN(C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000759853464 1091327069 /nfs/dbraw/zinc/32/70/69/1091327069.db2.gz VAZZZFRIBIWUFL-HXUWFJFHSA-N 0 1 356.828 4.173 20 30 FIEDMN N#CC(C(=O)C1(c2ccccc2)CC1)c1nc2ccccc2n1C(F)F ZINC000193769372 1091650112 /nfs/dbraw/zinc/65/01/12/1091650112.db2.gz QAAXPDHYCDSPGV-CQSZACIVSA-N 0 1 351.356 4.339 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000508307853 1092219579 /nfs/dbraw/zinc/21/95/79/1092219579.db2.gz IINAHAFERSUJSI-UHFFFAOYSA-N 0 1 372.559 4.125 20 30 FIEDMN N#CCCn1cc(CNCc2cc(F)ccc2F)c(-c2ccccc2)n1 ZINC000113337685 1092394080 /nfs/dbraw/zinc/39/40/80/1092394080.db2.gz FSBCGIGFIKMTTG-UHFFFAOYSA-N 0 1 352.388 4.032 20 30 FIEDMN CN(CCC#N)c1ccc(CNCc2sccc2Br)cc1 ZINC000237200248 1092468727 /nfs/dbraw/zinc/46/87/27/1092468727.db2.gz GBGGANXIYMPLAU-UHFFFAOYSA-N 0 1 364.312 4.150 20 30 FIEDMN N#CC(C(=O)c1ccc(OCc2ccccn2)cc1)c1nc2ccccc2o1 ZINC000442677748 1092719500 /nfs/dbraw/zinc/71/95/00/1092719500.db2.gz IHZGBQXWNHTZRY-SFHVURJKSA-N 0 1 369.380 4.292 20 30 FIEDMN N#C[C@@H](C(=O)c1ccc(OCc2ccccn2)cc1)c1nc2ccccc2o1 ZINC000442677748 1092719509 /nfs/dbraw/zinc/71/95/09/1092719509.db2.gz IHZGBQXWNHTZRY-SFHVURJKSA-N 0 1 369.380 4.292 20 30 FIEDMN CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000521751932 1092903171 /nfs/dbraw/zinc/90/31/71/1092903171.db2.gz OYBJRIXFORCQAA-UHFFFAOYSA-N 0 1 374.444 4.344 20 30 FIEDMN Cc1nnc(NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c(C#N)c1C ZINC000521881903 1092958433 /nfs/dbraw/zinc/95/84/33/1092958433.db2.gz DDNVERGHGKLJAK-SFHVURJKSA-N 0 1 369.900 4.085 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000178656068 1092961147 /nfs/dbraw/zinc/96/11/47/1092961147.db2.gz RQPTWQASOQZMHU-RDTXWAMCSA-N 0 1 369.421 4.135 20 30 FIEDMN N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)ccc3O)s2)cc1 ZINC000436863491 1092962070 /nfs/dbraw/zinc/96/20/70/1092962070.db2.gz KPSHJYXPCAJXSX-UHFFFAOYSA-N 0 1 369.833 4.217 20 30 FIEDMN COCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512611183 1092988913 /nfs/dbraw/zinc/98/89/13/1092988913.db2.gz IOEKQETTWFXGHP-HUUCEWRRSA-N 0 1 372.440 4.143 20 30 FIEDMN CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614174344 1093051565 /nfs/dbraw/zinc/05/15/65/1093051565.db2.gz XOQOJQXRCHCJOH-UHFFFAOYSA-N 0 1 367.468 4.476 20 30 FIEDMN C[C@@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(C#N)cc1F ZINC000512637401 1093054866 /nfs/dbraw/zinc/05/48/66/1093054866.db2.gz VKRCYYBGURVIDQ-CQSZACIVSA-N 0 1 363.392 4.393 20 30 FIEDMN C[C@H]1C[C@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000439318524 1093327273 /nfs/dbraw/zinc/32/72/73/1093327273.db2.gz PABAXONERWUGNM-QFBILLFUSA-N 0 1 358.445 4.376 20 30 FIEDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512800486 1093365528 /nfs/dbraw/zinc/36/55/28/1093365528.db2.gz CLXQBDDBKRNXQU-CQSZACIVSA-N 0 1 369.396 4.210 20 30 FIEDMN Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2OC(C)C)cc1Cl ZINC000512959424 1093604877 /nfs/dbraw/zinc/60/48/77/1093604877.db2.gz ZJVJCXVUNYAWKI-UHFFFAOYSA-N 0 1 364.854 4.108 20 30 FIEDMN N#Cc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000025438839 1093777270 /nfs/dbraw/zinc/77/72/70/1093777270.db2.gz CLFJGXHJNILZDS-UHFFFAOYSA-N 0 1 357.860 4.059 20 30 FIEDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000513077942 1093780985 /nfs/dbraw/zinc/78/09/85/1093780985.db2.gz WEVWGZNTDNHPCR-RNWQKYJXSA-N 0 1 367.537 4.242 20 30 FIEDMN COc1ccccc1CN(Cc1ccc(C#N)cc1C)C[C@@H]1CCCO1 ZINC000614397708 1093815381 /nfs/dbraw/zinc/81/53/81/1093815381.db2.gz SSOAASIQVCSHAV-NRFANRHFSA-N 0 1 350.462 4.057 20 30 FIEDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 ZINC000513091226 1093828098 /nfs/dbraw/zinc/82/80/98/1093828098.db2.gz YTYRRNFMQVDHMY-RNWQKYJXSA-N 0 1 367.537 4.242 20 30 FIEDMN CC[NH+](CC)Cc1cc(C(C)=NNCCCc2ccccc2)ccc1[O-] ZINC000729148313 1093934268 /nfs/dbraw/zinc/93/42/68/1093934268.db2.gz UEVUCXBOJKGUBL-UHFFFAOYSA-N 0 1 353.510 4.180 20 30 FIEDMN CN(Cc1ccc(OCC#N)cc1)Cc1ccccc1OC(F)(F)F ZINC000729267235 1093954561 /nfs/dbraw/zinc/95/45/61/1093954561.db2.gz MZQCJDSADWJRQN-UHFFFAOYSA-N 0 1 350.340 4.120 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)c(Cl)c1 ZINC000183068762 1094274272 /nfs/dbraw/zinc/27/42/72/1094274272.db2.gz NRWJUUFUZKAFTM-UHFFFAOYSA-N 0 1 374.771 4.117 20 30 FIEDMN CC(C)Oc1ccc2ccccc2c1CNCc1cnc2ccc(C#N)cn12 ZINC000185493845 1094498985 /nfs/dbraw/zinc/49/89/85/1094498985.db2.gz LLXWNWVULMIPGM-UHFFFAOYSA-N 0 1 370.456 4.436 20 30 FIEDMN Cc1nc(Cc2ccccc2)sc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000041494213 1094620206 /nfs/dbraw/zinc/62/02/06/1094620206.db2.gz MZFQHBSSRPETKZ-HNNXBMFYSA-N 0 1 372.453 4.409 20 30 FIEDMN Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3CCc4[nH]nnc4C3)n2)cc1C ZINC000329088277 1094734688 /nfs/dbraw/zinc/73/46/88/1094734688.db2.gz VQYKRAAHIAGRGB-CYBMUJFWSA-N 0 1 367.478 4.247 20 30 FIEDMN Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3CCc4nn[nH]c4C3)n2)cc1C ZINC000329088277 1094734700 /nfs/dbraw/zinc/73/47/00/1094734700.db2.gz VQYKRAAHIAGRGB-CYBMUJFWSA-N 0 1 367.478 4.247 20 30 FIEDMN COc1ccc(C)cc1NC(=O)CNC(=O)CN1CC[C@H](C)C2(CCC2)C1 ZINC000329138328 1094754023 /nfs/dbraw/zinc/75/40/23/1094754023.db2.gz IERAAZAJCOTQCH-INIZCTEOSA-N 0 1 373.497 4.060 20 30 FIEDMN N#CC1(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)CC1 ZINC000501531271 1094756686 /nfs/dbraw/zinc/75/66/86/1094756686.db2.gz YXMCHUAZHDKWIJ-UHFFFAOYSA-N 0 1 362.473 4.165 20 30 FIEDMN O=C(NC1(c2ccc(F)cc2F)CCCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329157660 1094758307 /nfs/dbraw/zinc/75/83/07/1094758307.db2.gz DHCXCAPXEIWRGM-LBPRGKRZSA-N 0 1 360.408 4.004 20 30 FIEDMN O=C(NC1(c2ccc(F)cc2F)CCCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329157660 1094758316 /nfs/dbraw/zinc/75/83/16/1094758316.db2.gz DHCXCAPXEIWRGM-LBPRGKRZSA-N 0 1 360.408 4.004 20 30 FIEDMN O=C(NCC1(C2CC2)CCC1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000329351599 1094856213 /nfs/dbraw/zinc/85/62/13/1094856213.db2.gz UELRRRPCCNNSKM-QGZVFWFLSA-N 0 1 365.481 4.103 20 30 FIEDMN O=C(NCC1(C2CC2)CCC1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000329351599 1094856233 /nfs/dbraw/zinc/85/62/33/1094856233.db2.gz UELRRRPCCNNSKM-QGZVFWFLSA-N 0 1 365.481 4.103 20 30 FIEDMN CCc1nc2ccccc2n1C1CCN(C([O-])=[NH+][C@@H]2CC[C@H](F)C2)CC1 ZINC000329379720 1094873075 /nfs/dbraw/zinc/87/30/75/1094873075.db2.gz PMWLFYPSIAIRNZ-LSDHHAIUSA-N 0 1 358.461 4.040 20 30 FIEDMN Cc1ccc2nc(NC(=O)CN3CCC4(CCOCC4)[C@H]3C)sc2c1 ZINC000329457775 1094915788 /nfs/dbraw/zinc/91/57/88/1094915788.db2.gz QRTKIKGHPZEKPI-CQSZACIVSA-N 0 1 359.495 4.084 20 30 FIEDMN Cc1cnn([C@H]2CCN(C([O-])=[NH+]C3CCC(c4ccccc4)CC3)C2)c1 ZINC000329539184 1094958203 /nfs/dbraw/zinc/95/82/03/1094958203.db2.gz CHQZUICRSYJLGD-MHJFOBGBSA-N 0 1 352.482 4.079 20 30 FIEDMN CCc1ccc([C@@H]2CCCN(C(=O)N[C@@H]3CCCc4cn[nH]c43)C2)cc1 ZINC000329549759 1094965162 /nfs/dbraw/zinc/96/51/62/1094965162.db2.gz PCTSTQXMABOWFS-RTBURBONSA-N 0 1 352.482 4.143 20 30 FIEDMN N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000513724919 1095011384 /nfs/dbraw/zinc/01/13/84/1095011384.db2.gz NAWRCUZIPIBLJJ-UHFFFAOYSA-N 0 1 368.396 4.266 20 30 FIEDMN O=C(NC1CCN(Cc2ccncc2)CC1)N[C@H]1CCCCC12CCCC2 ZINC000329638410 1095036832 /nfs/dbraw/zinc/03/68/32/1095036832.db2.gz WDGCPWTVXPTHAZ-FQEVSTJZSA-N 0 1 370.541 4.053 20 30 FIEDMN O=C(Nc1cccc(Cl)c1O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329734939 1095240531 /nfs/dbraw/zinc/24/05/31/1095240531.db2.gz KPJCGOMTXPLWOL-KCXAZCMYSA-N 0 1 372.856 4.261 20 30 FIEDMN CC(C)(CNC(=O)N[C@@H]1CCCc2cn[nH]c21)c1cccc(Cl)c1F ZINC000329918356 1095313714 /nfs/dbraw/zinc/31/37/14/1095313714.db2.gz ZVKMWXAGEUTEOT-CQSZACIVSA-N 0 1 364.852 4.061 20 30 FIEDMN [O-]C(N[C@H](c1ccc(Cl)cc1)C1CCC1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329931720 1095319184 /nfs/dbraw/zinc/31/91/84/1095319184.db2.gz ATGHTTVAHDBZTJ-LIRRHRJNSA-N 0 1 372.900 4.144 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000329952883 1095326576 /nfs/dbraw/zinc/32/65/76/1095326576.db2.gz JANULAQLFKVQOR-QGZVFWFLSA-N 0 1 356.857 4.144 20 30 FIEDMN CC(C)(CNC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc(F)cc1Cl ZINC000330092507 1095377047 /nfs/dbraw/zinc/37/70/47/1095377047.db2.gz YUYBRYBWLNMANE-OAHLLOKOSA-N 0 1 364.852 4.061 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CCC[C@@H]1C1CCCCC1)CC2 ZINC000330113248 1095383350 /nfs/dbraw/zinc/38/33/50/1095383350.db2.gz SAFIRJAPPMPHRO-RTBURBONSA-N 0 1 358.530 4.280 20 30 FIEDMN Cc1ccccc1[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3cnn(C(C)C)c3C2)C1 ZINC000330111625 1095384254 /nfs/dbraw/zinc/38/42/54/1095384254.db2.gz RHLQYSWXXKBGSM-RTBURBONSA-N 0 1 366.509 4.033 20 30 FIEDMN O=C(N[C@H](c1ccccc1F)C1CCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330129614 1095388001 /nfs/dbraw/zinc/38/80/01/1095388001.db2.gz KBQXASFHGNUEMG-MSOLQXFVSA-N 0 1 356.445 4.361 20 30 FIEDMN CC(C)C[C@H](C)n1nccc1[NH+]=C([O-])N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000330129462 1095388656 /nfs/dbraw/zinc/38/86/56/1095388656.db2.gz OIKAJELTAKQUDZ-DOTOQJQBSA-N 0 1 372.517 4.151 20 30 FIEDMN CC(C)c1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)c2cnn(C(C)C)c2n1 ZINC000330143522 1095392263 /nfs/dbraw/zinc/39/22/63/1095392263.db2.gz YXPLZKBWXGOOJC-INIZCTEOSA-N 0 1 366.469 4.241 20 30 FIEDMN CC[C@H]1C[C@@]1(NCC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(C)c1 ZINC000502478744 1095510459 /nfs/dbraw/zinc/51/04/59/1095510459.db2.gz BQBVJSJMUZSRDH-KKSFZXQISA-N 0 1 367.880 4.374 20 30 FIEDMN Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C1)CCCC2 ZINC000330351642 1095559699 /nfs/dbraw/zinc/55/96/99/1095559699.db2.gz MNNNHYALYCHPAG-QFHJOOASSA-N 0 1 372.557 4.241 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3csc(Cc4ccccc4)n3)[nH]c21 ZINC000522830810 1095751563 /nfs/dbraw/zinc/75/15/63/1095751563.db2.gz ZAIBXUIKPRLFAI-HNNXBMFYSA-N 0 1 372.453 4.409 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Br)c(F)c3)[nH]c21 ZINC000522829196 1095756483 /nfs/dbraw/zinc/75/64/83/1095756483.db2.gz WLXBDKBBCQDUSD-NSHDSACASA-N 0 1 372.197 4.263 20 30 FIEDMN N#CCSCCCN1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502744897 1095781246 /nfs/dbraw/zinc/78/12/46/1095781246.db2.gz MWPVQZMNLRYYLX-SFHVURJKSA-N 0 1 358.486 4.390 20 30 FIEDMN Clc1ccc(C#CCN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000503166414 1096113526 /nfs/dbraw/zinc/11/35/26/1096113526.db2.gz IBDXLIKAXLCJSV-IBGZPJMESA-N 0 1 362.864 4.314 20 30 FIEDMN Clc1ccc(C#CCN2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000503166414 1096113529 /nfs/dbraw/zinc/11/35/29/1096113529.db2.gz IBDXLIKAXLCJSV-IBGZPJMESA-N 0 1 362.864 4.314 20 30 FIEDMN COCCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271887222 1096138273 /nfs/dbraw/zinc/13/82/73/1096138273.db2.gz QZCPTUZMUSAXIA-SFHVURJKSA-N 0 1 368.477 4.164 20 30 FIEDMN COCC[C@@H](NCc1ccc(OC)c(OCCCC#N)c1)c1ccc(C)o1 ZINC000272346901 1096175957 /nfs/dbraw/zinc/17/59/57/1096175957.db2.gz ULOHVNLAGQTISQ-GOSISDBHSA-N 0 1 372.465 4.147 20 30 FIEDMN CC(C)(C)Oc1cccc(CNCc2cccc(OCCCC#N)c2)n1 ZINC000503258818 1096333991 /nfs/dbraw/zinc/33/39/91/1096333991.db2.gz HPTKFDQVAWYNRJ-UHFFFAOYSA-N 0 1 353.466 4.231 20 30 FIEDMN Cc1sc(NC(=O)CN[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)c(C#N)c1C ZINC000503377276 1096379352 /nfs/dbraw/zinc/37/93/52/1096379352.db2.gz PWOQLJBVMKSGAY-WLRWDXFRSA-N 0 1 373.909 4.353 20 30 FIEDMN Cc1cc(N2CCCCCC2)ccc1N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000504414613 1096771843 /nfs/dbraw/zinc/77/18/43/1096771843.db2.gz CTTZDXIBIVQPDU-XMSQKQJNSA-N 0 1 370.541 4.230 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1C1CCC1 ZINC000532963757 1098632243 /nfs/dbraw/zinc/63/22/43/1098632243.db2.gz WMADLWMRVQINEL-QAPCUYQASA-N 0 1 357.523 4.141 20 30 FIEDMN N#Cc1ccsc1NC(=O)CN(Cc1cccc(F)c1)C1CCCC1 ZINC000533027066 1098682678 /nfs/dbraw/zinc/68/26/78/1098682678.db2.gz QQNPIJWNXPQDDJ-UHFFFAOYSA-N 0 1 357.454 4.142 20 30 FIEDMN C=CC1CCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000533287263 1098936673 /nfs/dbraw/zinc/93/66/73/1098936673.db2.gz QTGDCMBQZKAFIU-QFIPXVFZSA-N 0 1 366.530 4.120 20 30 FIEDMN N#Cc1cccc(C2(C(=O)Nc3ccc4nc(-c5ccco5)[nH]c4c3)CC2)c1 ZINC000533402012 1099012660 /nfs/dbraw/zinc/01/26/60/1099012660.db2.gz FAHADNIMHIHTND-UHFFFAOYSA-N 0 1 368.396 4.365 20 30 FIEDMN C[C@H](NCc1ccc(C#N)cc1F)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000533446824 1099071419 /nfs/dbraw/zinc/07/14/19/1099071419.db2.gz HODXMMFLVJTVJC-HNNXBMFYSA-N 0 1 374.419 4.195 20 30 FIEDMN N#CCCSc1ccccc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533689951 1099320720 /nfs/dbraw/zinc/32/07/20/1099320720.db2.gz MWRWEQWGSFSRIB-UHFFFAOYSA-N 0 1 370.858 4.286 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)c1cc(C#N)cs1)c1ccccc1Cl ZINC000437317158 1099795569 /nfs/dbraw/zinc/79/55/69/1099795569.db2.gz ZANQZWHLBRLYJL-INIZCTEOSA-N 0 1 361.898 4.086 20 30 FIEDMN CC(C)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nc1 ZINC000516942034 1099936831 /nfs/dbraw/zinc/93/68/31/1099936831.db2.gz WONKVMKGYVQTQQ-CYBMUJFWSA-N 0 1 354.360 4.440 20 30 FIEDMN CC(C)c1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)nc1 ZINC000516942034 1099936836 /nfs/dbraw/zinc/93/68/36/1099936836.db2.gz WONKVMKGYVQTQQ-CYBMUJFWSA-N 0 1 354.360 4.440 20 30 FIEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000437523355 1099968326 /nfs/dbraw/zinc/96/83/26/1099968326.db2.gz KIKYNIFGUCCSGB-ACJLOTCBSA-N 0 1 367.474 4.002 20 30 FIEDMN C=CCN(Cc1ccc([C@@H]2C[C@H]2C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536677179 1100169370 /nfs/dbraw/zinc/16/93/70/1100169370.db2.gz YFIDCFKYNAMPEN-GQIGUUNPSA-N 0 1 363.465 4.128 20 30 FIEDMN C=CCN(CC=C)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000536803209 1100308517 /nfs/dbraw/zinc/30/85/17/1100308517.db2.gz QRBCAZFNFDNSGD-UHFFFAOYSA-N 0 1 374.313 4.423 20 30 FIEDMN FC(F)(F)[C@H]1CCN(CC#Cc2ccc(Cl)cc2)CC12CCOCC2 ZINC000459660855 1100406870 /nfs/dbraw/zinc/40/68/70/1100406870.db2.gz LPKKQIYBKGGBJP-KRWDZBQOSA-N 0 1 371.830 4.373 20 30 FIEDMN N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000438724462 1100885761 /nfs/dbraw/zinc/88/57/61/1100885761.db2.gz OYXGENGJPUQRAU-LJQANCHMSA-N 0 1 353.853 4.377 20 30 FIEDMN CC(C)(C)N1CC[C@@H](Nc2cc(C#N)ncn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000518669198 1101401097 /nfs/dbraw/zinc/40/10/97/1101401097.db2.gz DYFLBIRIIZXIIY-SJLPKXTDSA-N 0 1 373.863 4.167 20 30 FIEDMN C[C@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(C#N)c(F)c1 ZINC000537408794 1101756271 /nfs/dbraw/zinc/75/62/71/1101756271.db2.gz NDWQSWXKXGNINE-HNNXBMFYSA-N 0 1 374.419 4.195 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000127519627 1101821104 /nfs/dbraw/zinc/82/11/04/1101821104.db2.gz LQVVXDANLLJIOW-QWHCGFSZSA-N 0 1 361.367 4.255 20 30 FIEDMN O=C1c2ccc(Br)cc2C/C1=C/c1cc(F)c(O)c(F)c1 ZINC000760230831 1101906633 /nfs/dbraw/zinc/90/66/33/1101906633.db2.gz XYNBBAGHHNRKBP-KMKOMSMNSA-N 0 1 351.146 4.255 20 30 FIEDMN N#C[C@H](C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccncn1 ZINC000760350490 1101931502 /nfs/dbraw/zinc/93/15/02/1101931502.db2.gz AEJPETIDNQRKSA-ILXRZTDVSA-N 0 1 360.442 4.013 20 30 FIEDMN N#CC(C(=O)C=Cc1cc(C(F)(F)F)ccc1Cl)c1ccncn1 ZINC000760353476 1101934882 /nfs/dbraw/zinc/93/48/82/1101934882.db2.gz PYKICWSWXRCMJI-FXZDBVEHSA-N 0 1 351.715 4.038 20 30 FIEDMN C[C@H](c1nc2ccccc2s1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000610447496 1102052739 /nfs/dbraw/zinc/05/27/39/1102052739.db2.gz OTLQCKVYKCUYOT-MRXNPFEDSA-N 0 1 356.539 4.305 20 30 FIEDMN N#Cc1ccsc1C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000052036219 1102238471 /nfs/dbraw/zinc/23/84/71/1102238471.db2.gz DXFBDCFVCLHZIU-UHFFFAOYSA-N 0 1 371.425 4.324 20 30 FIEDMN Cc1cc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n[nH]1 ZINC000120743067 1102244727 /nfs/dbraw/zinc/24/47/27/1102244727.db2.gz UWIJTWSVSFANSV-GOSISDBHSA-N 0 1 364.836 4.208 20 30 FIEDMN CCOC(=O)c1csc(C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000191574328 1102317803 /nfs/dbraw/zinc/31/78/03/1102317803.db2.gz PYOPXXSUADZXOB-AWEZNQCLSA-N 0 1 369.490 4.132 20 30 FIEDMN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000532468769 1102388136 /nfs/dbraw/zinc/38/81/36/1102388136.db2.gz OGKCTPICXLONFI-UHFFFAOYSA-N 0 1 374.444 4.498 20 30 FIEDMN C#CCOc1ccccc1CNCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000048741775 1102418442 /nfs/dbraw/zinc/41/84/42/1102418442.db2.gz NAYNIYSACFRRGF-UHFFFAOYSA-N 0 1 362.404 4.315 20 30 FIEDMN CC(C)CN(CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000532499216 1102440503 /nfs/dbraw/zinc/44/05/03/1102440503.db2.gz LAVMVAINMBAAJZ-UHFFFAOYSA-N 0 1 355.869 4.308 20 30 FIEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000532519851 1102451934 /nfs/dbraw/zinc/45/19/34/1102451934.db2.gz RWTSNTADFHBPLE-HUUCEWRRSA-N 0 1 367.518 4.171 20 30 FIEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)C[C@@H](C)c1ccccc1 ZINC000532519851 1102451944 /nfs/dbraw/zinc/45/19/44/1102451944.db2.gz RWTSNTADFHBPLE-HUUCEWRRSA-N 0 1 367.518 4.171 20 30 FIEDMN C[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc(C#N)c1 ZINC000473680331 1102513869 /nfs/dbraw/zinc/51/38/69/1102513869.db2.gz VKIPFPIDKONAHR-SJKOYZFVSA-N 0 1 374.271 4.321 20 30 FIEDMN C[C@@H]1Cc2ccc(Br)cc2CN1CCc1ccc(C#N)cc1 ZINC001168253183 1102662711 /nfs/dbraw/zinc/66/27/11/1102662711.db2.gz XYAAJQIKPXEACE-CQSZACIVSA-N 0 1 355.279 4.310 20 30 FIEDMN C[C@H]1Cc2ccc(Br)cc2CN1CCc1ccc(C#N)cc1 ZINC001168253178 1102663189 /nfs/dbraw/zinc/66/31/89/1102663189.db2.gz XYAAJQIKPXEACE-AWEZNQCLSA-N 0 1 355.279 4.310 20 30 FIEDMN C=C[C@@H](CC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000122979164 1102704035 /nfs/dbraw/zinc/70/40/35/1102704035.db2.gz CFKSWCKUFFSBTN-AZUAARDMSA-N 0 1 352.478 4.283 20 30 FIEDMN C[C@@](O)(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000550978143 1102741138 /nfs/dbraw/zinc/74/11/38/1102741138.db2.gz OWUZBRZMLKNMQA-SNVBAGLBSA-N 0 1 369.227 4.127 20 30 FIEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2sc3ccc(C#N)cc3c2C)n[nH]1 ZINC000506859581 1102897231 /nfs/dbraw/zinc/89/72/31/1102897231.db2.gz FRGJYNAGSBDODN-CMPLNLGQSA-N 0 1 367.478 4.204 20 30 FIEDMN C=C(Br)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000729681723 1103037752 /nfs/dbraw/zinc/03/77/52/1103037752.db2.gz IUOSSWZXGNSITD-UHFFFAOYSA-N 0 1 353.241 4.322 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC001211975932 1103137609 /nfs/dbraw/zinc/13/76/09/1103137609.db2.gz USYVBWYFGSNVFI-SJORKVTESA-N 0 1 363.889 4.468 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccccc2OCC)no1 ZINC001211976024 1103139092 /nfs/dbraw/zinc/13/90/92/1103139092.db2.gz XKLHWOFYOUOXFG-AEFFLSMTSA-N 0 1 373.497 4.213 20 30 FIEDMN OCCN(CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCc2ccccc21 ZINC000426995331 1103150432 /nfs/dbraw/zinc/15/04/32/1103150432.db2.gz OXUMLHLPFZSXJT-FQEVSTJZSA-N 0 1 359.391 4.039 20 30 FIEDMN CN(C)[C@@H]1CCOc2c(NC(=O)C[C@H](CC#N)c3ccccc3)cccc21 ZINC000477159661 1103179160 /nfs/dbraw/zinc/17/91/60/1103179160.db2.gz WMPYRUHBXFHVOY-FXAWDEMLSA-N 0 1 363.461 4.098 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(F)c1 ZINC000532780863 1103202478 /nfs/dbraw/zinc/20/24/78/1103202478.db2.gz XSGVWFFLIFYTSK-OAHLLOKOSA-N 0 1 353.372 4.357 20 30 FIEDMN CC(C)(NCC(=O)Nc1sccc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000507371718 1103345493 /nfs/dbraw/zinc/34/54/93/1103345493.db2.gz PYNWUZAPOCEUFN-UHFFFAOYSA-N 0 1 368.289 4.390 20 30 FIEDMN N#Cc1ccc(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)cc1O ZINC000427504985 1103613431 /nfs/dbraw/zinc/61/34/31/1103613431.db2.gz LYOUVZWNARDSRO-UHFFFAOYSA-N 0 1 360.335 4.339 20 30 FIEDMN CCN(CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CC1 ZINC000440716663 1103913789 /nfs/dbraw/zinc/91/37/89/1103913789.db2.gz QKUWIYXAMCDDFK-IBGZPJMESA-N 0 1 367.880 4.418 20 30 FIEDMN C=CCC[C@H](C(=O)Nc1nc(-c2ccccc2OC)n[nH]1)c1ccccc1 ZINC000188200848 1104076973 /nfs/dbraw/zinc/07/69/73/1104076973.db2.gz QIYXFKJBFJBIQJ-INIZCTEOSA-N 0 1 362.433 4.169 20 30 FIEDMN CCOC(=O)[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)Cc2ccccc21 ZINC000441112338 1104136427 /nfs/dbraw/zinc/13/64/27/1104136427.db2.gz CZTRQQKCHHQXPS-HXUWFJFHSA-N 0 1 362.473 4.150 20 30 FIEDMN N#Cc1ccc(-c2nnc(CN3CCC[C@@H](Cc4ccccc4)C3)o2)cc1 ZINC000441307780 1104267359 /nfs/dbraw/zinc/26/73/59/1104267359.db2.gz FDIIYPWZIBQMQM-IBGZPJMESA-N 0 1 358.445 4.063 20 30 FIEDMN Cc1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000328654340 1104525837 /nfs/dbraw/zinc/52/58/37/1104525837.db2.gz LRWYDFHJGMXABY-QZTJIDSGSA-N 0 1 366.509 4.384 20 30 FIEDMN O=C(NCCN1CCC2(CCCCC2)CC1)[C@@H]1CCC(=O)c2cccn21 ZINC000328719921 1104533741 /nfs/dbraw/zinc/53/37/41/1104533741.db2.gz QKRAGZGCDLRTJI-SFHVURJKSA-N 0 1 357.498 4.009 20 30 FIEDMN Cc1cc([C@H]2CCCN(C([O-])=[NH+][C@@H]3CCC[C@H]3c3ccccc3)C2)n[nH]1 ZINC000328704764 1104541959 /nfs/dbraw/zinc/54/19/59/1104541959.db2.gz OYYFNGQFBFKIHA-GBESFXJTSA-N 0 1 352.482 4.148 20 30 FIEDMN Cc1cc([C@H]2CCCN(C([O-])=[NH+][C@@H]3CCC[C@H]3c3ccccc3)C2)[nH]n1 ZINC000328704764 1104541970 /nfs/dbraw/zinc/54/19/70/1104541970.db2.gz OYYFNGQFBFKIHA-GBESFXJTSA-N 0 1 352.482 4.148 20 30 FIEDMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[C@@H](C2CCOCC2)C1 ZINC000328859299 1104580502 /nfs/dbraw/zinc/58/05/02/1104580502.db2.gz UYOPHZOCQDTFBL-UKRRQHHQSA-N 0 1 366.889 4.074 20 30 FIEDMN Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000328866492 1104583406 /nfs/dbraw/zinc/58/34/06/1104583406.db2.gz BYUPVBJISXIHIM-ZDUSSCGKSA-N 0 1 370.478 4.035 20 30 FIEDMN CC(C)Cn1cc(NC(=O)[C@H]2CCCN2C2CCCC2)c(C(F)F)n1 ZINC000328903316 1104584172 /nfs/dbraw/zinc/58/41/72/1104584172.db2.gz HSOMBRKPPUEPLR-OAHLLOKOSA-N 0 1 354.445 4.472 20 30 FIEDMN Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cccc(Cl)c1O ZINC000328938697 1104595756 /nfs/dbraw/zinc/59/57/56/1104595756.db2.gz KEXKNOAGVJJBPB-SNVBAGLBSA-N 0 1 352.843 4.341 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000328905594 1104597650 /nfs/dbraw/zinc/59/76/50/1104597650.db2.gz AXKCNZZZHBSYNV-LJQANCHMSA-N 0 1 352.482 4.342 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC[C@@H]1C1CCC1 ZINC000328905594 1104597660 /nfs/dbraw/zinc/59/76/60/1104597660.db2.gz AXKCNZZZHBSYNV-LJQANCHMSA-N 0 1 352.482 4.342 20 30 FIEDMN C=CCc1cc(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(O)c(OC)c1 ZINC000164497751 1104768371 /nfs/dbraw/zinc/76/83/71/1104768371.db2.gz MOSHMEJENUYXBT-AUUYWEPGSA-N 0 1 359.491 4.153 20 30 FIEDMN C=CC[C@@H](C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1ccccc1 ZINC000188940093 1104771188 /nfs/dbraw/zinc/77/11/88/1104771188.db2.gz YNODTOPDNDRSBK-WOJBJXKFSA-N 0 1 352.478 4.201 20 30 FIEDMN CC(C)c1ccccc1S(=O)(=O)Nc1cc(C#N)c2ccccc2n1 ZINC000508125470 1105334559 /nfs/dbraw/zinc/33/45/59/1105334559.db2.gz ONGQZSAXTGPKBM-UHFFFAOYSA-N 0 1 351.431 4.031 20 30 FIEDMN C=C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000428039802 1105347804 /nfs/dbraw/zinc/34/78/04/1105347804.db2.gz TUDRXDYHLHZDQS-AWEZNQCLSA-N 0 1 360.255 4.020 20 30 FIEDMN N#Cc1csc(CNCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000152344497 1106991301 /nfs/dbraw/zinc/99/13/01/1106991301.db2.gz YSSCDQAECLSFNA-UHFFFAOYSA-N 0 1 365.433 4.301 20 30 FIEDMN N#Cc1cccc(CC(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1 ZINC000530919472 1107396909 /nfs/dbraw/zinc/39/69/09/1107396909.db2.gz QXPKRCXHWQHTNS-UHFFFAOYSA-N 0 1 370.387 4.422 20 30 FIEDMN C[C@]1(CCc2ccccc2)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000530963858 1107425431 /nfs/dbraw/zinc/42/54/31/1107425431.db2.gz HGZWCQLLLPOZDR-QHCPKHFHSA-N 0 1 372.472 4.453 20 30 FIEDMN CC(C)N1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC001126600751 1107533075 /nfs/dbraw/zinc/53/30/75/1107533075.db2.gz SANFKSRJHHKWGL-SFHVURJKSA-N 0 1 367.424 4.301 20 30 FIEDMN N#CCCCOc1cccc(CN2CC(c3nc(-c4ccccc4)no3)C2)c1 ZINC000897320306 1107876319 /nfs/dbraw/zinc/87/63/19/1107876319.db2.gz SRNVIAWBEGPOST-UHFFFAOYSA-N 0 1 374.444 4.019 20 30 FIEDMN C=C(C)COc1cc(CN[C@H](COC)c2ccc(F)cc2)ccc1OC ZINC000531445024 1107903135 /nfs/dbraw/zinc/90/31/35/1107903135.db2.gz VUZPUOGUWXOASH-LJQANCHMSA-N 0 1 359.441 4.267 20 30 FIEDMN COc1ccc(C#N)cc1CN[C@@H](C)c1ccc(Br)s1 ZINC000444763943 1108159739 /nfs/dbraw/zinc/15/97/39/1108159739.db2.gz WBTPMNWZZHHMOK-JTQLQIEISA-N 0 1 351.269 4.242 20 30 FIEDMN C=CC[C@H]1N(CC(=O)Nc2ccccc2OC(F)F)CCCC1(C)C ZINC000444776096 1108170816 /nfs/dbraw/zinc/17/08/16/1108170816.db2.gz AYTMLTUREPYXLU-MRXNPFEDSA-N 0 1 352.425 4.293 20 30 FIEDMN CC1CC(C#N)(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)C1 ZINC000531808020 1108215640 /nfs/dbraw/zinc/21/56/40/1108215640.db2.gz JNYUMIXGBCXNTM-UHFFFAOYSA-N 0 1 366.371 4.386 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 ZINC000508514019 1108333190 /nfs/dbraw/zinc/33/31/90/1108333190.db2.gz UMKSUGPFDRQZRQ-UHFFFAOYSA-N 0 1 355.441 4.443 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)nn1C(C)C ZINC000453625572 1108651710 /nfs/dbraw/zinc/65/17/10/1108651710.db2.gz KNKSBCBNAMJLDL-LBPRGKRZSA-N 0 1 357.364 4.007 20 30 FIEDMN CCCOc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)c(OC)c1 ZINC000453615761 1108661887 /nfs/dbraw/zinc/66/18/87/1108661887.db2.gz GDQGGVTVHJNTCS-HNNXBMFYSA-N 0 1 350.374 4.115 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(Br)c3)[nH]c21 ZINC000524031623 1108761689 /nfs/dbraw/zinc/76/16/89/1108761689.db2.gz KRIBBHUWRRDTRH-CYBMUJFWSA-N 0 1 354.207 4.124 20 30 FIEDMN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000508530738 1108811627 /nfs/dbraw/zinc/81/16/27/1108811627.db2.gz ZCLDIRQOQWGQGL-UHFFFAOYSA-N 0 1 366.358 4.365 20 30 FIEDMN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000445726929 1108966957 /nfs/dbraw/zinc/96/69/57/1108966957.db2.gz VFQYMSJXTVALCU-APWZRJJASA-N 0 1 361.873 4.109 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000524890083 1109196572 /nfs/dbraw/zinc/19/65/72/1109196572.db2.gz YJAKMXITTPXLHC-AVRDEDQJSA-N 0 1 366.480 4.288 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000524908099 1109199305 /nfs/dbraw/zinc/19/93/05/1109199305.db2.gz MXULSXOIOZZBRR-KKSFZXQISA-N 0 1 368.502 4.124 20 30 FIEDMN C=CCc1ccccc1OC[C@@H](O)CN(C)[C@H](C)c1sc(CC)nc1C ZINC000525634955 1109463496 /nfs/dbraw/zinc/46/34/96/1109463496.db2.gz BDLCPNSMAMGTED-AEFFLSMTSA-N 0 1 374.550 4.175 20 30 FIEDMN C[C@@H](c1cccc(C#N)c1)N1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447398603 1109533154 /nfs/dbraw/zinc/53/31/54/1109533154.db2.gz SNKJTOJYPOEVDY-ROUUACIJSA-N 0 1 356.473 4.378 20 30 FIEDMN Cc1sc(NC(=O)CN(C)[C@H](C)Cc2ccccc2C)c(C#N)c1C ZINC000447403568 1109534936 /nfs/dbraw/zinc/53/49/36/1109534936.db2.gz GBABNNQKZZVRDR-CQSZACIVSA-N 0 1 355.507 4.047 20 30 FIEDMN CC[C@H](NCc1cn2cc(Br)ccc2n1)c1ccc(C#N)cc1 ZINC000447537889 1109572085 /nfs/dbraw/zinc/57/20/85/1109572085.db2.gz ZFVIZPGNVWPQNU-KRWDZBQOSA-N 0 1 369.266 4.209 20 30 FIEDMN CC[C@H](N[C@@H](CCO)c1ccccc1Br)c1ccc(C#N)cc1 ZINC000447605798 1109600102 /nfs/dbraw/zinc/60/01/02/1109600102.db2.gz KFESFXVICNEOPI-OALUTQOASA-N 0 1 373.294 4.485 20 30 FIEDMN Cc1oc(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000448028643 1109705375 /nfs/dbraw/zinc/70/53/75/1109705375.db2.gz OWQDSJMVANCMGK-QUCCMNQESA-N 0 1 365.477 4.283 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000448028643 1109705380 /nfs/dbraw/zinc/70/53/80/1109705380.db2.gz OWQDSJMVANCMGK-QUCCMNQESA-N 0 1 365.477 4.283 20 30 FIEDMN CCN(Cc1cc2c(cc1OC(F)F)OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000508606664 1109706855 /nfs/dbraw/zinc/70/68/55/1109706855.db2.gz YDFWMPNVSFPGHE-ZDUSSCGKSA-N 0 1 374.387 4.471 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@@H](Cc2ccc(F)cc2)C(C)C)c(C#N)c1C ZINC000448131981 1109728290 /nfs/dbraw/zinc/72/82/90/1109728290.db2.gz FBDHUPSMUNGKDE-IBGZPJMESA-N 0 1 371.456 4.045 20 30 FIEDMN N#Cc1cccc(OC2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)c1 ZINC000527356235 1109748352 /nfs/dbraw/zinc/74/83/52/1109748352.db2.gz ULOPBAFSZYENFB-UHFFFAOYSA-N 0 1 364.474 4.053 20 30 FIEDMN CCOc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)c(F)cc1OC ZINC000527719521 1109816199 /nfs/dbraw/zinc/81/61/99/1109816199.db2.gz GZVLESYZSIKHES-IBGZPJMESA-N 0 1 354.425 4.272 20 30 FIEDMN COc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1OCCCC#N ZINC000527773786 1109826418 /nfs/dbraw/zinc/82/64/18/1109826418.db2.gz QWIXZPQDVCTVEY-QFIPXVFZSA-N 0 1 365.477 4.404 20 30 FIEDMN CN(C)C[C@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000527809139 1109827639 /nfs/dbraw/zinc/82/76/39/1109827639.db2.gz NCGXJNFFNBLBEK-SFHVURJKSA-N 0 1 366.267 4.397 20 30 FIEDMN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000527996437 1109880650 /nfs/dbraw/zinc/88/06/50/1109880650.db2.gz DAMPEZGRKTWSSR-AUUYWEPGSA-N 0 1 356.853 4.032 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000449349018 1110037765 /nfs/dbraw/zinc/03/77/65/1110037765.db2.gz NUGMHJPQHOIXOH-HNNXBMFYSA-N 0 1 356.422 4.409 20 30 FIEDMN C[C@H](N[C@@H](c1ccccn1)C1CCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000528654318 1110063440 /nfs/dbraw/zinc/06/34/40/1110063440.db2.gz BOOKBQBEVOBQSS-ORAYPTAESA-N 0 1 368.868 4.065 20 30 FIEDMN CN(C)C[C@H](NCc1cccc(F)c1C#N)c1ccc(Cl)c(Cl)c1 ZINC000528764143 1110105375 /nfs/dbraw/zinc/10/53/75/1110105375.db2.gz ACNYDKFWRDIFCK-SFHVURJKSA-N 0 1 366.267 4.397 20 30 FIEDMN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCC12CC2 ZINC000528915375 1110149297 /nfs/dbraw/zinc/14/92/97/1110149297.db2.gz CSCOGWVEFBHFMQ-NWDGAFQWSA-N 0 1 351.233 4.221 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cc(OC(F)F)ccc2F)n1 ZINC000528965480 1110163964 /nfs/dbraw/zinc/16/39/64/1110163964.db2.gz CRQNGIMMJPPVIG-LLVKDONJSA-N 0 1 354.353 4.497 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4cccc(C#N)c4[N+](=O)[O-])C3)[nH]c2c1 ZINC000450434430 1110297440 /nfs/dbraw/zinc/29/74/40/1110297440.db2.gz MWYUKNFUTZTJJL-HNNXBMFYSA-N 0 1 361.405 4.035 20 30 FIEDMN Cc1sc(NC(=O)CN[C@@H](c2ccc(F)c(C)c2)C2CC2)c(C#N)c1C ZINC000538322826 1111090692 /nfs/dbraw/zinc/09/06/92/1111090692.db2.gz ABZWCWPSJFGFOL-LJQANCHMSA-N 0 1 371.481 4.364 20 30 FIEDMN N#Cc1c(F)cccc1N1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538664454 1111233645 /nfs/dbraw/zinc/23/36/45/1111233645.db2.gz PENMGNGHAJVNRL-HNNXBMFYSA-N 0 1 353.445 4.247 20 30 FIEDMN N#Cc1c(F)cccc1N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538664454 1111233648 /nfs/dbraw/zinc/23/36/48/1111233648.db2.gz PENMGNGHAJVNRL-HNNXBMFYSA-N 0 1 353.445 4.247 20 30 FIEDMN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000539252360 1111487704 /nfs/dbraw/zinc/48/77/04/1111487704.db2.gz JYZDESLBNRJGRS-SUMWQHHRSA-N 0 1 373.403 4.228 20 30 FIEDMN N#CCC[N@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CC1CC1 ZINC000478047284 1111664341 /nfs/dbraw/zinc/66/43/41/1111664341.db2.gz PLIWCFIFUFBMTN-UHFFFAOYSA-N 0 1 363.461 4.433 20 30 FIEDMN N#CCCN(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CC1CC1 ZINC000478047284 1111664344 /nfs/dbraw/zinc/66/43/44/1111664344.db2.gz PLIWCFIFUFBMTN-UHFFFAOYSA-N 0 1 363.461 4.433 20 30 FIEDMN C=CCN(CCC#N)C(=O)[C@@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC000552779602 1111810092 /nfs/dbraw/zinc/81/00/92/1111810092.db2.gz PWQIAFPBEZZHIZ-QGZVFWFLSA-N 0 1 367.415 4.017 20 30 FIEDMN CC(C)[C@H]1CC[C@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CC1 ZINC000479211642 1111969179 /nfs/dbraw/zinc/96/91/79/1111969179.db2.gz FSKJJUKMQRNKGH-MEMLXQNLSA-N 0 1 367.537 4.123 20 30 FIEDMN N#CC1(NC(=O)CC2CCCCCC2)CCN(Cc2ccccc2)CC1 ZINC000479245456 1111973038 /nfs/dbraw/zinc/97/30/38/1111973038.db2.gz NNSIOIULERJINE-UHFFFAOYSA-N 0 1 353.510 4.021 20 30 FIEDMN N#CC1(NC(=O)CC/C=C\c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000479315304 1111990060 /nfs/dbraw/zinc/99/00/60/1111990060.db2.gz WTMUKUVQFSPVQR-XFFZJAGNSA-N 0 1 373.500 4.155 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CC(C)(C)Oc4ccccc43)[nH]c21 ZINC000842306252 1112928222 /nfs/dbraw/zinc/92/82/22/1112928222.db2.gz HLUQJPCPFBNWSY-HZPDHXFCSA-N 0 1 359.429 4.393 20 30 FIEDMN C=C(C)[C@H](NC[C@@H](O)COc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000481597046 1112992379 /nfs/dbraw/zinc/99/23/79/1112992379.db2.gz KLCLBMHQAABNPL-KUHUBIRLSA-N 0 1 367.823 4.265 20 30 FIEDMN C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCC(C)(C)CCC#N)c1 ZINC000482625795 1113317027 /nfs/dbraw/zinc/31/70/27/1113317027.db2.gz XLCRGLAMKUKMOW-INIZCTEOSA-N 0 1 374.504 4.380 20 30 FIEDMN CC(C)Cn1ncc2cc(C(=O)C(C#N)c3nccc4ccccc43)cnc21 ZINC000483187986 1113463537 /nfs/dbraw/zinc/46/35/37/1113463537.db2.gz AKGASXTUYGRNBP-IBGZPJMESA-N 0 1 369.428 4.126 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nccc3ccccc32)cnn1-c1ccccc1F ZINC000483207098 1113465435 /nfs/dbraw/zinc/46/54/35/1113465435.db2.gz VNFNLJNXNLCCDX-KRWDZBQOSA-N 0 1 370.387 4.358 20 30 FIEDMN CN(C)c1cc(C(=O)C(C#N)c2nccc3ccccc32)c2ccccc2n1 ZINC000483210998 1113466249 /nfs/dbraw/zinc/46/62/49/1113466249.db2.gz FRMSJFZZSBEYOU-IBGZPJMESA-N 0 1 366.424 4.339 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nccc3ccccc32)cnn1-c1ccccc1 ZINC000483221291 1113467896 /nfs/dbraw/zinc/46/78/96/1113467896.db2.gz YRGJEFKKQKURLY-LJQANCHMSA-N 0 1 352.397 4.219 20 30 FIEDMN N#C[C@H](C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nccc2ccccc21 ZINC000483243800 1113470793 /nfs/dbraw/zinc/47/07/93/1113470793.db2.gz YNHPNZDBZVXIPL-HNNXBMFYSA-N 0 1 374.350 4.189 20 30 FIEDMN N#CC(C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nccc2ccccc21 ZINC000483243800 1113470796 /nfs/dbraw/zinc/47/07/96/1113470796.db2.gz YNHPNZDBZVXIPL-HNNXBMFYSA-N 0 1 374.350 4.189 20 30 FIEDMN COc1cccc(CN(Cc2ccc(C#N)c(C)c2)C[C@H]2CCCO2)c1 ZINC000486729456 1113632006 /nfs/dbraw/zinc/63/20/06/1113632006.db2.gz LCHPPRCVXDEERZ-JOCHJYFZSA-N 0 1 350.462 4.057 20 30 FIEDMN C=CCn1cccc1C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000488545170 1113949831 /nfs/dbraw/zinc/94/98/31/1113949831.db2.gz AXGNIZHXXJMMNO-OAQYLSRUSA-N 0 1 356.429 4.070 20 30 FIEDMN CCN(CCc1ccccc1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000488571890 1113952714 /nfs/dbraw/zinc/95/27/14/1113952714.db2.gz UFJIBGJCEJEPGY-HNNXBMFYSA-N 0 1 367.518 4.000 20 30 FIEDMN N#Cc1ccc(Oc2ccc(C(=O)Nc3nc4ccc(F)cc4[nH]3)cc2)nc1 ZINC000488916730 1114014830 /nfs/dbraw/zinc/01/48/30/1114014830.db2.gz USZYTKWIZKHVQZ-UHFFFAOYSA-N 0 1 373.347 4.013 20 30 FIEDMN N#Cc1c(F)cccc1Oc1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000570279741 1114014873 /nfs/dbraw/zinc/01/48/73/1114014873.db2.gz XDHZIEMFEKRQNM-UHFFFAOYSA-N 0 1 364.380 4.268 20 30 FIEDMN CN1CCc2ccc(C(=O)C(C#N)c3nc(-c4ccccc4)cs3)cc21 ZINC000570359635 1114056878 /nfs/dbraw/zinc/05/68/78/1114056878.db2.gz IEHVCAFJDMHCCL-KRWDZBQOSA-N 0 1 359.454 4.292 20 30 FIEDMN Cc1ccc(-c2ccc(C=Nn3c(=S)[nH]nc3C(F)(F)F)o2)cc1 ZINC000912784815 1114202989 /nfs/dbraw/zinc/20/29/89/1114202989.db2.gz BGKHJXVDCOOGHV-UHFFFAOYSA-N 0 1 352.341 4.036 20 30 FIEDMN CCCCCCCCC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000913475446 1114356881 /nfs/dbraw/zinc/35/68/81/1114356881.db2.gz YTZHFSKAOXIEAW-UHFFFAOYSA-N 0 1 360.542 4.480 20 30 FIEDMN CCCCCCCCC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000913475446 1114356886 /nfs/dbraw/zinc/35/68/86/1114356886.db2.gz YTZHFSKAOXIEAW-UHFFFAOYSA-N 0 1 360.542 4.480 20 30 FIEDMN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)c(Br)c1 ZINC000586778945 1114391777 /nfs/dbraw/zinc/39/17/77/1114391777.db2.gz ILCWZMXHDARZLP-SFHVURJKSA-N 0 1 357.251 4.106 20 30 FIEDMN N#Cc1cc(Cl)cc(Br)c1N1CCC[C@@H](N2CCCC2)C1 ZINC000587313349 1114436362 /nfs/dbraw/zinc/43/63/62/1114436362.db2.gz GGUMMYPYFLCGMA-CQSZACIVSA-N 0 1 368.706 4.039 20 30 FIEDMN CSc1cccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000055548281 1114496368 /nfs/dbraw/zinc/49/63/68/1114496368.db2.gz FYOPVICHKZMATI-UHFFFAOYSA-N 0 1 372.393 4.100 20 30 FIEDMN CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccnc(OC3CCC3)c2)s1 ZINC000571858263 1114545655 /nfs/dbraw/zinc/54/56/55/1114545655.db2.gz VXQXKPOPLGUSBN-AWEZNQCLSA-N 0 1 355.463 4.257 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccnc(OC3CCC3)c2)s1 ZINC000571858263 1114545657 /nfs/dbraw/zinc/54/56/57/1114545657.db2.gz VXQXKPOPLGUSBN-AWEZNQCLSA-N 0 1 355.463 4.257 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000589740541 1114831378 /nfs/dbraw/zinc/83/13/78/1114831378.db2.gz XQOSKZIACHSREF-LJQANCHMSA-N 0 1 369.465 4.193 20 30 FIEDMN N#Cc1cc(CN2CCCC[C@H]2Cc2ccccc2Br)ccn1 ZINC000590209608 1114906680 /nfs/dbraw/zinc/90/66/80/1114906680.db2.gz ULRZBLDKMPXCAL-SFHVURJKSA-N 0 1 370.294 4.313 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4nc(C#N)c(Cl)s4)C3)[nH]c2c1 ZINC000590582058 1114950600 /nfs/dbraw/zinc/95/06/00/1114950600.db2.gz RBJCCJKSAFTZAP-NSHDSACASA-N 0 1 357.870 4.237 20 30 FIEDMN C=CCc1cc(CN[C@@H](COC)c2cccc(Cl)c2)cc(OC)c1O ZINC000573282741 1115083819 /nfs/dbraw/zinc/08/38/19/1115083819.db2.gz KZIAQINLORQTDV-SFHVURJKSA-N 0 1 361.869 4.260 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)o1 ZINC000591888378 1115164663 /nfs/dbraw/zinc/16/46/63/1115164663.db2.gz YDCZGDIDFUNIEZ-ZDUSSCGKSA-N 0 1 371.506 4.432 20 30 FIEDMN N#Cc1cnn2cc(C[N@H+]3CCCCC[C@@H]3/C=C/c3cccs3)cnc12 ZINC000592507718 1115334349 /nfs/dbraw/zinc/33/43/49/1115334349.db2.gz YSHNUAORTRBPTJ-LKGOPFMKSA-N 0 1 363.490 4.120 20 30 FIEDMN N#Cc1cnn2cc(CN3CCCCC[C@@H]3/C=C/c3cccs3)cnc12 ZINC000592507718 1115334351 /nfs/dbraw/zinc/33/43/51/1115334351.db2.gz YSHNUAORTRBPTJ-LKGOPFMKSA-N 0 1 363.490 4.120 20 30 FIEDMN N#C[C@@H]1CC[C@H](N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 ZINC000594043400 1115367590 /nfs/dbraw/zinc/36/75/90/1115367590.db2.gz MISAFCSWLSITFJ-NEPJUHHUSA-N 0 1 358.700 4.461 20 30 FIEDMN COc1ccc(OC(F)F)c(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594499000 1115451030 /nfs/dbraw/zinc/45/10/30/1115451030.db2.gz YKKXROXUBAZGGO-UHFFFAOYSA-N 0 1 360.404 4.388 20 30 FIEDMN CC(C)(CO)[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1cccnc1 ZINC000595501000 1115538866 /nfs/dbraw/zinc/53/88/66/1115538866.db2.gz QLYOGLJVSXNUGV-QHCPKHFHSA-N 0 1 371.484 4.470 20 30 FIEDMN N#CC1(CCCN2CC[C@@H]2c2ccc(Br)cc2)CCOCC1 ZINC000595846200 1115564027 /nfs/dbraw/zinc/56/40/27/1115564027.db2.gz WQLUBQKMMCSWBX-QGZVFWFLSA-N 0 1 363.299 4.296 20 30 FIEDMN N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc(C4CC4)cc3)CC2)c1 ZINC000593176455 1115590439 /nfs/dbraw/zinc/59/04/39/1115590439.db2.gz IOYJYEWNWVCNQU-UHFFFAOYSA-N 0 1 374.488 4.222 20 30 FIEDMN N#CC1(CC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)CCCCC1 ZINC000596967055 1115630096 /nfs/dbraw/zinc/63/00/96/1115630096.db2.gz IRWYWRAGWRFDAB-KRWDZBQOSA-N 0 1 352.438 4.217 20 30 FIEDMN N#Cc1nc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc2[nH]cnc21 ZINC001168411213 1115664735 /nfs/dbraw/zinc/66/47/35/1115664735.db2.gz SCKVKSAVTHEOKI-UHFFFAOYSA-N 0 1 363.380 4.006 20 30 FIEDMN C[C@H]1CCc2sc(NC(=O)c3ocnc3C(F)F)c(C#N)c2[C@H]1C ZINC000602344916 1115698069 /nfs/dbraw/zinc/69/80/69/1115698069.db2.gz XJODDDFHHXGHFG-YUMQZZPRSA-N 0 1 351.378 4.483 20 30 FIEDMN Cn1cnc2cc(CN=Nc3c(F)cc(F)cc3Br)ccc21 ZINC000761266101 1115710824 /nfs/dbraw/zinc/71/08/24/1115710824.db2.gz DMUBTAHNEWNTDS-UHFFFAOYSA-N 0 1 365.181 4.060 20 30 FIEDMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C[C@H](O)CC(C)(C)C#N ZINC000598597941 1115739588 /nfs/dbraw/zinc/73/95/88/1115739588.db2.gz JXWWRQJXZXETAD-APWZRJJASA-N 0 1 354.498 4.055 20 30 FIEDMN Cc1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1C#N ZINC000599284647 1115804544 /nfs/dbraw/zinc/80/45/44/1115804544.db2.gz WWLQXAOQCDTQMP-UHFFFAOYSA-N 0 1 358.445 4.296 20 30 FIEDMN C=CCOc1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1 ZINC000061230539 1115807450 /nfs/dbraw/zinc/80/74/50/1115807450.db2.gz JUGMBQLINIGEMA-FQEVSTJZSA-N 0 1 361.445 4.413 20 30 FIEDMN CC(C)CCN1Cc2cccc(NC(=O)c3ccccc3OCC#N)c2C1 ZINC000171073073 1115831849 /nfs/dbraw/zinc/83/18/49/1115831849.db2.gz FSPGBFJITQOCBL-UHFFFAOYSA-N 0 1 363.461 4.203 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCC2(CC2)CC1 ZINC000599673098 1115834871 /nfs/dbraw/zinc/83/48/71/1115834871.db2.gz MLCMNMYEYIPJER-INIZCTEOSA-N 0 1 357.523 4.143 20 30 FIEDMN CC(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000171146235 1115843353 /nfs/dbraw/zinc/84/33/53/1115843353.db2.gz SXQPPVVXEYYKIU-JTQLQIEISA-N 0 1 365.817 4.020 20 30 FIEDMN CC(C)c1nc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000171146235 1115843355 /nfs/dbraw/zinc/84/33/55/1115843355.db2.gz SXQPPVVXEYYKIU-JTQLQIEISA-N 0 1 365.817 4.020 20 30 FIEDMN CCc1cccc(CC)c1NC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032095 1115964610 /nfs/dbraw/zinc/96/46/10/1115964610.db2.gz DCYZKCWUGWDXNH-UHFFFAOYSA-N 0 1 361.489 4.291 20 30 FIEDMN N#Cc1ccc(CNC2(c3cccc(OC(F)(F)F)c3)CC2)cc1F ZINC000594039066 1115974358 /nfs/dbraw/zinc/97/43/58/1115974358.db2.gz UEZRUEXFPVWEOC-UHFFFAOYSA-N 0 1 350.315 4.375 20 30 FIEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c2cccnc12 ZINC000063287933 1116041234 /nfs/dbraw/zinc/04/12/34/1116041234.db2.gz CGUNCOWDGLOOKF-UHFFFAOYSA-N 0 1 351.381 4.470 20 30 FIEDMN COc1ccccc1[C@@H](CNc1ncc(C#N)cc1Cl)N1CCCCC1 ZINC000608885854 1116135462 /nfs/dbraw/zinc/13/54/62/1116135462.db2.gz CJROTDBGBQQLKN-GOSISDBHSA-N 0 1 370.884 4.254 20 30 FIEDMN N#CCc1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000535440100 1116307188 /nfs/dbraw/zinc/30/71/88/1116307188.db2.gz JCZPHJGBUDVWJM-SFHVURJKSA-N 0 1 364.836 4.260 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c(C#N)c1C ZINC000539422996 1116334733 /nfs/dbraw/zinc/33/47/33/1116334733.db2.gz BDJCHKLQNBLVMW-WQFAYQGZSA-N 0 1 371.868 4.347 20 30 FIEDMN COc1ccc2cc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)c(C)nc2c1 ZINC000539875773 1116394795 /nfs/dbraw/zinc/39/47/95/1116394795.db2.gz XUCNYTGBZISEKC-KRWDZBQOSA-N 0 1 370.412 4.227 20 30 FIEDMN Cc1cn2nc(Nc3ccc(Oc4ccccc4C#N)c(F)c3)sc2n1 ZINC000463063156 1117948119 /nfs/dbraw/zinc/94/81/19/1117948119.db2.gz BDIXUONCYSFNHD-UHFFFAOYSA-N 0 1 365.393 4.068 20 30 FIEDMN CC(C)(C)C[C@@H](NCC(=O)Nc1sccc1C#N)c1ccc(F)cc1 ZINC000540351532 1117997513 /nfs/dbraw/zinc/99/75/13/1117997513.db2.gz JEZBBLJSFXBCFU-MRXNPFEDSA-N 0 1 359.470 4.464 20 30 FIEDMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)c(OCc2ccccc2)c1 ZINC000443330958 1118019885 /nfs/dbraw/zinc/01/98/85/1118019885.db2.gz UVLDTQXNFZGBKS-UHFFFAOYSA-N 0 1 358.397 4.404 20 30 FIEDMN Cc1cccc(Oc2ncccc2NC(=O)c2ccc(C#N)c(O)c2)c1C ZINC000443346385 1118107332 /nfs/dbraw/zinc/10/73/32/1118107332.db2.gz VFHPYYCCNCUWCO-UHFFFAOYSA-N 0 1 359.385 4.320 20 30 FIEDMN COc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1Br ZINC000540708053 1118196813 /nfs/dbraw/zinc/19/68/13/1118196813.db2.gz QATGBGWJXCYYKX-LLVKDONJSA-N 0 1 363.230 4.319 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(OC4CCCC4)nc3)[nH]c21 ZINC000541017548 1118355921 /nfs/dbraw/zinc/35/59/21/1118355921.db2.gz XJXXAEPUZIFHBR-MRXNPFEDSA-N 0 1 360.417 4.078 20 30 FIEDMN C[C@H](NCc1cc(C#N)ccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000090117751 1118425872 /nfs/dbraw/zinc/42/58/72/1118425872.db2.gz BAAMDRPEPJFEAA-LBPRGKRZSA-N 0 1 352.331 4.489 20 30 FIEDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1ccc(CC#N)cc1 ZINC000541280710 1118450203 /nfs/dbraw/zinc/45/02/03/1118450203.db2.gz IFUMAKLRXNPPDE-UHFFFAOYSA-N 0 1 358.489 4.496 20 30 FIEDMN CCC[C@@]1(C)CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000464844689 1118718783 /nfs/dbraw/zinc/71/87/83/1118718783.db2.gz IYZSOHHOQVPFGV-GCJKJVERSA-N 0 1 371.525 4.233 20 30 FIEDMN C=C(C)CN(CC)C(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000542124273 1118798253 /nfs/dbraw/zinc/79/82/53/1118798253.db2.gz XLDVVPDJEBOBDJ-FQEVSTJZSA-N 0 1 371.912 4.033 20 30 FIEDMN CCOc1cc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)ccc1[N+](=O)[O-] ZINC000492419174 1119086740 /nfs/dbraw/zinc/08/67/40/1119086740.db2.gz UWDRJTBYYWYKSJ-HNNXBMFYSA-N 0 1 353.422 4.448 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC(c3ccc(O)cc3)CC2)c1 ZINC000492463679 1119098365 /nfs/dbraw/zinc/09/83/65/1119098365.db2.gz QSNINEJDVSUKSV-UHFFFAOYSA-N 0 1 371.278 4.406 20 30 FIEDMN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cc(C#N)ccc1Br ZINC000492657993 1119152990 /nfs/dbraw/zinc/15/29/90/1119152990.db2.gz TZVHOBRLKABSBR-CYBMUJFWSA-N 0 1 359.267 4.089 20 30 FIEDMN CCSCC[C@@H](C)N(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174882788 1119158978 /nfs/dbraw/zinc/15/89/78/1119158978.db2.gz HBLFOKLDYAOMSG-MRXNPFEDSA-N 0 1 357.523 4.201 20 30 FIEDMN COc1ccc([C@H]2CCN(Cc3cc(C#N)ccc3Br)C2)cc1 ZINC000492752493 1119178936 /nfs/dbraw/zinc/17/89/36/1119178936.db2.gz WMVFINMYQYFQSL-INIZCTEOSA-N 0 1 371.278 4.319 20 30 FIEDMN CC[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(F)ccc1F ZINC000492756380 1119184773 /nfs/dbraw/zinc/18/47/73/1119184773.db2.gz IBVKFHFCTXPKNV-UXHICEINSA-N 0 1 369.415 4.073 20 30 FIEDMN CC(C)c1nc(CNC2(c3cccc(C#N)c3)CCOCC2)c2ccccn21 ZINC000597211185 1119334360 /nfs/dbraw/zinc/33/43/60/1119334360.db2.gz JRCCOWALVJXGPX-UHFFFAOYSA-N 0 1 374.488 4.125 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(OC[C@H]3CCCO3)c2)n1 ZINC000177777371 1119350911 /nfs/dbraw/zinc/35/09/11/1119350911.db2.gz LTLYHFXUAMDENP-IAGOWNOFSA-N 0 1 370.474 4.314 20 30 FIEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1cccc2[nH]ccc21 ZINC000494045730 1119529418 /nfs/dbraw/zinc/52/94/18/1119529418.db2.gz BYLYVRDLWCGRGT-ZDUSSCGKSA-N 0 1 366.852 4.152 20 30 FIEDMN Cc1nn(-c2ccccc2)cc1CNCc1cccc(OCCCC#N)c1 ZINC000183105634 1119565990 /nfs/dbraw/zinc/56/59/90/1119565990.db2.gz ZMEOSCBQPVGWGY-UHFFFAOYSA-N 0 1 360.461 4.153 20 30 FIEDMN CN(Cc1ccc(Br)c(F)c1)Cc1ccc(F)c(C#N)c1 ZINC000494267840 1119816892 /nfs/dbraw/zinc/81/68/92/1119816892.db2.gz JXBNFBSXBRLCDQ-UHFFFAOYSA-N 0 1 351.194 4.231 20 30 FIEDMN N#Cc1ccc(NCC2(N3CCOCC3)CCCCC2)c(C(F)(F)F)c1 ZINC000609213913 1120303234 /nfs/dbraw/zinc/30/32/34/1120303234.db2.gz RVNLFLKMRZBJGN-UHFFFAOYSA-N 0 1 367.415 4.024 20 30 FIEDMN C=CCN(Cc1cc(Cl)cs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000494943075 1120392345 /nfs/dbraw/zinc/39/23/45/1120392345.db2.gz SXXXPPKRIYGONH-CYBMUJFWSA-N 0 1 359.886 4.126 20 30 FIEDMN C[C@@H](C/N=C\c1c(O)ccc2ccccc21)N1CCc2sccc2C1 ZINC000914701300 1120477997 /nfs/dbraw/zinc/47/79/97/1120477997.db2.gz DYMMOHYFYJHMMT-PXNCGERRSA-N 0 1 350.487 4.473 20 30 FIEDMN C[C@@H](C/N=C/c1c(O)ccc2ccccc21)N1CCc2sccc2C1 ZINC000914701299 1120478024 /nfs/dbraw/zinc/47/80/24/1120478024.db2.gz DYMMOHYFYJHMMT-NSMHLIOHSA-N 0 1 350.487 4.473 20 30 FIEDMN CC(=NNC(=S)Nc1ccc(F)cc1)c1[nH]c(-c2ccccc2)nc1C ZINC000915110547 1120809379 /nfs/dbraw/zinc/80/93/79/1120809379.db2.gz YBWXWCJXIIIWLL-UHFFFAOYSA-N 0 1 367.453 4.235 20 30 FIEDMN N#C[C@@H](C(=O)[C@@H]1Cc2ccccc2S1)c1nc2ccccc2n1C(F)F ZINC000915104136 1120813100 /nfs/dbraw/zinc/81/31/00/1120813100.db2.gz LXKNGHNLHILXCJ-LRDDRELGSA-N 0 1 369.396 4.325 20 30 FIEDMN C#CCOc1ccccc1CNCc1cccc(COCc2ccco2)c1 ZINC000915229735 1120888742 /nfs/dbraw/zinc/88/87/42/1120888742.db2.gz OOGUMLZPNBKHAP-UHFFFAOYSA-N 0 1 361.441 4.298 20 30 FIEDMN N#Cc1ccc(OCCCSc2nnc(CCC3CCCC3)[nH]2)cc1 ZINC000915794061 1121060822 /nfs/dbraw/zinc/06/08/22/1121060822.db2.gz JZTDYSQHECVGSX-UHFFFAOYSA-N 0 1 356.495 4.360 20 30 FIEDMN N#Cc1ccc(OCCCSc2nc(CCC3CCCC3)n[nH]2)cc1 ZINC000915794061 1121060832 /nfs/dbraw/zinc/06/08/32/1121060832.db2.gz JZTDYSQHECVGSX-UHFFFAOYSA-N 0 1 356.495 4.360 20 30 FIEDMN CC(=NNc1nc2ccccc2n1C)c1cc(Br)ccc1F ZINC000763168554 1121210751 /nfs/dbraw/zinc/21/07/51/1121210751.db2.gz HNZRYSUJFHMFSS-UHFFFAOYSA-N 0 1 361.218 4.311 20 30 FIEDMN Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000326359018 1121305688 /nfs/dbraw/zinc/30/56/88/1121305688.db2.gz GLEHCECXSUUWCX-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000915917924 1121348443 /nfs/dbraw/zinc/34/84/43/1121348443.db2.gz VFTWIXZVURFWNC-UHFFFAOYSA-N 0 1 359.355 4.349 20 30 FIEDMN Clc1nc(Oc2ccccc2)sc1C=NNc1cncc(Cl)n1 ZINC000915959243 1121353419 /nfs/dbraw/zinc/35/34/19/1121353419.db2.gz LVPKZMNAFXNHEU-UHFFFAOYSA-N 0 1 366.233 4.478 20 30 FIEDMN Cc1cc(C)c(/C=C/C(=O)c2ccc(O)c(CN3CCOCC3)c2)cc1C ZINC000916130094 1121418915 /nfs/dbraw/zinc/41/89/15/1121418915.db2.gz HVKDJEGKMNAZPQ-GQCTYLIASA-N 0 1 365.473 4.046 20 30 FIEDMN COc1cc(C=NNc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1O ZINC000916249833 1121457496 /nfs/dbraw/zinc/45/74/96/1121457496.db2.gz NLGHNNHWPQAQRD-UHFFFAOYSA-N 0 1 356.165 4.062 20 30 FIEDMN O=[N+]([O-])c1ccc(Cl)c(CN=Nc2ncnc3sc4c(c32)CCC4)c1 ZINC000916310447 1121470289 /nfs/dbraw/zinc/47/02/89/1121470289.db2.gz WLZQUZLDOOOEPW-UHFFFAOYSA-N 0 1 373.825 4.188 20 30 FIEDMN C=CCN(Cc1ccc(OCc2nccn2C)cc1)Cc1cccc(C#N)c1 ZINC000063299839 1121676459 /nfs/dbraw/zinc/67/64/59/1121676459.db2.gz IFLPAHNPQBVFES-UHFFFAOYSA-N 0 1 372.472 4.059 20 30 FIEDMN N#C[C@@H](C(=O)c1csc(-c2ccccc2F)n1)c1nc2ccccc2[nH]1 ZINC000064667071 1121789901 /nfs/dbraw/zinc/78/99/01/1121789901.db2.gz BNLICBSSAPJMLD-LBPRGKRZSA-N 0 1 362.389 4.316 20 30 FIEDMN N#CC(C(=O)c1csc(-c2ccccc2F)n1)c1nc2ccccc2[nH]1 ZINC000064667071 1121789908 /nfs/dbraw/zinc/78/99/08/1121789908.db2.gz BNLICBSSAPJMLD-LBPRGKRZSA-N 0 1 362.389 4.316 20 30 FIEDMN C=C(C)CN(C)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000497139561 1121852692 /nfs/dbraw/zinc/85/26/92/1121852692.db2.gz AUJJOGKKLCGKOC-UHFFFAOYSA-N 0 1 361.283 4.431 20 30 FIEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccc(C(C)=O)s1 ZINC000916903708 1121914848 /nfs/dbraw/zinc/91/48/48/1121914848.db2.gz QVORSRRFOPLSKW-OAHLLOKOSA-N 0 1 368.458 4.037 20 30 FIEDMN Cc1ccoc1C(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000916906045 1121929981 /nfs/dbraw/zinc/92/99/81/1121929981.db2.gz BBCDDTZCDHUGLB-INIZCTEOSA-N 0 1 360.369 4.342 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)CCC2CCCCC2)cc1Cl ZINC000916937207 1121936578 /nfs/dbraw/zinc/93/65/78/1121936578.db2.gz AKRRIMRUCRKTAI-HNNXBMFYSA-N 0 1 362.857 4.356 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(C)=O)s2)cc1 ZINC000916956375 1121968257 /nfs/dbraw/zinc/96/82/57/1121968257.db2.gz ZUZKTFONRZXNIT-MLGOLLRUSA-N 0 1 368.458 4.425 20 30 FIEDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1F ZINC000126655453 1121974053 /nfs/dbraw/zinc/97/40/53/1121974053.db2.gz WDIZZNNWYLUMIP-HZPDHXFCSA-N 0 1 371.431 4.259 20 30 FIEDMN Cc1c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)sc2cccc(F)c12 ZINC000065880234 1121997762 /nfs/dbraw/zinc/99/77/62/1121997762.db2.gz YFTXACTVTDDUIP-UHFFFAOYSA-N 0 1 353.382 4.165 20 30 FIEDMN CCN(CC(=O)N[C@H](C)c1ccc(Cl)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497610882 1122311492 /nfs/dbraw/zinc/31/14/92/1122311492.db2.gz MEDKYKVCTWSMJH-HZPDHXFCSA-N 0 1 369.896 4.472 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000107714993 1122317273 /nfs/dbraw/zinc/31/72/73/1122317273.db2.gz VVHUSGRCUQKNQT-UHFFFAOYSA-N 0 1 350.447 4.062 20 30 FIEDMN Cc1nn(-c2ccc(Br)cc2)c(C)c1CN=Nc1ccccn1 ZINC000917536134 1122352505 /nfs/dbraw/zinc/35/25/05/1122352505.db2.gz LEFHTLBIQVEYDB-UHFFFAOYSA-N 0 1 370.254 4.093 20 30 FIEDMN CC(C)c1ccc([C@@H](C)NN=Cc2ccc(N3CCOCC3)s2)cc1 ZINC000917550661 1122358875 /nfs/dbraw/zinc/35/88/75/1122358875.db2.gz CAIGZKJLYGWGME-MRXNPFEDSA-N 0 1 357.523 4.393 20 30 FIEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(Oc2ccccc2)c(F)c1 ZINC000917553615 1122359425 /nfs/dbraw/zinc/35/94/25/1122359425.db2.gz MQZUXPYITGHPEC-UHFFFAOYSA-N 0 1 362.368 4.120 20 30 FIEDMN CCOc1ccc(O)c(/C=N\C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000917556987 1122360616 /nfs/dbraw/zinc/36/06/16/1122360616.db2.gz SSKSTMKPRPCRPN-UCQKPKSFSA-N 0 1 356.441 4.014 20 30 FIEDMN CCCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000917726962 1122419142 /nfs/dbraw/zinc/41/91/42/1122419142.db2.gz RWCRONSEMWMMDR-UHFFFAOYSA-N 0 1 368.380 4.330 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(OC(F)F)c(F)c3)[nH]c21 ZINC000497868361 1122446812 /nfs/dbraw/zinc/44/68/12/1122446812.db2.gz KWRKTKZSIWKVNX-NSHDSACASA-N 0 1 359.307 4.102 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)c1sccc1C#N)c1ccccc1Cl ZINC000497979319 1122497046 /nfs/dbraw/zinc/49/70/46/1122497046.db2.gz DALMCTNEGDPJBQ-INIZCTEOSA-N 0 1 361.898 4.086 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCc3c2cc(F)cc3F)ccc1OC ZINC000154691495 1122610978 /nfs/dbraw/zinc/61/09/78/1122610978.db2.gz LWKRKXITYHCNLZ-HNAYVOBHSA-N 0 1 372.415 4.431 20 30 FIEDMN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(C3CC3)[nH]n2)cc1 ZINC000194669313 1122658527 /nfs/dbraw/zinc/65/85/27/1122658527.db2.gz IWIMJVAQKFTIAO-UHFFFAOYSA-N 0 1 374.419 4.140 20 30 FIEDMN N#Cc1ccccc1C=CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000918653454 1122732026 /nfs/dbraw/zinc/73/20/26/1122732026.db2.gz JDLRWOFGIVEVJP-JXMROGBWSA-N 0 1 354.369 4.346 20 30 FIEDMN CCCCCCCCCN(C)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000918685485 1122743332 /nfs/dbraw/zinc/74/33/32/1122743332.db2.gz CJVCWVUAHNHZQQ-UHFFFAOYSA-N 0 1 359.518 4.250 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000498442712 1122803046 /nfs/dbraw/zinc/80/30/46/1122803046.db2.gz DTZKXIBHWCHDFT-UHFFFAOYSA-N 0 1 362.408 4.140 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)c2cccc(C#N)c2)c1 ZINC000194833662 1122901153 /nfs/dbraw/zinc/90/11/53/1122901153.db2.gz XUGWYJVSQIKAKW-UHFFFAOYSA-N 0 1 369.468 4.467 20 30 FIEDMN CCOc1cccc2cc([C@H](C)NCc3cnc4ccc(C#N)cn34)oc21 ZINC000556596009 1122990750 /nfs/dbraw/zinc/99/07/50/1122990750.db2.gz KSOLKWDICLHJLL-AWEZNQCLSA-N 0 1 360.417 4.202 20 30 FIEDMN CO[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1 ZINC000920142225 1123382552 /nfs/dbraw/zinc/38/25/52/1123382552.db2.gz TVMVSLQWEKPJGJ-PXNSSMCTSA-N 0 1 373.437 4.246 20 30 FIEDMN Cn1cc(C=NNc2nc3ccccc3n2C)c(-c2cc3ccccc3o2)n1 ZINC000920375615 1123449362 /nfs/dbraw/zinc/44/93/62/1123449362.db2.gz WXLKTVGQBYKUPT-UHFFFAOYSA-N 0 1 370.416 4.166 20 30 FIEDMN CC(=NN[C@H](C)c1ccccc1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000920383772 1123449988 /nfs/dbraw/zinc/44/99/88/1123449988.db2.gz YHMMRJSCKBQOSW-QGZVFWFLSA-N 0 1 351.494 4.453 20 30 FIEDMN N#Cc1ccc(Cc2cnc(NC(=O)c3c(O)cccc3Cl)s2)cc1 ZINC000920439577 1123461978 /nfs/dbraw/zinc/46/19/78/1123461978.db2.gz AYTGYKABRYHQPM-UHFFFAOYSA-N 0 1 369.833 4.217 20 30 FIEDMN C[C@@H]1CCCC[C@@H]1CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000920791777 1123520001 /nfs/dbraw/zinc/52/00/01/1123520001.db2.gz GUZWXBBVVPIZFP-BZPMIXESSA-N 0 1 350.821 4.343 20 30 FIEDMN FC(F)(F)COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000921253232 1123596098 /nfs/dbraw/zinc/59/60/98/1123596098.db2.gz LCNRHACGLVCOPM-UHFFFAOYSA-N 0 1 363.261 4.488 20 30 FIEDMN COc1cc(CN=Nc2ccc3ccccc3n2)c(Br)cc1O ZINC000921251169 1123603405 /nfs/dbraw/zinc/60/34/05/1123603405.db2.gz CHHUUMOUGXOEPL-UHFFFAOYSA-N 0 1 372.222 4.158 20 30 FIEDMN N#CC(C(=O)Nc1nc2c(s1)CCCC2)c1nc2cc(F)ccc2s1 ZINC000609627599 1123773465 /nfs/dbraw/zinc/77/34/65/1123773465.db2.gz SDKMHMSTLYZTFT-SNVBAGLBSA-N 0 1 372.450 4.017 20 30 FIEDMN COc1cc(C#N)ccc1OCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000610117039 1123939742 /nfs/dbraw/zinc/93/97/42/1123939742.db2.gz RHHISNWIHDKEOM-UHFFFAOYSA-N 0 1 359.838 4.268 20 30 FIEDMN C=CCc1cc(CN2CCC[C@@H]2c2ccc(COC)o2)cc(OC)c1O ZINC000137083881 1123960988 /nfs/dbraw/zinc/96/09/88/1123960988.db2.gz ZVSCOVUIAIHPJD-GOSISDBHSA-N 0 1 357.450 4.206 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1O ZINC000615504277 1124021701 /nfs/dbraw/zinc/02/17/01/1124021701.db2.gz YBVDPTVVTQFMCU-UHFFFAOYSA-N 0 1 356.250 4.170 20 30 FIEDMN CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000195732884 1124023497 /nfs/dbraw/zinc/02/34/97/1124023497.db2.gz SSFNXOPLBCDIDD-KBXCAEBGSA-N 0 1 369.431 4.143 20 30 FIEDMN N#CCCCOc1cccc(CNCc2ccnc(OC3CCCC3)c2)c1 ZINC000237824793 1124118715 /nfs/dbraw/zinc/11/87/15/1124118715.db2.gz SHGDITSAYGKOAS-UHFFFAOYSA-N 0 1 365.477 4.375 20 30 FIEDMN CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000056478460 1124151353 /nfs/dbraw/zinc/15/13/53/1124151353.db2.gz XJTJNBSDQZCVDK-UHFFFAOYSA-N 0 1 366.808 4.253 20 30 FIEDMN CCN(CC(=O)NC1(C#N)CCCCC1)[C@H](C)c1cc2ccccc2o1 ZINC000138394693 1124184200 /nfs/dbraw/zinc/18/42/00/1124184200.db2.gz ZZKTVSFCLUVNTC-MRXNPFEDSA-N 0 1 353.466 4.158 20 30 FIEDMN Cc1cccc(S(=O)(=O)Nc2ccccc2SCCC#N)c1Cl ZINC000179994944 1124185372 /nfs/dbraw/zinc/18/53/72/1124185372.db2.gz CJHNKHYTZWVNOL-UHFFFAOYSA-N 0 1 366.895 4.455 20 30 FIEDMN N#Cc1cnc2ccccc2c1NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000301347573 1124220427 /nfs/dbraw/zinc/22/04/27/1124220427.db2.gz HROHEJIZFCMBFQ-UHFFFAOYSA-N 0 1 360.436 4.322 20 30 FIEDMN CN(C)Cc1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)cc1F ZINC000301878498 1124267993 /nfs/dbraw/zinc/26/79/93/1124267993.db2.gz LDANUCJESFUSCR-UHFFFAOYSA-N 0 1 351.347 4.390 20 30 FIEDMN CC(C)(C)N1CC[C@@H](Nc2ccc(C#N)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302160361 1124290642 /nfs/dbraw/zinc/29/06/42/1124290642.db2.gz JQGRYDBAEDSJMI-AEFFLSMTSA-N 0 1 373.863 4.167 20 30 FIEDMN CN(C)Cc1ccc(CNc2ccc(C(F)(F)F)c(C#N)c2)cc1F ZINC000302186175 1124292963 /nfs/dbraw/zinc/29/29/63/1124292963.db2.gz HYYGUZVEWGWWOQ-UHFFFAOYSA-N 0 1 351.347 4.390 20 30 FIEDMN CN1CC[C@@H](Nc2ccc3cc(C#N)ccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000302829950 1124357007 /nfs/dbraw/zinc/35/70/07/1124357007.db2.gz PRJMPDLTMFBNAW-TZIWHRDSSA-N 0 1 364.399 4.242 20 30 FIEDMN N#Cc1ccc2ncc(CNCc3ccc(Oc4ccc(F)cc4)cc3)n2c1 ZINC000123201382 1124424552 /nfs/dbraw/zinc/42/45/52/1124424552.db2.gz LJGQDPCGDQUPQC-UHFFFAOYSA-N 0 1 372.403 4.427 20 30 FIEDMN N#Cc1cccc(CN(CCn2ccnc2)Cc2cccc(Cl)c2)c1 ZINC000554884613 1124709785 /nfs/dbraw/zinc/70/97/85/1124709785.db2.gz VLYACYJUDSNMAC-UHFFFAOYSA-N 0 1 350.853 4.111 20 30 FIEDMN COc1ccccc1[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)N(C)C ZINC000111104407 1124841406 /nfs/dbraw/zinc/84/14/06/1124841406.db2.gz JYCMIFFTNNTADO-QGZVFWFLSA-N 0 1 363.383 4.300 20 30 FIEDMN N#Cc1cccc(CSc2nc(-c3ccccc3Br)n[nH]2)c1 ZINC000007251880 1124886325 /nfs/dbraw/zinc/88/63/25/1124886325.db2.gz CBQPVDLTWHVVLG-UHFFFAOYSA-N 0 1 371.263 4.398 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C3CC3)c2)c(Cl)c1 ZINC000499501804 1124933323 /nfs/dbraw/zinc/93/33/23/1124933323.db2.gz BADIJFNQQNZEMT-UHFFFAOYSA-N 0 1 350.802 4.029 20 30 FIEDMN Cc1ccc(C(C)(C)CN(C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075861544 1124934085 /nfs/dbraw/zinc/93/40/85/1124934085.db2.gz UYMHSJZIKLSNBF-UHFFFAOYSA-N 0 1 360.461 4.326 20 30 FIEDMN CC[C@H](C)n1ncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1C1CC1 ZINC000089964394 1124971949 /nfs/dbraw/zinc/97/19/49/1124971949.db2.gz XABPWXQCQAAHQP-DZGCQCFKSA-N 0 1 361.449 4.108 20 30 FIEDMN N#Cc1ccsc1NC(=O)CN[C@H](c1ccccc1F)C1CCCC1 ZINC000181495296 1124976060 /nfs/dbraw/zinc/97/60/60/1124976060.db2.gz SAFPPVYEEAQFHD-SFHVURJKSA-N 0 1 357.454 4.218 20 30 FIEDMN Cc1nn(C(C)(C)C)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000181499481 1124976458 /nfs/dbraw/zinc/97/64/58/1124976458.db2.gz XTAUKCWVWRNEEP-GFCCVEGCSA-N 0 1 371.391 4.181 20 30 FIEDMN Cc1nn(C(C)(C)C)cc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000181499481 1124976461 /nfs/dbraw/zinc/97/64/61/1124976461.db2.gz XTAUKCWVWRNEEP-GFCCVEGCSA-N 0 1 371.391 4.181 20 30 FIEDMN C=CCN1CC[C@H](N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000499519793 1124992149 /nfs/dbraw/zinc/99/21/49/1124992149.db2.gz BPISMXKLTFXSOW-IRXDYDNUSA-N 0 1 352.400 4.019 20 30 FIEDMN N#C[C@@H](C(=O)c1cccc(CN2CCCC2)c1)c1ccc2ccccc2n1 ZINC000672580601 1125189003 /nfs/dbraw/zinc/18/90/03/1125189003.db2.gz RPGKDJULKGTLRM-HXUWFJFHSA-N 0 1 355.441 4.321 20 30 FIEDMN Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618743091 1125260823 /nfs/dbraw/zinc/26/08/23/1125260823.db2.gz WEVMEQSKPFQXBS-OAQYLSRUSA-N 0 1 362.864 4.483 20 30 FIEDMN C=CCN1CC[C@@H](N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)C1=O ZINC000499602110 1125275602 /nfs/dbraw/zinc/27/56/02/1125275602.db2.gz JMVRKXUXHKQGFV-DNVCBOLYSA-N 0 1 354.425 4.056 20 30 FIEDMN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(-n2cncn2)cc1Cl ZINC000618803322 1125284547 /nfs/dbraw/zinc/28/45/47/1125284547.db2.gz HYFUXQIYPOBMAP-ZUOKHONESA-N 0 1 363.852 4.130 20 30 FIEDMN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(-n2cncn2)cc1Cl ZINC000618803318 1125284718 /nfs/dbraw/zinc/28/47/18/1125284718.db2.gz HYFUXQIYPOBMAP-RBZFPXEDSA-N 0 1 363.852 4.130 20 30 FIEDMN CC1(C)CN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1ccccc1 ZINC000619068839 1125441264 /nfs/dbraw/zinc/44/12/64/1125441264.db2.gz YTLBLVYILZMZIK-QFIPXVFZSA-N 0 1 371.488 4.442 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000126234269 209363649 /nfs/dbraw/zinc/36/36/49/209363649.db2.gz UUXZLSBFAHQUCA-HUUCEWRRSA-N 0 1 373.859 4.465 20 30 FIEDMN N#CCCN(C(=O)CN(C1CC1)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000109011786 209296084 /nfs/dbraw/zinc/29/60/84/209296084.db2.gz VDBRAUXGCYWGBR-QFIPXVFZSA-N 0 1 359.473 4.085 20 30 FIEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481517487 568005340 /nfs/dbraw/zinc/00/53/40/568005340.db2.gz PCFQTOPTXHONGT-DLBZAZTESA-N 0 1 365.452 4.294 20 30 FIEDMN COc1cccc([C@@H]2C[C@H](C)CN2Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000568517632 568045770 /nfs/dbraw/zinc/04/57/70/568045770.db2.gz TXVOACXCLICRMC-LIRRHRJNSA-N 0 1 351.406 4.058 20 30 FIEDMN CC(C)Oc1ccc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000051534907 568066321 /nfs/dbraw/zinc/06/63/21/568066321.db2.gz MYUYGXXMAMWESI-MRXNPFEDSA-N 0 1 363.442 4.482 20 30 FIEDMN COC(=O)c1ccc(-c2ccc(CN(C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000481929522 568189589 /nfs/dbraw/zinc/18/95/89/568189589.db2.gz WWPFLNBBQKDDNX-UHFFFAOYSA-N 0 1 360.413 4.237 20 30 FIEDMN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(Br)cn1 ZINC000568824503 568233760 /nfs/dbraw/zinc/23/37/60/568233760.db2.gz WUYHQRDNWNUIEU-XIKOKIGWSA-N 0 1 356.267 4.444 20 30 FIEDMN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(Br)cn1 ZINC000568824502 568233788 /nfs/dbraw/zinc/23/37/88/568233788.db2.gz WUYHQRDNWNUIEU-SGTLLEGYSA-N 0 1 356.267 4.444 20 30 FIEDMN C=CCN1C(=O)c2ccccc2N[C@@]12CC[N@@H+](Cc1ccccc1)[C@H](C)C2 ZINC000604414329 568279235 /nfs/dbraw/zinc/27/92/35/568279235.db2.gz KWMOOEMSCPYWFT-JPYJTQIMSA-N 0 1 361.489 4.121 20 30 FIEDMN COc1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1OCCCC#N ZINC000604512431 568306523 /nfs/dbraw/zinc/30/65/23/568306523.db2.gz MSPFDSRTLIDSGD-YJBOKZPZSA-N 0 1 354.450 4.384 20 30 FIEDMN COC(=O)c1cccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000569897474 568434766 /nfs/dbraw/zinc/43/47/66/568434766.db2.gz YFSSZXIYJAJDQX-MRXNPFEDSA-N 0 1 371.440 4.258 20 30 FIEDMN N#CCCn1cc(CN2CCS[C@@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 ZINC000093689929 1125493163 /nfs/dbraw/zinc/49/31/63/1125493163.db2.gz DBONWEVCINNUPC-VQTJNVASSA-N 0 1 366.534 4.324 20 30 FIEDMN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000619320098 1125561595 /nfs/dbraw/zinc/56/15/95/1125561595.db2.gz KCENLTTVELMZJW-KRWDZBQOSA-N 0 1 373.888 4.008 20 30 FIEDMN N#Cc1ccc(OC2CCC(Nc3cc[nH+]c4c([O-])cccc34)CC2)nc1 ZINC000619487677 1125600145 /nfs/dbraw/zinc/60/01/45/1125600145.db2.gz CSKYIFZCGXFUFY-UHFFFAOYSA-N 0 1 360.417 4.009 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccncc1OCC(F)(F)F ZINC000619611755 1125628167 /nfs/dbraw/zinc/62/81/67/1125628167.db2.gz LWMUYABDNSDUHE-KRWDZBQOSA-N 0 1 361.367 4.062 20 30 FIEDMN Cc1cc(C(F)(F)F)ccc1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000619726189 1125670601 /nfs/dbraw/zinc/67/06/01/1125670601.db2.gz SNORXOZLVQHQIU-UHFFFAOYSA-N 0 1 359.395 4.466 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000619724913 1125670638 /nfs/dbraw/zinc/67/06/38/1125670638.db2.gz WFMKVWJLTGMXDH-PKTZIBPZSA-N 0 1 369.468 4.128 20 30 FIEDMN COc1cccc([C@@H]2[C@@H](Nc3ncc(C#N)cc3Cl)CCN2C2CC2)c1 ZINC000182980918 1125709216 /nfs/dbraw/zinc/70/92/16/1125709216.db2.gz GJDGUJRFFUVJPS-RBUKOAKNSA-N 0 1 368.868 4.005 20 30 FIEDMN CCn1c2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)ccc2[nH]c1=O ZINC000654991934 1079821830 /nfs/dbraw/zinc/82/18/30/1079821830.db2.gz QJEHCHGEGSEMPT-GFCCVEGCSA-N 0 1 368.462 4.006 20 30 FIEDMN O=C(Cc1n[nH]c2ccccc21)Nc1cccc(C#Cc2cccs2)c1 ZINC000065095606 1079933445 /nfs/dbraw/zinc/93/34/45/1079933445.db2.gz PIGNKXTXNYAXTH-UHFFFAOYSA-N 0 1 357.438 4.205 20 30 FIEDMN Cc1ccc([C@H]2CCCCN2CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000610215227 1079981208 /nfs/dbraw/zinc/98/12/08/1079981208.db2.gz BZUJNRWCEQVFMT-HXUWFJFHSA-N 0 1 353.510 4.207 20 30 FIEDMN O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccc(Br)cc1F ZINC000254943946 1080074102 /nfs/dbraw/zinc/07/41/02/1080074102.db2.gz FEFARNBEDGUGFG-RJRFIUFISA-N 0 1 357.125 4.468 20 30 FIEDMN C=CCCO[C@H](C)C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000109251890 1080234758 /nfs/dbraw/zinc/23/47/58/1080234758.db2.gz BRSQLCAFOKXQOA-GFCCVEGCSA-N 0 1 371.387 4.428 20 30 FIEDMN Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000510195011 1080760732 /nfs/dbraw/zinc/76/07/32/1080760732.db2.gz UDZLPJCKGMUFNI-GOSISDBHSA-N 0 1 364.836 4.374 20 30 FIEDMN C=CCOc1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)cc1OC ZINC000510219938 1080794270 /nfs/dbraw/zinc/79/42/70/1080794270.db2.gz BBWPMYHJZMZNBR-UHFFFAOYSA-N 0 1 370.468 4.476 20 30 FIEDMN CCOC(=O)C1(C(F)(F)F)CCN(CCC2(C#N)CCCCC2)CC1 ZINC000932650814 1080972312 /nfs/dbraw/zinc/97/23/12/1080972312.db2.gz QXFAETAPYZKSMG-UHFFFAOYSA-N 0 1 360.420 4.058 20 30 FIEDMN Cc1ccc(C(=O)Nc2cccc(CNCc3ccc(C#N)s3)c2)cc1 ZINC000176951561 1081171025 /nfs/dbraw/zinc/17/10/25/1081171025.db2.gz KARRRGJWOUACLR-UHFFFAOYSA-N 0 1 361.470 4.470 20 30 FIEDMN CCN(C(=O)CCc1nc2cccc(C)c2[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000175778209 1081185064 /nfs/dbraw/zinc/18/50/64/1081185064.db2.gz RGHVUUGWQDLUOS-MRXNPFEDSA-N 0 1 360.461 4.285 20 30 FIEDMN COc1cccc(Oc2ccc(CNCc3csc(C#N)c3)cn2)c1 ZINC001648828742 1081265682 /nfs/dbraw/zinc/26/56/82/1081265682.db2.gz SYPVZCOKZPAFQD-UHFFFAOYSA-N 0 1 351.431 4.105 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000610345894 1081502026 /nfs/dbraw/zinc/50/20/26/1081502026.db2.gz BSGRZQMGCZYVNJ-OLZOCXBDSA-N 0 1 361.367 4.255 20 30 FIEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000610346634 1081506079 /nfs/dbraw/zinc/50/60/79/1081506079.db2.gz ZMGTVWKQCMPSRX-STQMWFEESA-N 0 1 361.367 4.255 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2cccnc2)s1)c1ccc(C(F)(F)F)cn1 ZINC000535642172 1081959579 /nfs/dbraw/zinc/95/95/79/1081959579.db2.gz WVNNSZHQRUJJIB-GFCCVEGCSA-N 0 1 374.347 4.109 20 30 FIEDMN N#C[C@@H](C(=O)c1cnc(-c2cccnc2)s1)c1ccc(C(F)(F)F)cn1 ZINC000535642172 1081959583 /nfs/dbraw/zinc/95/95/83/1081959583.db2.gz WVNNSZHQRUJJIB-GFCCVEGCSA-N 0 1 374.347 4.109 20 30 FIEDMN N#Cc1csc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)c1 ZINC000126147912 1082277158 /nfs/dbraw/zinc/27/71/58/1082277158.db2.gz WCOIJRYIXVHLJM-UHFFFAOYSA-N 0 1 368.506 4.046 20 30 FIEDMN N#CCCC1CCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000581370674 1082499686 /nfs/dbraw/zinc/49/96/86/1082499686.db2.gz UXVUKBJWBZJISO-LJQANCHMSA-N 0 1 362.901 4.414 20 30 FIEDMN N#Cc1ccc(NC(=O)CCN2CC[C@@H]2c2cccc(F)c2)cc1Cl ZINC000610505472 1082549232 /nfs/dbraw/zinc/54/92/32/1082549232.db2.gz MBUUOYBOSCINQK-GOSISDBHSA-N 0 1 357.816 4.126 20 30 FIEDMN CCC(=O)Nc1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430602997 1082573542 /nfs/dbraw/zinc/57/35/42/1082573542.db2.gz XJQBORPATGRYKI-CQSZACIVSA-N 0 1 355.463 4.279 20 30 FIEDMN CCC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430602997 1082573547 /nfs/dbraw/zinc/57/35/47/1082573547.db2.gz XJQBORPATGRYKI-CQSZACIVSA-N 0 1 355.463 4.279 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cnn(CC(C)C)c2-c2ccccc2)n1 ZINC000581643977 1082738576 /nfs/dbraw/zinc/73/85/76/1082738576.db2.gz XSSCDCSJHMXWFZ-INIZCTEOSA-N 0 1 364.474 4.461 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000430626895 1082748659 /nfs/dbraw/zinc/74/86/59/1082748659.db2.gz MOXZJKUPEBYPGW-LBPRGKRZSA-N 0 1 363.826 4.492 20 30 FIEDMN CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000430626895 1082748660 /nfs/dbraw/zinc/74/86/60/1082748660.db2.gz MOXZJKUPEBYPGW-LBPRGKRZSA-N 0 1 363.826 4.492 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](c1ccccn1)C1CCC1 ZINC000625785703 1082789579 /nfs/dbraw/zinc/78/95/79/1082789579.db2.gz RANYEVNHJOYLLT-UZLBHIALSA-N 0 1 369.534 4.177 20 30 FIEDMN Cc1ccnc2c1cccc2S(=O)(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000548282868 1082958056 /nfs/dbraw/zinc/95/80/56/1082958056.db2.gz MSOFGOOCVMHIHB-UHFFFAOYSA-N 0 1 365.458 4.145 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H](CC#N)c3ccccc3)[nH]c2c1 ZINC001125541816 1082997441 /nfs/dbraw/zinc/99/74/41/1082997441.db2.gz UBJPKVZQFLVTHE-XLIONFOSSA-N 0 1 358.445 4.232 20 30 FIEDMN CN(C)[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)c1cccs1 ZINC000430936056 1083242523 /nfs/dbraw/zinc/24/25/23/1083242523.db2.gz WQKLEBCJPFIWAL-QZTJIDSGSA-N 0 1 370.522 4.085 20 30 FIEDMN N#C[C@H](C(=O)c1cc(F)cc(Br)c1)c1nc(C2CC2)cs1 ZINC000647375810 1083366191 /nfs/dbraw/zinc/36/61/91/1083366191.db2.gz GCARVXWSGBEQNH-GFCCVEGCSA-N 0 1 365.227 4.412 20 30 FIEDMN N#CC(C(=O)c1cc(F)cc(Br)c1)c1nc(C2CC2)cs1 ZINC000647375810 1083366200 /nfs/dbraw/zinc/36/62/00/1083366200.db2.gz GCARVXWSGBEQNH-GFCCVEGCSA-N 0 1 365.227 4.412 20 30 FIEDMN COCCn1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c2ccccc21 ZINC000647377516 1083373759 /nfs/dbraw/zinc/37/37/59/1083373759.db2.gz QSPUCXXJJXEKMT-OAHLLOKOSA-N 0 1 365.458 4.112 20 30 FIEDMN N#CC(C(=O)c1ccc(OC(F)F)c(F)c1)c1nc(C2CC2)cs1 ZINC000647379988 1083376871 /nfs/dbraw/zinc/37/68/71/1083376871.db2.gz AYLXUGYMJSHDQU-JTQLQIEISA-N 0 1 352.337 4.251 20 30 FIEDMN CON=Cc1ccc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000255731801 1083455171 /nfs/dbraw/zinc/45/51/71/1083455171.db2.gz CZKRIPHOKMTFLR-AWEZNQCLSA-N 0 1 369.833 4.420 20 30 FIEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000065808229 1083537247 /nfs/dbraw/zinc/53/72/47/1083537247.db2.gz ABOOHZMCSJBZQQ-UHFFFAOYSA-N 0 1 365.408 4.053 20 30 FIEDMN CCOc1ccccc1[C@H](CC)N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000179751948 1083614307 /nfs/dbraw/zinc/61/43/07/1083614307.db2.gz KEXZRKRRWNFVQE-KDOFPFPSSA-N 0 1 369.465 4.235 20 30 FIEDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(SCC#N)c3)c2C)o1 ZINC000161478616 1083682585 /nfs/dbraw/zinc/68/25/85/1083682585.db2.gz IOLSSBPRJAVBDR-UHFFFAOYSA-N 0 1 352.419 4.155 20 30 FIEDMN O[C@@H](c1ccc(F)cc1)C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177152806 1083683759 /nfs/dbraw/zinc/68/37/59/1083683759.db2.gz OCUGGJBKLQWKDF-NRFANRHFSA-N 0 1 357.856 4.276 20 30 FIEDMN COc1ccc(C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C2CC2)cc1 ZINC000179889707 1083828668 /nfs/dbraw/zinc/82/86/68/1083828668.db2.gz NTJMNJAZBIJJNP-UHFFFAOYSA-N 0 1 372.472 4.132 20 30 FIEDMN COCCOc1cccc(CN=Nc2ccc(Br)cc2F)c1 ZINC000728432718 1084088576 /nfs/dbraw/zinc/08/85/76/1084088576.db2.gz XUUFHBLJHPLBEC-UHFFFAOYSA-N 0 1 367.218 4.059 20 30 FIEDMN COc1ccc(CNCc2ccc(OC)c(C#N)c2)c(OC2CCCC2)c1 ZINC000177716972 1084251661 /nfs/dbraw/zinc/25/16/61/1084251661.db2.gz KARNGXWJFCHWGE-UHFFFAOYSA-N 0 1 366.461 4.187 20 30 FIEDMN N#CC(C(=O)c1cnc(CC2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000892539581 1084633318 /nfs/dbraw/zinc/63/33/18/1084633318.db2.gz ZXUUNOVMEWAPKM-LLVKDONJSA-N 0 1 372.400 4.330 20 30 FIEDMN N#C[C@H](C(=O)c1cnc(CC2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000892539581 1084633322 /nfs/dbraw/zinc/63/33/22/1084633322.db2.gz ZXUUNOVMEWAPKM-LLVKDONJSA-N 0 1 372.400 4.330 20 30 FIEDMN C[C@H](Oc1ccccc1)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544941 1084638403 /nfs/dbraw/zinc/63/84/03/1084638403.db2.gz LFZWNLWKCPBFKC-KSSFIOAISA-N 0 1 373.437 4.326 20 30 FIEDMN Cc1cccc(OCC(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544896 1084639054 /nfs/dbraw/zinc/63/90/54/1084639054.db2.gz RHVVMYUITVOWQI-SFHVURJKSA-N 0 1 373.437 4.245 20 30 FIEDMN CCN(Cc1ccc(OC)c(OC)c1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000119857010 1084662728 /nfs/dbraw/zinc/66/27/28/1084662728.db2.gz XKDFYCKLXJCRAX-OAHLLOKOSA-N 0 1 354.450 4.167 20 30 FIEDMN N#Cc1ccc2ncc(CNC3(c4ccc(F)cc4F)CCCCC3)n2c1 ZINC000551553338 1084678072 /nfs/dbraw/zinc/67/80/72/1084678072.db2.gz ZFLHELKCXNMDSR-UHFFFAOYSA-N 0 1 366.415 4.433 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000108529480 1084726836 /nfs/dbraw/zinc/72/68/36/1084726836.db2.gz WOCIDMSUKWVPHP-MRXNPFEDSA-N 0 1 372.538 4.030 20 30 FIEDMN CCSCC[C@@H](C)N(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000464857454 1084988352 /nfs/dbraw/zinc/98/83/52/1084988352.db2.gz TXEIIWIBTZSMAB-GOSISDBHSA-N 0 1 361.555 4.014 20 30 FIEDMN COc1ccc(C[C@@H](NCc2ccc(C#N)cn2)c2ccc(OC)cc2)cc1 ZINC000562047241 1085005017 /nfs/dbraw/zinc/00/50/17/1085005017.db2.gz IUUPHTGDZVGSSC-HSZRJFAPSA-N 0 1 373.456 4.044 20 30 FIEDMN CC(C)n1cc(C#N)c(=NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)[nH]1 ZINC000468838779 1085128102 /nfs/dbraw/zinc/12/81/02/1085128102.db2.gz FHQIMXIZWYROOH-HNNXBMFYSA-N 0 1 370.522 4.222 20 30 FIEDMN C#Cc1ccc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cn1 ZINC000728818537 1085493761 /nfs/dbraw/zinc/49/37/61/1085493761.db2.gz SSFDRVACRHHZRI-UHFFFAOYSA-N 0 1 374.350 4.137 20 30 FIEDMN COc1ccc2nc(C([O-])=C(C#N)c3ccc4ccccc4n3)ccc2c1 ZINC000093243611 1085496275 /nfs/dbraw/zinc/49/62/75/1085496275.db2.gz QOUABSOIGJKESL-QGZVFWFLSA-N 0 1 353.381 4.282 20 30 FIEDMN COC1CCC(CC(=O)C(C#N)C(=O)Nc2cccc3ccccc32)CC1 ZINC000136619218 1085648014 /nfs/dbraw/zinc/64/80/14/1085648014.db2.gz ZYEVQHRQCZRTKN-KVWWFHCMSA-N 0 1 364.445 4.082 20 30 FIEDMN CC(C)(CO)[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000582812468 1085755332 /nfs/dbraw/zinc/75/53/32/1085755332.db2.gz HPMIUBABCQHUSM-QGZVFWFLSA-N 0 1 367.436 4.468 20 30 FIEDMN C=CCN(Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)C(C)(C)C ZINC000661755892 1085798811 /nfs/dbraw/zinc/79/88/11/1085798811.db2.gz TXODSNCRAWQZBB-UHFFFAOYSA-N 0 1 352.438 4.487 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2CCC(OC)CC2)cc1 ZINC000136679089 1085916665 /nfs/dbraw/zinc/91/66/65/1085916665.db2.gz SNVMLWJEJQASBW-MUAOVLSHSA-N 0 1 370.493 4.443 20 30 FIEDMN N#Cc1cc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)ccc1F ZINC000468283854 1086204808 /nfs/dbraw/zinc/20/48/08/1086204808.db2.gz AXURCVSIJZCITH-UHFFFAOYSA-N 0 1 357.860 4.059 20 30 FIEDMN CC[C@@](C)(OC)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000796648412 1086446781 /nfs/dbraw/zinc/44/67/81/1086446781.db2.gz BGOAWGQBQFOGJX-MEBBXXQBSA-N 0 1 356.369 4.306 20 30 FIEDMN C[C@@H](NC(=O)CN1CCC(CCC#N)CC1)c1ccc(Cl)cc1Cl ZINC000583438686 1086683716 /nfs/dbraw/zinc/68/37/16/1086683716.db2.gz YUAMZVMNFHSBRO-CYBMUJFWSA-N 0 1 368.308 4.186 20 30 FIEDMN C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000562205622 1087032879 /nfs/dbraw/zinc/03/28/79/1087032879.db2.gz KSWAODFAHSANNR-UHFFFAOYSA-N 0 1 356.388 4.131 20 30 FIEDMN Cc1cc(C)c(NC(=O)CNC(=O)CN2CCC[C@@H](C3CC3)C2)c(C)c1 ZINC000329616567 1087104326 /nfs/dbraw/zinc/10/43/26/1087104326.db2.gz DMKVGWUODOPBHI-GOSISDBHSA-N 0 1 357.498 4.278 20 30 FIEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CCCc1ccccc1 ZINC000052802876 1087169396 /nfs/dbraw/zinc/16/93/96/1087169396.db2.gz BLSORXKLPPENIK-HNNXBMFYSA-N 0 1 367.518 4.000 20 30 FIEDMN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1cnc[nH]1 ZINC000329694720 1087201086 /nfs/dbraw/zinc/20/10/86/1087201086.db2.gz BBZGQGCTTXGCHI-SOZFHFLDSA-N 0 1 358.486 4.064 20 30 FIEDMN CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000511278750 1087546942 /nfs/dbraw/zinc/54/69/42/1087546942.db2.gz ZJDFWDSRPLFWPG-UHFFFAOYSA-N 0 1 370.474 4.025 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N2CC[C@H](Cc3ccccc3)[C@H]2C)c(C#N)c1C ZINC000472347480 1087662465 /nfs/dbraw/zinc/66/24/65/1087662465.db2.gz YRYYVTKCNVHZHU-JTDSTZFVSA-N 0 1 365.477 4.048 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N2CC[C@H](Cc3ccccc3)[C@@H]2C)c(C#N)c1C ZINC000472347482 1087662632 /nfs/dbraw/zinc/66/26/32/1087662632.db2.gz YRYYVTKCNVHZHU-TXPKVOOTSA-N 0 1 365.477 4.048 20 30 FIEDMN N#Cc1ccc(CN2CCC(N=Nc3nccc4sccc43)CC2)cc1 ZINC000146802442 1087700650 /nfs/dbraw/zinc/70/06/50/1087700650.db2.gz TWYLJJUYSQVFCX-UHFFFAOYSA-N 0 1 361.474 4.232 20 30 FIEDMN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000181268727 1088293115 /nfs/dbraw/zinc/29/31/15/1088293115.db2.gz WHHVQIKWSVOGOH-VSZDKKFSSA-N 0 1 366.833 4.143 20 30 FIEDMN C[C@H](c1ccc(C(C)(C)C)cc1)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513976606 1088575214 /nfs/dbraw/zinc/57/52/14/1088575214.db2.gz ZUBSUPZGPKOLCJ-MTJJIEKYSA-N 0 1 373.500 4.391 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)[nH]c21 ZINC000505438415 1088796268 /nfs/dbraw/zinc/79/62/68/1088796268.db2.gz PEDHSHGYMPQNLL-LLVKDONJSA-N 0 1 359.216 4.424 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)n1 ZINC000434618632 1088867573 /nfs/dbraw/zinc/86/75/73/1088867573.db2.gz XXPZGQHBBXRNPV-CYBMUJFWSA-N 0 1 371.368 4.407 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)n1 ZINC000434618632 1088867594 /nfs/dbraw/zinc/86/75/94/1088867594.db2.gz XXPZGQHBBXRNPV-CYBMUJFWSA-N 0 1 371.368 4.407 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)n1 ZINC000434618633 1088868318 /nfs/dbraw/zinc/86/83/18/1088868318.db2.gz XXPZGQHBBXRNPV-ZDUSSCGKSA-N 0 1 371.368 4.407 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)n1 ZINC000434618633 1088868336 /nfs/dbraw/zinc/86/83/36/1088868336.db2.gz XXPZGQHBBXRNPV-ZDUSSCGKSA-N 0 1 371.368 4.407 20 30 FIEDMN N#Cc1ccc([C@H](O)CN[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000133775725 1089075874 /nfs/dbraw/zinc/07/58/74/1089075874.db2.gz UTZNKFWXIMPIQH-RTWAWAEBSA-N 0 1 363.848 4.019 20 30 FIEDMN COc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1OCCCC#N ZINC000151974455 1089094853 /nfs/dbraw/zinc/09/48/53/1089094853.db2.gz DRTDHOUKKIPREH-UHFFFAOYSA-N 0 1 364.449 4.185 20 30 FIEDMN C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000434902733 1089123119 /nfs/dbraw/zinc/12/31/19/1089123119.db2.gz JGUBJFYEDHQNEE-RDTXWAMCSA-N 0 1 353.853 4.028 20 30 FIEDMN C=CCN(Cc1cccs1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000514715221 1089407569 /nfs/dbraw/zinc/40/75/69/1089407569.db2.gz WBBWBPVJZINLQT-IBGZPJMESA-N 0 1 353.487 4.329 20 30 FIEDMN C=CCCCCNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472772307 1089410568 /nfs/dbraw/zinc/41/05/68/1089410568.db2.gz UOAUXKGZLMWNEY-MAUKXSAKSA-N 0 1 367.896 4.127 20 30 FIEDMN N#C[C@H](C(=O)C[C@H]1CCC2(CCC2)CO1)c1cc(C(F)(F)F)ccn1 ZINC000893063819 1089776561 /nfs/dbraw/zinc/77/65/61/1089776561.db2.gz YCSGWKSAODQQBB-KGLIPLIRSA-N 0 1 352.356 4.016 20 30 FIEDMN CSc1ccc([C@@H](CNc2cc(C(C)=O)ccc2C#N)N(C)C)cc1 ZINC000515155004 1089832103 /nfs/dbraw/zinc/83/21/03/1089832103.db2.gz BTGHIYGIWXGKDP-HXUWFJFHSA-N 0 1 353.491 4.198 20 30 FIEDMN C[C@@H](C#N)CN(C(=O)c1cccc2[nH]c(-c3cccs3)nc21)C1CC1 ZINC000545424152 1089955633 /nfs/dbraw/zinc/95/56/33/1089955633.db2.gz VRBNHHNWZWUFHE-LBPRGKRZSA-N 0 1 350.447 4.056 20 30 FIEDMN C[C@@H]1CCCc2[nH+]cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)n21 ZINC000651266059 1090082560 /nfs/dbraw/zinc/08/25/60/1090082560.db2.gz AWTLECWFCOTYFA-NEPJUHHUSA-N 0 1 369.375 4.015 20 30 FIEDMN C[C@@H]1CCCc2[nH+]cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)n21 ZINC000651266062 1090082825 /nfs/dbraw/zinc/08/28/25/1090082825.db2.gz AWTLECWFCOTYFA-VXGBXAGGSA-N 0 1 369.375 4.015 20 30 FIEDMN N#Cc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)c(Br)c1 ZINC000378480858 1090383454 /nfs/dbraw/zinc/38/34/54/1090383454.db2.gz HGOKHMBAZRWNLZ-MJGOQNOKSA-N 0 1 371.278 4.188 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CNCc2ccc(F)c(Cl)c2)ccc1OC ZINC000162395416 1090850117 /nfs/dbraw/zinc/85/01/17/1090850117.db2.gz PFRKWAQMXDTMJR-OAHLLOKOSA-N 0 1 362.832 4.458 20 30 FIEDMN COC(=O)c1ccc(Cl)c(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000418145409 1091082222 /nfs/dbraw/zinc/08/22/22/1091082222.db2.gz MWXZWSNTEAUVJI-LJQANCHMSA-N 0 1 354.837 4.165 20 30 FIEDMN C=CCOc1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000511737510 1091578954 /nfs/dbraw/zinc/57/89/54/1091578954.db2.gz LOOFLQJBUMXJQW-UHFFFAOYSA-N 0 1 358.246 4.359 20 30 FIEDMN CC1CCN([C@@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)c2cccs2)CC1 ZINC000521186520 1092564629 /nfs/dbraw/zinc/56/46/29/1092564629.db2.gz GQXXDXYCZZNHPA-UWJYYQICSA-N 0 1 371.550 4.111 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)cc1O ZINC000442965325 1092893034 /nfs/dbraw/zinc/89/30/34/1092893034.db2.gz IKXPVFNERCLPGS-UHFFFAOYSA-N 0 1 373.343 4.463 20 30 FIEDMN C=CCC[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000187449236 1092895890 /nfs/dbraw/zinc/89/58/90/1092895890.db2.gz NLLOQNZGEDJTMG-RTBURBONSA-N 0 1 364.493 4.138 20 30 FIEDMN C[C@@H](NCc1ccc(OCC(F)(F)F)cc1)c1ccc(C#N)cc1F ZINC000512618563 1093002501 /nfs/dbraw/zinc/00/25/01/1093002501.db2.gz IYKMLBMWEVUVMN-GFCCVEGCSA-N 0 1 352.331 4.489 20 30 FIEDMN CC(C)(C#N)c1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000614175508 1093064930 /nfs/dbraw/zinc/06/49/30/1093064930.db2.gz QTZJRHRPZDQBJF-UHFFFAOYSA-N 0 1 370.500 4.358 20 30 FIEDMN C=CC1CCN(CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)CC1 ZINC000522080579 1093074715 /nfs/dbraw/zinc/07/47/15/1093074715.db2.gz QQPVVOGRUZGALI-OAQYLSRUSA-N 0 1 354.519 4.160 20 30 FIEDMN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)c3ccc(C#N)cc3F)ccc2NC1=O ZINC000512660672 1093098604 /nfs/dbraw/zinc/09/86/04/1093098604.db2.gz OIYDQQIYHKBMFM-VPZZIHKRSA-N 0 1 367.424 4.219 20 30 FIEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000458830702 1093212493 /nfs/dbraw/zinc/21/24/93/1093212493.db2.gz GJVQKOOKDGTHCK-ZMSDIMECSA-N 0 1 368.485 4.114 20 30 FIEDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000550518691 1093272540 /nfs/dbraw/zinc/27/25/40/1093272540.db2.gz JEHFKYJIVZHWRS-UHFFFAOYSA-N 0 1 362.408 4.393 20 30 FIEDMN N#Cc1ccc(OC2CCN(CCc3ccc(F)c(F)c3)CC2)c(F)c1 ZINC000512818618 1093401043 /nfs/dbraw/zinc/40/10/43/1093401043.db2.gz WHIGYEGBDCSCKB-UHFFFAOYSA-N 0 1 360.379 4.061 20 30 FIEDMN N#CC[C@H](CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000474195253 1093569040 /nfs/dbraw/zinc/56/90/40/1093569040.db2.gz GUBUMMBTWYPUCJ-UXHICEINSA-N 0 1 365.477 4.010 20 30 FIEDMN CC(C)(C#N)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000474196926 1093570119 /nfs/dbraw/zinc/57/01/19/1093570119.db2.gz KBTCLCJBGSYBCJ-IBGZPJMESA-N 0 1 365.477 4.038 20 30 FIEDMN C=CCCC1(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)CC1 ZINC000474199857 1093577092 /nfs/dbraw/zinc/57/70/92/1093577092.db2.gz RXRAYJQNZFPLCT-HXUWFJFHSA-N 0 1 356.510 4.085 20 30 FIEDMN Cc1cc(C#N)ccc1CN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000614397645 1093814354 /nfs/dbraw/zinc/81/43/54/1093814354.db2.gz LKJHARCRBVOTLJ-RTBURBONSA-N 0 1 361.272 4.264 20 30 FIEDMN N#CC(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1 ZINC000513198014 1094000302 /nfs/dbraw/zinc/00/03/02/1094000302.db2.gz XQGGEJAFODLIDE-SNVBAGLBSA-N 0 1 359.229 4.004 20 30 FIEDMN COc1ccccc1-c1ncc(CN(Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000430002673 1094025619 /nfs/dbraw/zinc/02/56/19/1094025619.db2.gz BLUOFWKDKLKVTF-UHFFFAOYSA-N 0 1 372.472 4.434 20 30 FIEDMN Cc1c(C#N)cccc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000513327171 1094061075 /nfs/dbraw/zinc/06/10/75/1094061075.db2.gz CKIZELMXWADPPL-QFIPXVFZSA-N 0 1 366.424 4.262 20 30 FIEDMN CCN(CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000054339898 1094424327 /nfs/dbraw/zinc/42/43/27/1094424327.db2.gz QIYJNFWXGNESLD-SFHVURJKSA-N 0 1 365.477 4.025 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)n1 ZINC000041515832 1094638607 /nfs/dbraw/zinc/63/86/07/1094638607.db2.gz FZDQUDGJDQKREK-HNNXBMFYSA-N 0 1 368.437 4.390 20 30 FIEDMN COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1OC(C)C ZINC000041546060 1094649692 /nfs/dbraw/zinc/64/96/92/1094649692.db2.gz KYPUUJMCSOIXDF-AWEZNQCLSA-N 0 1 350.374 4.114 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc3ccccc3o2)ccc1OC(C)C ZINC000041546060 1094649702 /nfs/dbraw/zinc/64/97/02/1094649702.db2.gz KYPUUJMCSOIXDF-AWEZNQCLSA-N 0 1 350.374 4.114 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc(C)n1 ZINC000501379106 1094671159 /nfs/dbraw/zinc/67/11/59/1094671159.db2.gz ZVZSIIBVKFSSBX-MRXNPFEDSA-N 0 1 363.442 4.321 20 30 FIEDMN CSc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000501521486 1094753056 /nfs/dbraw/zinc/75/30/56/1094753056.db2.gz YLYFKBQLDKZZAZ-OLZOCXBDSA-N 0 1 357.479 4.168 20 30 FIEDMN CSc1ccccc1[C@@H](C)N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000501521484 1094753135 /nfs/dbraw/zinc/75/31/35/1094753135.db2.gz YLYFKBQLDKZZAZ-CHWSQXEVSA-N 0 1 357.479 4.168 20 30 FIEDMN CCc1ccccc1NC(=O)CNC(=O)CN1CC[C@H](C)C2(CCC2)C1 ZINC000329152645 1094758214 /nfs/dbraw/zinc/75/82/14/1094758214.db2.gz TWEXNLOZFHABCD-INIZCTEOSA-N 0 1 357.498 4.306 20 30 FIEDMN N#Cc1ccc(OC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000513717181 1094773525 /nfs/dbraw/zinc/77/35/25/1094773525.db2.gz MHAKXSIAZLQMSP-HWKANZROSA-N 0 1 363.417 4.023 20 30 FIEDMN CCc1cc(=O)c2cc(NC(=O)[C@H]3CCCN3C3CCCC3)ccc2[nH]1 ZINC000329272633 1094811284 /nfs/dbraw/zinc/81/12/84/1094811284.db2.gz AHKPZUNYJQAUJA-LJQANCHMSA-N 0 1 353.466 4.086 20 30 FIEDMN O=C(NC1CCC(c2ccc(F)cc2)CC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000329311044 1094836669 /nfs/dbraw/zinc/83/66/69/1094836669.db2.gz RBARTGAAXSWAGW-IUPXNIOVSA-N 0 1 356.445 4.156 20 30 FIEDMN O=C(CN1CCC(n2ccc(C(F)(F)F)n2)CC1)NC1CCCCCC1 ZINC000329313951 1094837854 /nfs/dbraw/zinc/83/78/54/1094837854.db2.gz AVYJGHKAMQQWRN-UHFFFAOYSA-N 0 1 372.435 4.218 20 30 FIEDMN Cc1noc(C)c1CN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329323403 1094839941 /nfs/dbraw/zinc/83/99/41/1094839941.db2.gz FTRPULJOYXVHST-MRXNPFEDSA-N 0 1 371.485 4.172 20 30 FIEDMN Cc1noc(C)c1CN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329323399 1094841444 /nfs/dbraw/zinc/84/14/44/1094841444.db2.gz FTRPULJOYXVHST-INIZCTEOSA-N 0 1 371.485 4.172 20 30 FIEDMN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000329378173 1094872616 /nfs/dbraw/zinc/87/26/16/1094872616.db2.gz OVYSHLBMZRFHIQ-RHSMWYFYSA-N 0 1 373.472 4.010 20 30 FIEDMN O=C(CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1)NC1CCCCC1 ZINC000329446088 1094909780 /nfs/dbraw/zinc/90/97/80/1094909780.db2.gz LXAGUTAVFVUHRV-KRWDZBQOSA-N 0 1 373.545 4.321 20 30 FIEDMN N#Cc1ccc(N2CCC[C@@H](N[C@H](CC(F)F)c3ccccc3)C2=O)cc1 ZINC000420998634 1095236384 /nfs/dbraw/zinc/23/63/84/1095236384.db2.gz UDRATTPOKVFECG-RTBURBONSA-N 0 1 369.415 4.040 20 30 FIEDMN O=C(Nc1cccc(Cl)c1O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329734944 1095240552 /nfs/dbraw/zinc/24/05/52/1095240552.db2.gz KPJCGOMTXPLWOL-MAZHCROVSA-N 0 1 372.856 4.261 20 30 FIEDMN O=C(N[C@@H]1CC=CCC1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329763169 1095256568 /nfs/dbraw/zinc/25/65/68/1095256568.db2.gz UELPSYXUEAGUSW-DLBZAZTESA-N 0 1 357.502 4.055 20 30 FIEDMN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1CCC[C@]1(C)Cc1ccccc1)CCC2 ZINC000329866996 1095297830 /nfs/dbraw/zinc/29/78/30/1095297830.db2.gz VJEUCERKAWUJEJ-SIKLNZKXSA-N 0 1 366.509 4.080 20 30 FIEDMN CC(C)c1nc([C@H]2CCCCN2CC(=O)Nc2cc(F)ccc2F)n[nH]1 ZINC000329863252 1095298518 /nfs/dbraw/zinc/29/85/18/1095298518.db2.gz ZAHZOCFKWKTXIO-OAHLLOKOSA-N 0 1 363.412 4.022 20 30 FIEDMN CC[C@@H]1CCC[C@@H]1[NH+]=C([O-])N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000329986984 1095337982 /nfs/dbraw/zinc/33/79/82/1095337982.db2.gz FTOVEWHQECZMRP-AEFFLSMTSA-N 0 1 354.498 4.474 20 30 FIEDMN Cc1ccccc1[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000330034946 1095357573 /nfs/dbraw/zinc/35/75/73/1095357573.db2.gz BLJYVNLLKRWQGI-ICSRJNTNSA-N 0 1 366.509 4.381 20 30 FIEDMN CC(C)(C)c1nc2cc(NC(=O)N[C@H]3CCCc4cn[nH]c43)ccc2o1 ZINC000330103694 1095380876 /nfs/dbraw/zinc/38/08/76/1095380876.db2.gz GNFNFRIJAJUBNH-ZDUSSCGKSA-N 0 1 353.426 4.061 20 30 FIEDMN [O-]C(=[NH+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCC(c2ccc(O)cc2)CC1 ZINC000330174348 1095402362 /nfs/dbraw/zinc/40/23/62/1095402362.db2.gz ICFNVNIHHOHFLB-BDTNDASRSA-N 0 1 362.473 4.072 20 30 FIEDMN CC1(C)[C@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)[C@@H]2CCCO[C@H]21 ZINC000330236787 1095429569 /nfs/dbraw/zinc/42/95/69/1095429569.db2.gz UMYRIIGMXDKJBH-TZTCFGBESA-N 0 1 365.886 4.300 20 30 FIEDMN CC[C@@H]1C[C@]1(NCC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(C)c1 ZINC000502478387 1095507731 /nfs/dbraw/zinc/50/77/31/1095507731.db2.gz BQBVJSJMUZSRDH-IIBYNOLFSA-N 0 1 367.880 4.374 20 30 FIEDMN CC[C@H]1C[C@]1(NCC(=O)N(CCC#N)c1ccccc1)c1cccc(C)c1 ZINC000502545353 1095570090 /nfs/dbraw/zinc/57/00/90/1095570090.db2.gz XBZTWUNCPGRATF-WMZHIEFXSA-N 0 1 361.489 4.157 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Br)s3)[nH]c21 ZINC000522828973 1095748813 /nfs/dbraw/zinc/74/88/13/1095748813.db2.gz GRXQABAZBYBLNV-SECBINFHSA-N 0 1 360.236 4.185 20 30 FIEDMN N#Cc1cccc(NC[C@@H](c2ccccc2)N2CCc3sccc3C2)n1 ZINC000522932599 1095901040 /nfs/dbraw/zinc/90/10/40/1095901040.db2.gz BMGSJBBUYWXIEH-IBGZPJMESA-N 0 1 360.486 4.226 20 30 FIEDMN COCC[C@H](NCc1ccc(OC)c(OCCCC#N)c1)c1ccc(C)o1 ZINC000272346903 1096175677 /nfs/dbraw/zinc/17/56/77/1096175677.db2.gz ULOHVNLAGQTISQ-SFHVURJKSA-N 0 1 372.465 4.147 20 30 FIEDMN C[C@@H]1C[C@@]1(NCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000503365729 1096368486 /nfs/dbraw/zinc/36/84/86/1096368486.db2.gz HTAIZBXOJSFFCY-IERDGZPVSA-N 0 1 367.880 4.112 20 30 FIEDMN C[C@@H]1C[C@@]1(NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 ZINC000503407848 1096388510 /nfs/dbraw/zinc/38/85/10/1096388510.db2.gz RFOPKICZLLJAPZ-BLVKFPJESA-N 0 1 374.271 4.328 20 30 FIEDMN C[C@H]1C[C@@]1(NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 ZINC000503407849 1096388804 /nfs/dbraw/zinc/38/88/04/1096388804.db2.gz RFOPKICZLLJAPZ-BUXKBTBVSA-N 0 1 374.271 4.328 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H](C#N)CCc3ccccc3)[nH]c2c1 ZINC000435930251 1098569089 /nfs/dbraw/zinc/56/90/89/1098569089.db2.gz WRVZYJNAFDHURV-WIYYLYMNSA-N 0 1 372.472 4.307 20 30 FIEDMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000454762727 1098749246 /nfs/dbraw/zinc/74/92/46/1098749246.db2.gz OLBHMSVLBCPGAJ-JKSUJKDBSA-N 0 1 360.527 4.029 20 30 FIEDMN CCN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H](C)c1ccc(C#N)cc1 ZINC000505789617 1098909075 /nfs/dbraw/zinc/90/90/75/1098909075.db2.gz HODJPQDNAMYHNK-QMMLZNLJSA-N 0 1 353.510 4.122 20 30 FIEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H]1c1ccsc1 ZINC000533238687 1098910002 /nfs/dbraw/zinc/91/00/02/1098910002.db2.gz CBUGQGDQXIXMCX-OUBFZGACSA-N 0 1 359.539 4.204 20 30 FIEDMN N#CCCn1cc(C(=O)CN2CC[C@H](Cc3ccccc3)C2)c2ccccc21 ZINC000533292049 1098941112 /nfs/dbraw/zinc/94/11/12/1098941112.db2.gz QLMMJVOZIKYQIW-HXUWFJFHSA-N 0 1 371.484 4.302 20 30 FIEDMN C=CCCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000533300347 1098952583 /nfs/dbraw/zinc/95/25/83/1098952583.db2.gz QEFWEDNUAHHEEG-UHFFFAOYSA-N 0 1 356.514 4.318 20 30 FIEDMN C=CCCCN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000533300347 1098952585 /nfs/dbraw/zinc/95/25/85/1098952585.db2.gz QEFWEDNUAHHEEG-UHFFFAOYSA-N 0 1 356.514 4.318 20 30 FIEDMN CN(Cc1nnc(-c2cccc(C#N)c2)o1)CC12CC3CC(CC(C3)C1)C2 ZINC000533606024 1099221723 /nfs/dbraw/zinc/22/17/23/1099221723.db2.gz GXHPQPCQSBBVHY-UHFFFAOYSA-N 0 1 362.477 4.256 20 30 FIEDMN CSc1nc(C2CC2)cc(-c2nc(-c3ccc(O)c(F)c3)no2)c1C#N ZINC000436871699 1099383376 /nfs/dbraw/zinc/38/33/76/1099383376.db2.gz HSRUWEQUVGFQGY-UHFFFAOYSA-N 0 1 368.393 4.114 20 30 FIEDMN C=CCOc1ccccc1CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000161516427 1099503144 /nfs/dbraw/zinc/50/31/44/1099503144.db2.gz SSEUTQKDYYUPHF-KRWDZBQOSA-N 0 1 350.462 4.229 20 30 FIEDMN C=CCOc1ccc(CN(Cc2cc(C(N)=O)cs2)C(C)(C)C)cc1 ZINC000506041948 1099846245 /nfs/dbraw/zinc/84/62/45/1099846245.db2.gz ZFJLMPYBYCYUFY-UHFFFAOYSA-N 0 1 358.507 4.213 20 30 FIEDMN N#Cc1ccc2c(c1)[C@@H](NCc1cc(Br)cc3c1OCC3)CC2 ZINC000516896580 1099921497 /nfs/dbraw/zinc/92/14/97/1099921497.db2.gz NKVYGAUROLXPRL-SFHVURJKSA-N 0 1 369.262 4.033 20 30 FIEDMN OC[C@H](CC(F)(F)F)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000533803734 1099961214 /nfs/dbraw/zinc/96/12/14/1099961214.db2.gz ZOYYHRKFEBBFOQ-JTQLQIEISA-N 0 1 369.227 4.127 20 30 FIEDMN CC(C)N(Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccc(C#N)cc1 ZINC000437582942 1100010019 /nfs/dbraw/zinc/01/00/19/1100010019.db2.gz WIDWZBCHJVXWQV-UHFFFAOYSA-N 0 1 362.452 4.353 20 30 FIEDMN CN(Cc1ccc(C#N)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438487638 1100688226 /nfs/dbraw/zinc/68/82/26/1100688226.db2.gz TZPRLGVBHABOJD-KRWDZBQOSA-N 0 1 357.251 4.276 20 30 FIEDMN N#CC(C(=O)c1cc(C2CCCCC2)[nH]n1)c1cc(C(F)(F)F)ccn1 ZINC000518152808 1100950543 /nfs/dbraw/zinc/95/05/43/1100950543.db2.gz BWBCRIDWSKVHFO-CYBMUJFWSA-N 0 1 362.355 4.361 20 30 FIEDMN N#Cc1ccc2ncc(CN3Cc4ccccc4[C@@H](c4ccccc4)C3)n2c1 ZINC000506393865 1100957876 /nfs/dbraw/zinc/95/78/76/1100957876.db2.gz HEOJNXAAMPNQMB-HSZRJFAPSA-N 0 1 364.452 4.354 20 30 FIEDMN Cn1cc(-c2ccc(CN3CCC[C@H]3[C@H](C#N)c3ccccc3)s2)cn1 ZINC000518404180 1101159418 /nfs/dbraw/zinc/15/94/18/1101159418.db2.gz QMKGMGWCXOIHRZ-UXHICEINSA-N 0 1 362.502 4.420 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](CC)c1ccccc1OC(F)F ZINC000537053255 1101429019 /nfs/dbraw/zinc/42/90/19/1101429019.db2.gz IPOHNVIRIQBMFN-GDBMZVCRSA-N 0 1 354.441 4.142 20 30 FIEDMN CC(C)[C@H](NCc1ccc(C#N)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000439458920 1101445763 /nfs/dbraw/zinc/44/57/63/1101445763.db2.gz FTWYENMIVBLLDW-FQEVSTJZSA-N 0 1 356.853 4.470 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)[nH]c21 ZINC000439663106 1101640147 /nfs/dbraw/zinc/64/01/47/1101640147.db2.gz RNCGWGLSAARNFA-HNNXBMFYSA-N 0 1 362.389 4.393 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127541378 1101910848 /nfs/dbraw/zinc/91/08/48/1101910848.db2.gz MQCLJQRNZIJTOF-STQMWFEESA-N 0 1 361.367 4.255 20 30 FIEDMN N#C[C@H](C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccncn1 ZINC000760350492 1101930739 /nfs/dbraw/zinc/93/07/39/1101930739.db2.gz AEJPETIDNQRKSA-KFWWJZLASA-N 0 1 360.442 4.013 20 30 FIEDMN COc1cc(F)c(C(C)N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000760247602 1102021817 /nfs/dbraw/zinc/02/18/17/1102021817.db2.gz CTTGTUMHNVONLM-UHFFFAOYSA-N 0 1 367.764 4.241 20 30 FIEDMN O[C@@H](CN(CC#Cc1ccc(F)cc1)Cc1ccccc1)c1ccsc1 ZINC001168191406 1102242816 /nfs/dbraw/zinc/24/28/16/1102242816.db2.gz CRBRXQPVLWDSEN-QFIPXVFZSA-N 0 1 365.473 4.475 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000550080396 1102406700 /nfs/dbraw/zinc/40/67/00/1102406700.db2.gz ZDELUTFTUAEYDM-SOLBZPMBSA-N 0 1 371.550 4.387 20 30 FIEDMN COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1F ZINC000121780407 1102436621 /nfs/dbraw/zinc/43/66/21/1102436621.db2.gz NZYITMMRKROVLG-CQSZACIVSA-N 0 1 352.390 4.448 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)ccc1F ZINC000121780407 1102436631 /nfs/dbraw/zinc/43/66/31/1102436631.db2.gz NZYITMMRKROVLG-CQSZACIVSA-N 0 1 352.390 4.448 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1C(C)(C)C ZINC000532581756 1102503301 /nfs/dbraw/zinc/50/33/01/1102503301.db2.gz VGRMVJKPNLWNJP-CRAIPNDOSA-N 0 1 359.539 4.387 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1csc(Cc2ccccc2)n1 ZINC000122091556 1102517077 /nfs/dbraw/zinc/51/70/77/1102517077.db2.gz GFCBQINMBLLHLI-HNNXBMFYSA-N 0 1 372.453 4.111 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1csc(Cc2ccccc2)n1 ZINC000122091556 1102517087 /nfs/dbraw/zinc/51/70/87/1102517087.db2.gz GFCBQINMBLLHLI-HNNXBMFYSA-N 0 1 372.453 4.111 20 30 FIEDMN CC[C@H](C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000550142168 1102586073 /nfs/dbraw/zinc/58/60/73/1102586073.db2.gz ABTQWKJIDMEIJU-XMSQKQJNSA-N 0 1 363.505 4.378 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000122861497 1102621438 /nfs/dbraw/zinc/62/14/38/1102621438.db2.gz GSZGRZSZLNTKBE-AWEZNQCLSA-N 0 1 359.360 4.462 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000122861497 1102621451 /nfs/dbraw/zinc/62/14/51/1102621451.db2.gz GSZGRZSZLNTKBE-AWEZNQCLSA-N 0 1 359.360 4.462 20 30 FIEDMN N#Cc1c2c(sc1NC(=O)c1ccc3cncn3c1)CCCCCC2 ZINC000551167549 1102956160 /nfs/dbraw/zinc/95/61/60/1102956160.db2.gz MTHAQQHWAVLECL-UHFFFAOYSA-N 0 1 350.447 4.179 20 30 FIEDMN C=CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2c(F)cccc2F)cc1Cl ZINC000426757436 1102972283 /nfs/dbraw/zinc/97/22/83/1102972283.db2.gz OULMJMYCKICMOQ-QGZVFWFLSA-N 0 1 367.779 4.099 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cccc(OCC)c2)no1 ZINC001211976016 1103137979 /nfs/dbraw/zinc/13/79/79/1103137979.db2.gz XGWNVJZJSJOHGH-HKUYNNGSSA-N 0 1 373.497 4.213 20 30 FIEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000477141241 1103162428 /nfs/dbraw/zinc/16/24/28/1103162428.db2.gz VDKRCUXQQMTZOO-SFHVURJKSA-N 0 1 351.494 4.243 20 30 FIEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1ccccc1-c1ccccc1 ZINC000507276433 1103261766 /nfs/dbraw/zinc/26/17/66/1103261766.db2.gz WWEUJXHVAUJICQ-MBSDFSHPSA-N 0 1 363.505 4.228 20 30 FIEDMN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000507375635 1103332921 /nfs/dbraw/zinc/33/29/21/1103332921.db2.gz PJTVNZDMVYDYOF-CYBMUJFWSA-N 0 1 358.367 4.418 20 30 FIEDMN N#Cc1ccc2ncc(CN[C@H](Cc3ccccc3)c3ccccc3F)n2c1 ZINC000551553084 1103351115 /nfs/dbraw/zinc/35/11/15/1103351115.db2.gz STHDVGIJVPLENG-JOCHJYFZSA-N 0 1 370.431 4.419 20 30 FIEDMN N#CCC1(CNC(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000519629248 1103751090 /nfs/dbraw/zinc/75/10/90/1103751090.db2.gz FPDBFXQTTMKMCJ-MRXNPFEDSA-N 0 1 371.872 4.147 20 30 FIEDMN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000519870584 1103915687 /nfs/dbraw/zinc/91/56/87/1103915687.db2.gz QCDIUASPYJKNEB-QHCPKHFHSA-N 0 1 372.468 4.139 20 30 FIEDMN N#CCc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000440747064 1103926030 /nfs/dbraw/zinc/92/60/30/1103926030.db2.gz MGENWWFAEQWBMT-GOSISDBHSA-N 0 1 364.836 4.260 20 30 FIEDMN O=C(N[C@@H]1CCc2ccccc21)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000329359198 1104242131 /nfs/dbraw/zinc/24/21/31/1104242131.db2.gz XKNJHCFLAJLKSC-MOPGFXCFSA-N 0 1 373.460 4.210 20 30 FIEDMN O=C(N[C@@H]1CCc2ccccc21)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000329359198 1104242139 /nfs/dbraw/zinc/24/21/39/1104242139.db2.gz XKNJHCFLAJLKSC-MOPGFXCFSA-N 0 1 373.460 4.210 20 30 FIEDMN C=C(C)CN(CC)C(=O)CN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000441304781 1104257864 /nfs/dbraw/zinc/25/78/64/1104257864.db2.gz GABUBPVMMWMPNM-UHFFFAOYSA-N 0 1 363.505 4.138 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cnc(C4CC4)nc3)n2)cc1 ZINC000520344301 1104283938 /nfs/dbraw/zinc/28/39/38/1104283938.db2.gz GTFLJCKFRSBAQH-MRXNPFEDSA-N 0 1 360.442 4.276 20 30 FIEDMN Cc1ccc2c(c1)OCCC[C@@H]2NCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000328661842 1104527153 /nfs/dbraw/zinc/52/71/53/1104527153.db2.gz WUUAWPFNXITXGJ-RBUKOAKNSA-N 0 1 366.461 4.279 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3CCSc4c(F)cccc43)C2)n[nH]1 ZINC000328666634 1104528755 /nfs/dbraw/zinc/52/87/55/1104528755.db2.gz CRYGDARKDDMEAA-CJNGLKHVSA-N 0 1 374.485 4.188 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CCSc4c(F)cccc43)C2)n[nH]1 ZINC000328666636 1104528928 /nfs/dbraw/zinc/52/89/28/1104528928.db2.gz CRYGDARKDDMEAA-CZUORRHYSA-N 0 1 374.485 4.188 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)C3)C2)n[nH]1 ZINC000328719379 1104533648 /nfs/dbraw/zinc/53/36/48/1104533648.db2.gz VNTYXVCRGLOSCJ-KFWWJZLASA-N 0 1 372.435 4.180 20 30 FIEDMN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@@H]3CCc4[nH]nnc4C3)c2)C1 ZINC000328773646 1104555528 /nfs/dbraw/zinc/55/55/28/1104555528.db2.gz KALQMBQUKOPNCF-QGPMSJSTSA-N 0 1 368.481 4.293 20 30 FIEDMN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@@H]3CCc4nn[nH]c4C3)c2)C1 ZINC000328773646 1104555537 /nfs/dbraw/zinc/55/55/37/1104555537.db2.gz KALQMBQUKOPNCF-QGPMSJSTSA-N 0 1 368.481 4.293 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H](c3ccccc3)C3CCC3)C2)n[nH]1 ZINC000328729828 1104558137 /nfs/dbraw/zinc/55/81/37/1104558137.db2.gz HQVFHVFUBMISHA-UYAOXDASSA-N 0 1 352.482 4.353 20 30 FIEDMN C[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[C@H]1c1ccccc1 ZINC000441438890 1104699629 /nfs/dbraw/zinc/69/96/29/1104699629.db2.gz SFABBKDSRGIVMC-OXQOHEQNSA-N 0 1 358.445 4.234 20 30 FIEDMN C=C(C)COc1cc(CN2CCC[C@H]2c2c(C)n[nH]c2C)ccc1OC ZINC000520459767 1104761406 /nfs/dbraw/zinc/76/14/06/1104761406.db2.gz HWEVJRVLIAMPCQ-SFHVURJKSA-N 0 1 355.482 4.327 20 30 FIEDMN N#CC1(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CCCCC1 ZINC000441532184 1104973488 /nfs/dbraw/zinc/97/34/88/1104973488.db2.gz VPKBIQULLIKUGE-MRXNPFEDSA-N 0 1 356.857 4.354 20 30 FIEDMN C=CCC[C@H](NC(=O)Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000441586604 1105005720 /nfs/dbraw/zinc/00/57/20/1105005720.db2.gz FLPIHKAOKBTLIP-INIZCTEOSA-N 0 1 351.372 4.103 20 30 FIEDMN CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000487395206 1105034841 /nfs/dbraw/zinc/03/48/41/1105034841.db2.gz PRZMCXWWFNPRNI-OAQYLSRUSA-N 0 1 361.489 4.115 20 30 FIEDMN COc1ccccc1CN1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001203438113 1105066706 /nfs/dbraw/zinc/06/67/06/1105066706.db2.gz SCPUFSBCXKOJKP-UHFFFAOYSA-N 0 1 356.853 4.264 20 30 FIEDMN N#Cc1ccc(CN[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000474010371 1105148148 /nfs/dbraw/zinc/14/81/48/1105148148.db2.gz YBCIXHBCUNTEDS-KRWDZBQOSA-N 0 1 374.271 4.150 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccccc4)nc3c2)cc1O ZINC000427810569 1105284645 /nfs/dbraw/zinc/28/46/45/1105284645.db2.gz ZVNCOJNZQHJSDZ-UHFFFAOYSA-N 0 1 354.369 4.059 20 30 FIEDMN N#CCCCn1cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c2ccccc21 ZINC000428046726 1105355297 /nfs/dbraw/zinc/35/52/97/1105355297.db2.gz VSOQDRWPWNZELP-UHFFFAOYSA-N 0 1 361.380 4.213 20 30 FIEDMN C[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)N1CCc2sccc2C1 ZINC000523088392 1107564911 /nfs/dbraw/zinc/56/49/11/1107564911.db2.gz FDLQJOYYZRYYOE-LBPRGKRZSA-N 0 1 365.424 4.497 20 30 FIEDMN COc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccc(C#N)s2)cc1 ZINC000475561944 1107726830 /nfs/dbraw/zinc/72/68/30/1107726830.db2.gz RXOKMTJJQFPCIP-UHFFFAOYSA-N 0 1 363.486 4.268 20 30 FIEDMN COc1ccc(CN(CCc2ccccn2)Cc2ccc(C#N)s2)cc1 ZINC000475561944 1107726844 /nfs/dbraw/zinc/72/68/44/1107726844.db2.gz RXOKMTJJQFPCIP-UHFFFAOYSA-N 0 1 363.486 4.268 20 30 FIEDMN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000523135547 1107919675 /nfs/dbraw/zinc/91/96/75/1107919675.db2.gz PGORWXMHEIMQOB-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN N#CC(CCN[C@H](CCO)c1ccco1)(c1ccccc1)c1ccccc1 ZINC000193122819 1107953436 /nfs/dbraw/zinc/95/34/36/1107953436.db2.gz YHKOKBUIWKSDEG-OAQYLSRUSA-N 0 1 360.457 4.193 20 30 FIEDMN Cc1cccc2nc(CCC(=O)N[C@H](CCCC#N)c3ccccc3)[nH]c21 ZINC000487503315 1107990749 /nfs/dbraw/zinc/99/07/49/1107990749.db2.gz QKFAHNZYWVRXSM-GOSISDBHSA-N 0 1 360.461 4.355 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccc(C#N)cc1 ZINC000531695516 1108074470 /nfs/dbraw/zinc/07/44/70/1108074470.db2.gz IMPZPVTYIJAHIC-KGLIPLIRSA-N 0 1 351.841 4.204 20 30 FIEDMN COc1cc(CN[C@@H](C)c2ccc(Br)s2)ccc1C#N ZINC000440608122 1108310405 /nfs/dbraw/zinc/31/04/05/1108310405.db2.gz FCGMCQMXYXUCSA-JTQLQIEISA-N 0 1 351.269 4.242 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NCc2ccc(F)c(CN(C)C)c2)c1 ZINC000523765337 1108510089 /nfs/dbraw/zinc/51/00/89/1108510089.db2.gz YYKOAFHHHKSFRI-UHFFFAOYSA-N 0 1 371.456 4.164 20 30 FIEDMN CCOc1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1OCC ZINC000524034897 1108763396 /nfs/dbraw/zinc/76/33/96/1108763396.db2.gz CUCCCNXDWHRZOG-HNNXBMFYSA-N 0 1 363.417 4.159 20 30 FIEDMN COc1cc(CNC2(c3cccc(Br)c3)CC2)ccc1C#N ZINC000440811086 1108889567 /nfs/dbraw/zinc/88/95/67/1108889567.db2.gz GBNARLDXJLQOGF-UHFFFAOYSA-N 0 1 357.251 4.108 20 30 FIEDMN COc1cc(CNCc2ccnc(OC3CCC(C)CC3)c2)ccc1C#N ZINC000440826826 1108938787 /nfs/dbraw/zinc/93/87/87/1108938787.db2.gz NVYNZXYMAFVKBC-UHFFFAOYSA-N 0 1 365.477 4.209 20 30 FIEDMN C=CCN(Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000508547315 1109042083 /nfs/dbraw/zinc/04/20/83/1109042083.db2.gz ASPBEOMKZXJPTN-UHFFFAOYSA-N 0 1 361.445 4.036 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000525423082 1109384851 /nfs/dbraw/zinc/38/48/51/1109384851.db2.gz ALHHHVHOAUXPRP-GOSISDBHSA-N 0 1 356.853 4.436 20 30 FIEDMN CC(C)(CO)[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000429718913 1109604704 /nfs/dbraw/zinc/60/47/04/1109604704.db2.gz BSCOVQOXJFATMY-IBGZPJMESA-N 0 1 361.407 4.406 20 30 FIEDMN N#Cc1ccc(CN2CCCN(Cc3cc(F)ccc3Cl)CC2)cc1 ZINC000527324196 1109739762 /nfs/dbraw/zinc/73/97/62/1109739762.db2.gz UTDZVUUHKKICAF-UHFFFAOYSA-N 0 1 357.860 4.059 20 30 FIEDMN C=C(Cl)COc1ccc([C@@H](C)NC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000527941435 1109865518 /nfs/dbraw/zinc/86/55/18/1109865518.db2.gz ZBQXNZXXQCGUFC-CJNGLKHVSA-N 0 1 373.806 4.469 20 30 FIEDMN N#Cc1ccc(C2(NCc3cc(-c4ccccc4)no3)CCOCC2)cc1 ZINC000528783672 1110112132 /nfs/dbraw/zinc/11/21/32/1110112132.db2.gz PTVQLIKGHODHLJ-UHFFFAOYSA-N 0 1 359.429 4.009 20 30 FIEDMN N#CC(C(=O)c1cc2c(ccc3ccccc23)o1)c1nnc2n1CCCCC2 ZINC000528928460 1110153499 /nfs/dbraw/zinc/15/34/99/1110153499.db2.gz OBFPIWBQBIKWFV-QGZVFWFLSA-N 0 1 370.412 4.394 20 30 FIEDMN C[C@@H](Sc1ccccc1Cl)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053528350 1110163241 /nfs/dbraw/zinc/16/32/41/1110163241.db2.gz BVHKYIVHEHWYFO-SNVBAGLBSA-N 0 1 359.842 4.289 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(-c3csnn3)cc2)s1 ZINC000529009254 1110175905 /nfs/dbraw/zinc/17/59/05/1110175905.db2.gz NGICNFIPQRXNAW-ZDUSSCGKSA-N 0 1 368.487 4.449 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000026369020 1110267178 /nfs/dbraw/zinc/26/71/78/1110267178.db2.gz NGMWBXNFKGMBIB-RYUDHWBXSA-N 0 1 373.909 4.440 20 30 FIEDMN CCOCCOc1cc(C)ccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000538507198 1111172896 /nfs/dbraw/zinc/17/28/96/1111172896.db2.gz NCBKWKAJECEHIK-MRXNPFEDSA-N 0 1 356.441 4.272 20 30 FIEDMN FC(F)(F)c1ccc(C#CCNCc2cnc3ccc(Cl)cn23)cc1 ZINC000538604034 1111210381 /nfs/dbraw/zinc/21/03/81/1111210381.db2.gz IAKKCULYJNATPE-UHFFFAOYSA-N 0 1 363.770 4.148 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H](C)c3cccc(C#N)c3)[nH]c2c1 ZINC000462021815 1111466897 /nfs/dbraw/zinc/46/68/97/1111466897.db2.gz CERNETQUVCXYLN-FOIQADDNSA-N 0 1 358.445 4.210 20 30 FIEDMN CCOc1ccc([C@H](CNCCC#N)c2c[nH]c3ccccc32)cc1OC ZINC000552051621 1111555724 /nfs/dbraw/zinc/55/57/24/1111555724.db2.gz RVEXAMLSTJZQTK-SFHVURJKSA-N 0 1 363.461 4.210 20 30 FIEDMN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc(Br)cc1C#N ZINC000553918407 1112130602 /nfs/dbraw/zinc/13/06/02/1112130602.db2.gz HVUYRZMVMPWLAZ-SJORKVTESA-N 0 1 351.288 4.004 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000480133830 1112298969 /nfs/dbraw/zinc/29/89/69/1112298969.db2.gz RNFDBVOTXWOYBH-UHFFFAOYSA-N 0 1 374.444 4.009 20 30 FIEDMN C=C(C)[C@@H](N[C@@H](C)CC(=O)NCCc1ccccc1)c1ccc(F)c(F)c1 ZINC000480689622 1112547540 /nfs/dbraw/zinc/54/75/40/1112547540.db2.gz NMJRGIGSZJHUMJ-KSFYIVLOSA-N 0 1 372.459 4.309 20 30 FIEDMN N#Cc1cc(Cl)ccc1CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000480875037 1112645347 /nfs/dbraw/zinc/64/53/47/1112645347.db2.gz ROQAFSURMNTRDH-SFHVURJKSA-N 0 1 363.852 4.334 20 30 FIEDMN N#Cc1cc(Cl)ccc1CN1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000480875037 1112645352 /nfs/dbraw/zinc/64/53/52/1112645352.db2.gz ROQAFSURMNTRDH-SFHVURJKSA-N 0 1 363.852 4.334 20 30 FIEDMN CCOc1ccc(C[C@H](C)C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1 ZINC000842306665 1112934111 /nfs/dbraw/zinc/93/41/11/1112934111.db2.gz KMONXIXYWUTFFL-YJBOKZPZSA-N 0 1 361.445 4.325 20 30 FIEDMN C=C(C)[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000481615915 1113000862 /nfs/dbraw/zinc/00/08/62/1113000862.db2.gz YKNVEHHADPSAQP-HXUWFJFHSA-N 0 1 355.388 4.072 20 30 FIEDMN CCCOc1nc(C)ccc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000482587712 1113303701 /nfs/dbraw/zinc/30/37/01/1113303701.db2.gz XBYVOQNKGDMWIZ-AWEZNQCLSA-N 0 1 363.339 4.083 20 30 FIEDMN CCCOc1nc(C)ccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000482587712 1113303703 /nfs/dbraw/zinc/30/37/03/1113303703.db2.gz XBYVOQNKGDMWIZ-AWEZNQCLSA-N 0 1 363.339 4.083 20 30 FIEDMN O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000482734063 1113345131 /nfs/dbraw/zinc/34/51/31/1113345131.db2.gz YZFFZLWQQFRQFK-FQEVSTJZSA-N 0 1 356.429 4.009 20 30 FIEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306111 1113349642 /nfs/dbraw/zinc/34/96/42/1113349642.db2.gz XWPVAZDPEUVJJY-YOEHRIQHSA-N 0 1 353.853 4.028 20 30 FIEDMN C=CCN(CC1CCCCC1)C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000482881502 1113391356 /nfs/dbraw/zinc/39/13/56/1113391356.db2.gz UHRVXQYRKIRCLX-UHFFFAOYSA-N 0 1 372.578 4.444 20 30 FIEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)n[nH]1 ZINC000489183907 1114065461 /nfs/dbraw/zinc/06/54/61/1114065461.db2.gz ZGPYZTURCQYISE-GJZGRUSLSA-N 0 1 373.460 4.348 20 30 FIEDMN COc1cccc(CN(Cc2ccc(F)cc2C#N)C2CCC(O)CC2)c1 ZINC000489598820 1114141863 /nfs/dbraw/zinc/14/18/63/1114141863.db2.gz SAWITGWAWHBHBK-UHFFFAOYSA-N 0 1 368.452 4.012 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@H](C3CC3)C2)c1C#N ZINC000491133936 1114376950 /nfs/dbraw/zinc/37/69/50/1114376950.db2.gz UQWUOEXMAQCMPM-GOSISDBHSA-N 0 1 368.525 4.152 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@H](C3CC3)C2)c1C#N ZINC000588978232 1114683994 /nfs/dbraw/zinc/68/39/94/1114683994.db2.gz SFHDHUNGMUZLLA-SFHVURJKSA-N 0 1 368.525 4.152 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H](C3CC3)C2)c1C#N ZINC000588978232 1114684000 /nfs/dbraw/zinc/68/40/00/1114684000.db2.gz SFHDHUNGMUZLLA-SFHVURJKSA-N 0 1 368.525 4.152 20 30 FIEDMN C=CCN(Cc1ccc(OC)cc1)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000589597471 1114816143 /nfs/dbraw/zinc/81/61/43/1114816143.db2.gz HQWZLAULQDCSFL-UHFFFAOYSA-N 0 1 366.505 4.269 20 30 FIEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000165523582 1114835025 /nfs/dbraw/zinc/83/50/25/1114835025.db2.gz IFOFSYMYMNTFLG-BSDSXHPESA-N 0 1 368.477 4.339 20 30 FIEDMN CN1CCc2c(C#N)c(Nc3cccc(OCC(F)(F)F)c3)sc2C1 ZINC001212164158 1114938227 /nfs/dbraw/zinc/93/82/27/1114938227.db2.gz APSYCICZSURBLN-UHFFFAOYSA-N 0 1 367.396 4.292 20 30 FIEDMN N#Cc1ccc(OC2CCN(Cc3cc4cc(Cl)cnc4o3)CC2)cc1 ZINC000590638918 1114957276 /nfs/dbraw/zinc/95/72/76/1114957276.db2.gz RQWAGWYOIOTAOA-UHFFFAOYSA-N 0 1 367.836 4.396 20 30 FIEDMN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)[C@H]1Sc1ccccc1 ZINC000590956246 1114996088 /nfs/dbraw/zinc/99/60/88/1114996088.db2.gz ATMFOCLDENDBMZ-XUVXKRRUSA-N 0 1 356.466 4.125 20 30 FIEDMN Cc1nc2scc(C3CC3)n2c1CNCc1ccc(C#N)c(Cl)c1 ZINC000590964563 1114997328 /nfs/dbraw/zinc/99/73/28/1114997328.db2.gz MIHBUPGPNMJNRU-UHFFFAOYSA-N 0 1 356.882 4.397 20 30 FIEDMN C[C@H](N[C@@H](CCO)c1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000592398041 1115299947 /nfs/dbraw/zinc/29/99/47/1115299947.db2.gz WGZSLVZDQMZGGS-UGSOOPFHSA-N 0 1 364.367 4.231 20 30 FIEDMN CC(C)(C#N)c1ccc(S(=O)(=O)Nc2ccccc2OCC2CC2)cc1 ZINC000593207070 1115306642 /nfs/dbraw/zinc/30/66/42/1115306642.db2.gz YLNHEPDBZLDGEC-UHFFFAOYSA-N 0 1 370.474 4.077 20 30 FIEDMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(C)(C)CCC#N ZINC000593405466 1115327006 /nfs/dbraw/zinc/32/70/06/1115327006.db2.gz RTHMQZRKXZLVRC-GBESFXJTSA-N 0 1 370.541 4.009 20 30 FIEDMN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(C)(C)CCC#N ZINC000593405466 1115327010 /nfs/dbraw/zinc/32/70/10/1115327010.db2.gz RTHMQZRKXZLVRC-GBESFXJTSA-N 0 1 370.541 4.009 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)NCC2(C#N)CCCC2)c1 ZINC000593773159 1115349083 /nfs/dbraw/zinc/34/90/83/1115349083.db2.gz AMSACGZPYWGPQK-UHFFFAOYSA-N 0 1 361.489 4.132 20 30 FIEDMN CC[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1F ZINC000594019835 1115364890 /nfs/dbraw/zinc/36/48/90/1115364890.db2.gz WBSQLEXDZPWXDE-OXJNMPFZSA-N 0 1 353.441 4.202 20 30 FIEDMN CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(CN(CC)CC)o2)cc1 ZINC000594029263 1115365442 /nfs/dbraw/zinc/36/54/42/1115365442.db2.gz IWIAYWJDCCFGHJ-LJQANCHMSA-N 0 1 353.466 4.021 20 30 FIEDMN CC(C)(NCc1cc(Br)cc2c1OCC2)c1cccc(C#N)c1 ZINC000594970274 1115499029 /nfs/dbraw/zinc/49/90/29/1115499029.db2.gz WTPSVHKEBTYYLU-UHFFFAOYSA-N 0 1 371.278 4.281 20 30 FIEDMN Cc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)c(O[C@H]2CCOC2)c1 ZINC000594932805 1115500295 /nfs/dbraw/zinc/50/02/95/1115500295.db2.gz UQXBMCWUZLEVEQ-NRFANRHFSA-N 0 1 362.473 4.008 20 30 FIEDMN N#CC1(c2ccc(CN[C@@H](CO)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000594936497 1115500906 /nfs/dbraw/zinc/50/09/06/1115500906.db2.gz MGKJQQBCMMXYGK-SFHVURJKSA-N 0 1 360.379 4.084 20 30 FIEDMN C[C@@H](OC(=O)Cc1ccccc1CC#N)c1nc2ccc(Cl)cc2[nH]1 ZINC000761105492 1115524185 /nfs/dbraw/zinc/52/41/85/1115524185.db2.gz VFZHECJEJPTFPW-GFCCVEGCSA-N 0 1 353.809 4.129 20 30 FIEDMN CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CC[C@](C)(C#N)C1 ZINC000595841469 1115563932 /nfs/dbraw/zinc/56/39/32/1115563932.db2.gz UZCMPDLYLWGYGE-HXUWFJFHSA-N 0 1 361.917 4.419 20 30 FIEDMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027798 1115634697 /nfs/dbraw/zinc/63/46/97/1115634697.db2.gz RPBSJNYNNROLEP-CPJLOUKISA-N 0 1 352.503 4.172 20 30 FIEDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)CC1(C#N)CCCCC1 ZINC000597034135 1115635792 /nfs/dbraw/zinc/63/57/92/1115635792.db2.gz YMIIVAXNZYGDOZ-UHFFFAOYSA-N 0 1 371.550 4.347 20 30 FIEDMN N#CC1(c2ccc(CN(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc2)CC1 ZINC000597130042 1115642934 /nfs/dbraw/zinc/64/29/34/1115642934.db2.gz IVJUEAKJMKYKQH-AZUAARDMSA-N 0 1 364.514 4.242 20 30 FIEDMN CCN(CC(=O)N(C)[C@H](C)c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477366 1115646076 /nfs/dbraw/zinc/64/60/76/1115646076.db2.gz SEUCWHYXDCRNHN-IAGOWNOFSA-N 0 1 367.468 4.300 20 30 FIEDMN N#CC[C@@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000597174239 1115646560 /nfs/dbraw/zinc/64/65/60/1115646560.db2.gz OKQOLKYDBDWEIK-FQEVSTJZSA-N 0 1 371.488 4.119 20 30 FIEDMN CCOC(=O)c1ccc(-c2ccc(CN3CCC[C@H](CC#N)C3)o2)cc1 ZINC000597176275 1115646760 /nfs/dbraw/zinc/64/67/60/1115646760.db2.gz HEOSJMKAVVRZPF-MRXNPFEDSA-N 0 1 352.434 4.249 20 30 FIEDMN CCOC(=O)c1ccc(-c2ccc(CN3CCC[C@@H](CC#N)C3)o2)cc1 ZINC000597176274 1115646992 /nfs/dbraw/zinc/64/69/92/1115646992.db2.gz HEOSJMKAVVRZPF-INIZCTEOSA-N 0 1 352.434 4.249 20 30 FIEDMN N#Cc1cccc(CN2CCC(NC(=O)c3cccc(C4CCC4)c3)CC2)c1 ZINC000593351655 1115664776 /nfs/dbraw/zinc/66/47/76/1115664776.db2.gz PKCUUIJQDFTJEU-UHFFFAOYSA-N 0 1 373.500 4.220 20 30 FIEDMN C[C@@H](CCC(C)(C)C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593351847 1115665072 /nfs/dbraw/zinc/66/50/72/1115665072.db2.gz SWGPFWKHVDSQFS-KRWDZBQOSA-N 0 1 355.526 4.101 20 30 FIEDMN N#Cc1cccc(CN2CCC(NC(=O)CCCC3CCCCC3)CC2)c1 ZINC000593352675 1115665198 /nfs/dbraw/zinc/66/51/98/1115665198.db2.gz KXQLYNUUBKIRKY-UHFFFAOYSA-N 0 1 367.537 4.389 20 30 FIEDMN Cc1ccc(/C=C/CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000593355443 1115665962 /nfs/dbraw/zinc/66/59/62/1115665962.db2.gz XIIWCWAQRPZDBL-ONEGZZNKSA-N 0 1 373.500 4.051 20 30 FIEDMN CC(C)c1cccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000597821313 1115687031 /nfs/dbraw/zinc/68/70/31/1115687031.db2.gz RNYQDRNHGJFDSV-UHFFFAOYSA-N 0 1 361.489 4.076 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H](CC#N)C2)c1 ZINC000597902609 1115694867 /nfs/dbraw/zinc/69/48/67/1115694867.db2.gz ATVPELKHBMOJMP-HXUWFJFHSA-N 0 1 361.489 4.084 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3ccnc(C(F)(F)F)c3)CC2)c1 ZINC000593515958 1115710964 /nfs/dbraw/zinc/71/09/64/1115710964.db2.gz UNLDVGJTNGJYBW-UHFFFAOYSA-N 0 1 360.383 4.049 20 30 FIEDMN CCC[C@@H](NC(=O)CN(CCC)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000061001878 1115747570 /nfs/dbraw/zinc/74/75/70/1115747570.db2.gz ZRHULWCDQPWDHQ-JOCHJYFZSA-N 0 1 363.505 4.428 20 30 FIEDMN CC(C)(C)OC(=O)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000598976603 1115774236 /nfs/dbraw/zinc/77/42/36/1115774236.db2.gz YFTPZMQYCDSQNJ-KRWDZBQOSA-N 0 1 354.475 4.352 20 30 FIEDMN Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ncc1Br ZINC000598982804 1115775281 /nfs/dbraw/zinc/77/52/81/1115775281.db2.gz OULOPWQJXPMYBR-GOSISDBHSA-N 0 1 356.267 4.191 20 30 FIEDMN CC(C)(C)OC(=O)[C@@H]1C[C@H](NCc2ccc(C#N)s2)c2ccccc21 ZINC000593692693 1115795626 /nfs/dbraw/zinc/79/56/26/1115795626.db2.gz YXEBHCWVQCRWNF-MSOLQXFVSA-N 0 1 354.475 4.280 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)CC(C)C)cc1Cl ZINC000171037028 1115823099 /nfs/dbraw/zinc/82/30/99/1115823099.db2.gz PYQQHMPMYOTWLD-JSGCOSHPSA-N 0 1 350.846 4.068 20 30 FIEDMN CCCN(CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000603882574 1115825812 /nfs/dbraw/zinc/82/58/12/1115825812.db2.gz QMKHTMUZQISLNN-QHCPKHFHSA-N 0 1 361.489 4.038 20 30 FIEDMN CCS[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)C(C)C ZINC000171366033 1115864094 /nfs/dbraw/zinc/86/40/94/1115864094.db2.gz NNRZSUFIOLHDAS-XHDPSFHLSA-N 0 1 373.305 4.418 20 30 FIEDMN C[C@H](c1ccc(C#N)cc1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000605316583 1115889010 /nfs/dbraw/zinc/88/90/10/1115889010.db2.gz OPSTZQPEVDYOPC-CQSZACIVSA-N 0 1 354.400 4.492 20 30 FIEDMN COc1ccc(Br)cc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032568 1115967418 /nfs/dbraw/zinc/96/74/18/1115967418.db2.gz JNIOWSKIDNMJLJ-UHFFFAOYSA-N 0 1 371.278 4.498 20 30 FIEDMN C=CCN(CCC(=O)Nc1cccc(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288175 1116041340 /nfs/dbraw/zinc/04/13/40/1116041340.db2.gz QSRQSUNFCKWMLH-UHFFFAOYSA-N 0 1 373.840 4.265 20 30 FIEDMN N#Cc1ccc(CN2CCC(N=Nc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000063358239 1116051507 /nfs/dbraw/zinc/05/15/07/1116051507.db2.gz HVBPIJUZAGSYAH-UHFFFAOYSA-N 0 1 373.382 4.036 20 30 FIEDMN N#CC(C(=O)Cc1cc(F)ccc1F)c1nc2ccccc2n1C(F)F ZINC000174000984 1116103761 /nfs/dbraw/zinc/10/37/61/1116103761.db2.gz LUIHYUNPPDEYED-LBPRGKRZSA-N 0 1 361.298 4.129 20 30 FIEDMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@H](C)Cc2ccc(C#N)cc2)[nH]1 ZINC000594245013 1116122198 /nfs/dbraw/zinc/12/21/98/1116122198.db2.gz XHZFLKDEWZLPAB-OAHLLOKOSA-N 0 1 373.460 4.284 20 30 FIEDMN N#CCOc1ccc(CNCc2ccc(Br)cc2Cl)cc1 ZINC000174357612 1116132458 /nfs/dbraw/zinc/13/24/58/1116132458.db2.gz RQZNBJBENCQXFF-UHFFFAOYSA-N 0 1 365.658 4.295 20 30 FIEDMN CCc1ccc([C@@H](NCc2cccc(C(=O)OC)c2C#N)C(C)C)cc1 ZINC000534468605 1116205224 /nfs/dbraw/zinc/20/52/24/1116205224.db2.gz DMESGWLFAHVUHO-NRFANRHFSA-N 0 1 350.462 4.394 20 30 FIEDMN C=C[C@H](CC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccccc1 ZINC000534655812 1116223101 /nfs/dbraw/zinc/22/31/01/1116223101.db2.gz YNNYAKYSTZTRSW-UZLBHIALSA-N 0 1 356.897 4.419 20 30 FIEDMN CC(C)(C)c1[nH]n(CCCOc2ccc(Cl)cc2)c(=O)c1CCC#N ZINC000535360995 1116298557 /nfs/dbraw/zinc/29/85/57/1116298557.db2.gz YBTYYEHVTGFMPF-UHFFFAOYSA-N 0 1 361.873 4.465 20 30 FIEDMN Cc1nc(C2CCCCC2)sc1C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 ZINC000540364922 1118016415 /nfs/dbraw/zinc/01/64/15/1118016415.db2.gz DXALSSBAHXSLPS-HNNXBMFYSA-N 0 1 354.479 4.396 20 30 FIEDMN Cc1nc(C2CCCCC2)sc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000540364922 1118016421 /nfs/dbraw/zinc/01/64/21/1118016421.db2.gz DXALSSBAHXSLPS-HNNXBMFYSA-N 0 1 354.479 4.396 20 30 FIEDMN CCSc1ccc([C@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000540404599 1118035358 /nfs/dbraw/zinc/03/53/58/1118035358.db2.gz QUHCLJFNOVBXCK-INIZCTEOSA-N 0 1 359.539 4.134 20 30 FIEDMN CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000443477809 1118412469 /nfs/dbraw/zinc/41/24/69/1118412469.db2.gz TWHJLSBGDBHODY-UHFFFAOYSA-N 0 1 360.417 4.036 20 30 FIEDMN COc1cc(Br)ccc1CCCN(C[C@H](C)C#N)C1CC1 ZINC000541277577 1118448782 /nfs/dbraw/zinc/44/87/82/1118448782.db2.gz HOLXLGKCFLFCAL-CYBMUJFWSA-N 0 1 351.288 4.014 20 30 FIEDMN Cc1ccnc(NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000541350225 1118483028 /nfs/dbraw/zinc/48/30/28/1118483028.db2.gz VNOXOBZDHRNXQV-RDTXWAMCSA-N 0 1 358.848 4.159 20 30 FIEDMN N#CC(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1 ZINC000464465983 1118572366 /nfs/dbraw/zinc/57/23/66/1118572366.db2.gz HGINPJORLLGBID-NSHDSACASA-N 0 1 369.686 4.152 20 30 FIEDMN CCN(CC)[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000464716190 1118662727 /nfs/dbraw/zinc/66/27/27/1118662727.db2.gz ZQWWKDCLTGNYAD-HZPDHXFCSA-N 0 1 369.431 4.143 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc([C@@H]4CCCOC4)cc3)[nH]c21 ZINC000541880815 1118686864 /nfs/dbraw/zinc/68/68/64/1118686864.db2.gz BMCGMXLNZAIREE-QZTJIDSGSA-N 0 1 359.429 4.255 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@H]3CCC[C@@H]3C2)c1C#N ZINC000464881188 1118730692 /nfs/dbraw/zinc/73/06/92/1118730692.db2.gz AFHDOPBETITKDU-QZTJIDSGSA-N 0 1 368.525 4.152 20 30 FIEDMN COc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)cc(OC)c1OC ZINC000271957233 1119033238 /nfs/dbraw/zinc/03/32/38/1119033238.db2.gz SJRZRQJBIVYKIL-QWHCGFSZSA-N 0 1 358.413 4.135 20 30 FIEDMN Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c(O[C@H]2CCOC2)c1 ZINC000271974144 1119063787 /nfs/dbraw/zinc/06/37/87/1119063787.db2.gz VECMLAMJBUXRBH-KXBFYZLASA-N 0 1 354.425 4.024 20 30 FIEDMN CCC[N@@H+](CCCSCC#N)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000174110713 1119093781 /nfs/dbraw/zinc/09/37/81/1119093781.db2.gz UBCQAPKGPSBAJB-UHFFFAOYSA-N 0 1 374.337 4.291 20 30 FIEDMN CCCN(CCCSCC#N)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000174110713 1119093786 /nfs/dbraw/zinc/09/37/86/1119093786.db2.gz UBCQAPKGPSBAJB-UHFFFAOYSA-N 0 1 374.337 4.291 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)n1 ZINC000613286808 1119118772 /nfs/dbraw/zinc/11/87/72/1119118772.db2.gz UZTNJJXKXXBHTJ-RHSMWYFYSA-N 0 1 363.442 4.477 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)n1 ZINC000613286808 1119118773 /nfs/dbraw/zinc/11/87/73/1119118773.db2.gz UZTNJJXKXXBHTJ-RHSMWYFYSA-N 0 1 363.442 4.477 20 30 FIEDMN CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCc2ccccc21 ZINC000174815277 1119153747 /nfs/dbraw/zinc/15/37/47/1119153747.db2.gz YDUWQRDSFDUMMJ-NRFANRHFSA-N 0 1 357.457 4.357 20 30 FIEDMN Cc1cc(CN[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)ccc1C#N ZINC000443993982 1119172551 /nfs/dbraw/zinc/17/25/51/1119172551.db2.gz NWMFWKUQIRUYKS-KRWDZBQOSA-N 0 1 374.271 4.069 20 30 FIEDMN CCS[C@@H]1CC[C@H](N(C)Cc2cc(C#N)ccc2Br)C1 ZINC000492765802 1119182861 /nfs/dbraw/zinc/18/28/61/1119182861.db2.gz FERYVJGKFDTMJS-LSDHHAIUSA-N 0 1 353.329 4.427 20 30 FIEDMN CCS[C@H]1CC[C@H](N(C)Cc2cc(C#N)ccc2Br)C1 ZINC000492765800 1119183008 /nfs/dbraw/zinc/18/30/08/1119183008.db2.gz FERYVJGKFDTMJS-GJZGRUSLSA-N 0 1 353.329 4.427 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cnn(Cc3ccccc3)c2)n1 ZINC000177752551 1119349544 /nfs/dbraw/zinc/34/95/44/1119349544.db2.gz WAVZLUQQHGQQRH-MRXNPFEDSA-N 0 1 350.447 4.001 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)n1 ZINC000177772895 1119350435 /nfs/dbraw/zinc/35/04/35/1119350435.db2.gz BUSZRARJRTZJES-APHBMKBZSA-N 0 1 367.474 4.351 20 30 FIEDMN N#Cc1ccc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)c(F)c1 ZINC000493237778 1119380546 /nfs/dbraw/zinc/38/05/46/1119380546.db2.gz NKNFVJXEXBEYDF-UHFFFAOYSA-N 0 1 366.826 4.366 20 30 FIEDMN Cc1ccc2nc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)[nH]c2c1 ZINC000006908911 1119462265 /nfs/dbraw/zinc/46/22/65/1119462265.db2.gz MVBSSOKYTJCYGM-HNNXBMFYSA-N 0 1 364.474 4.299 20 30 FIEDMN C=CCC(C)(C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493921282 1119514522 /nfs/dbraw/zinc/51/45/22/1119514522.db2.gz WHTFHLAQANVWQW-RHSMWYFYSA-N 0 1 352.881 4.190 20 30 FIEDMN C=CC[C@H](C)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000494028825 1119527745 /nfs/dbraw/zinc/52/77/45/1119527745.db2.gz NGZXPTFJWXTUIV-DJJJIMSYSA-N 0 1 365.445 4.012 20 30 FIEDMN COCC[N@@H+](CCCC(C)(C)C#N)Cc1cc(Br)cs1 ZINC000494099933 1119536642 /nfs/dbraw/zinc/53/66/42/1119536642.db2.gz USXWDJGOEWSZSL-UHFFFAOYSA-N 0 1 359.333 4.289 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(c2ccsc2)CC1 ZINC000186946910 1119758351 /nfs/dbraw/zinc/75/83/51/1119758351.db2.gz IRGVDVFOEFHSBV-KRWDZBQOSA-N 0 1 367.518 4.263 20 30 FIEDMN COc1cc(Br)ccc1[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000192217745 1120043248 /nfs/dbraw/zinc/04/32/48/1120043248.db2.gz XDEJQHREOPFPTQ-LLVKDONJSA-N 0 1 363.230 4.319 20 30 FIEDMN Cn1cc(Cl)cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000193775230 1120192026 /nfs/dbraw/zinc/19/20/26/1120192026.db2.gz ZRUSLVZRBSFMGA-JTQLQIEISA-N 0 1 350.230 4.432 20 30 FIEDMN Cn1cc(Cl)cc1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000193775230 1120192031 /nfs/dbraw/zinc/19/20/31/1120192031.db2.gz ZRUSLVZRBSFMGA-JTQLQIEISA-N 0 1 350.230 4.432 20 30 FIEDMN Cc1nc(CN=Nc2nc(C(F)(F)F)nc3ccccc32)c2ccccn12 ZINC000914599718 1120407069 /nfs/dbraw/zinc/40/70/69/1120407069.db2.gz KYXJRLJWHDEZAP-UHFFFAOYSA-N 0 1 370.338 4.051 20 30 FIEDMN CN(Cc1ccc(C#N)cc1)Cn1c2ccccc2nc1SC(F)F ZINC000914783182 1120533516 /nfs/dbraw/zinc/53/35/16/1120533516.db2.gz LFFDTMRJTZLOQS-UHFFFAOYSA-N 0 1 358.417 4.312 20 30 FIEDMN Cc1ccc2nc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)ccc2c1 ZINC000495298358 1120642967 /nfs/dbraw/zinc/64/29/67/1120642967.db2.gz ADWUAADTZXLLSY-AWEZNQCLSA-N 0 1 355.319 4.447 20 30 FIEDMN Cc1ccc2nc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)ccc2c1 ZINC000495298358 1120642969 /nfs/dbraw/zinc/64/29/69/1120642969.db2.gz ADWUAADTZXLLSY-AWEZNQCLSA-N 0 1 355.319 4.447 20 30 FIEDMN Oc1c(Cl)cc(Cl)cc1/C=N\Cc1cnn(CC(F)(F)F)c1 ZINC000763098021 1121114931 /nfs/dbraw/zinc/11/49/31/1121114931.db2.gz TUHFHENBCPGUEZ-IPKBDRFQSA-N 0 1 352.143 4.077 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3cc(C#N)ccc3F)[nH]c2c1 ZINC000888354808 1121172280 /nfs/dbraw/zinc/17/22/80/1121172280.db2.gz DLXHRFPARSMHFV-GOSISDBHSA-N 0 1 363.396 4.251 20 30 FIEDMN COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000915918741 1121349028 /nfs/dbraw/zinc/34/90/28/1121349028.db2.gz JIAQNFWWYDJEAL-UHFFFAOYSA-N 0 1 374.160 4.318 20 30 FIEDMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OC(C)C ZINC000915918751 1121349186 /nfs/dbraw/zinc/34/91/86/1121349186.db2.gz KILPKELJTLMBPT-UHFFFAOYSA-N 0 1 353.344 4.342 20 30 FIEDMN Cc1cc(O)cc2c1C(=O)C(=NN=c1cc(C)c3cc(Cl)ccc3[nH]1)O2 ZINC000915955446 1121353576 /nfs/dbraw/zinc/35/35/76/1121353576.db2.gz DUQNAPVUFCSYPO-UHFFFAOYSA-N 0 1 367.792 4.211 20 30 FIEDMN CCCOc1c(C=NNc2nc3ccccc3n2C)cccc1OCC ZINC000915971073 1121358219 /nfs/dbraw/zinc/35/82/19/1121358219.db2.gz BUZLGKORJWIMKF-UHFFFAOYSA-N 0 1 352.438 4.207 20 30 FIEDMN CC(N=Nc1nc2ccccc2n1C)c1ccc(F)c(Br)c1 ZINC000915971143 1121358501 /nfs/dbraw/zinc/35/85/01/1121358501.db2.gz GFMDNPSMHLVVOB-UHFFFAOYSA-N 0 1 361.218 4.311 20 30 FIEDMN CC(=NN=c1[nH]c2ccccc2n1C)c1ccc(F)c(Br)c1 ZINC000915971143 1121358508 /nfs/dbraw/zinc/35/85/08/1121358508.db2.gz GFMDNPSMHLVVOB-UHFFFAOYSA-N 0 1 361.218 4.311 20 30 FIEDMN CC[NH+](CC)Cc1cc(C(C)=NNCc2cc(F)ccc2F)ccc1[O-] ZINC000915978423 1121360570 /nfs/dbraw/zinc/36/05/70/1121360570.db2.gz FYJWXQIRXPHIJT-UHFFFAOYSA-N 0 1 361.436 4.026 20 30 FIEDMN FC(F)(F)c1ccc([N-][NH+]=Cc2c(Cl)cccc2N2CCCC2)nn1 ZINC000763369326 1121490642 /nfs/dbraw/zinc/49/06/42/1121490642.db2.gz FSXSOCZTNXWUNZ-UHFFFAOYSA-N 0 1 369.778 4.195 20 30 FIEDMN C(=N[N-]c1[nH]c2ccccc2[nH+]1)c1c(-c2ccccc2)nc2sccn12 ZINC000916655914 1121597482 /nfs/dbraw/zinc/59/74/82/1121597482.db2.gz WPENVJRJWUTQRX-UHFFFAOYSA-N 0 1 358.430 4.385 20 30 FIEDMN CC(C)(CCC#N)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000123694144 1121624428 /nfs/dbraw/zinc/62/44/28/1121624428.db2.gz QQYRDZGVQZZWPQ-UHFFFAOYSA-N 0 1 368.550 4.258 20 30 FIEDMN CCCCC1CCC(C(=O)C(C#N)C(=O)Nc2cccc(OC)c2)CC1 ZINC000916889099 1121911262 /nfs/dbraw/zinc/91/12/62/1121911262.db2.gz BKSAJCUNJJNMMO-RJYAGPCLSA-N 0 1 356.466 4.339 20 30 FIEDMN C[C@@H](N[C@H](C)c1cccc(Cl)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000126217875 1121937269 /nfs/dbraw/zinc/93/72/69/1121937269.db2.gz GHLGUAFXEAHPOC-HUUCEWRRSA-N 0 1 373.859 4.465 20 30 FIEDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1F ZINC000126655026 1121974009 /nfs/dbraw/zinc/97/40/09/1121974009.db2.gz WDIZZNNWYLUMIP-CVEARBPZSA-N 0 1 371.431 4.259 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CC2(Cl)Cl)cc1 ZINC000131553231 1122030731 /nfs/dbraw/zinc/03/07/31/1122030731.db2.gz UEYNBRBDSOYYEN-GDLCADMTSA-N 0 1 353.249 4.041 20 30 FIEDMN COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544945 1122072467 /nfs/dbraw/zinc/07/24/67/1122072467.db2.gz HDQBAIGTQWKRSW-QGZVFWFLSA-N 0 1 359.410 4.180 20 30 FIEDMN COc1cccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544945 1122072476 /nfs/dbraw/zinc/07/24/76/1122072476.db2.gz HDQBAIGTQWKRSW-QGZVFWFLSA-N 0 1 359.410 4.180 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cccc(OC)c3)n2)cc1 ZINC000066544030 1122072936 /nfs/dbraw/zinc/07/29/36/1122072936.db2.gz STWMDIXWAJBCTD-KRWDZBQOSA-N 0 1 364.426 4.317 20 30 FIEDMN N#Cc1ccccc1-c1ccc(CNCc2cccc3c2OCCO3)cc1 ZINC000091068200 1122121185 /nfs/dbraw/zinc/12/11/85/1122121185.db2.gz NBRVSIBIYUFEOI-UHFFFAOYSA-N 0 1 356.425 4.286 20 30 FIEDMN COc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1Cl ZINC000497360542 1122146923 /nfs/dbraw/zinc/14/69/23/1122146923.db2.gz DMHRQQQXPRBGCO-CYBMUJFWSA-N 0 1 369.833 4.357 20 30 FIEDMN CO[C@H](C(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CC1 ZINC000796649879 1122178065 /nfs/dbraw/zinc/17/80/65/1122178065.db2.gz KDJJNZKQFLFORR-RCHNIPSMSA-N 0 1 370.518 4.212 20 30 FIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1ccc(-n2cccn2)cc1 ZINC000917146211 1122204363 /nfs/dbraw/zinc/20/43/63/1122204363.db2.gz VPALRMFDXVVJCN-JLHYYAGUSA-N 0 1 354.413 4.467 20 30 FIEDMN O=[N+]([O-])c1ccccc1CN=Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000917212827 1122233463 /nfs/dbraw/zinc/23/34/63/1122233463.db2.gz PNNMIBHXSDSBNN-UHFFFAOYSA-N 0 1 361.283 4.003 20 30 FIEDMN CC(C)Oc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000056156993 1122296023 /nfs/dbraw/zinc/29/60/23/1122296023.db2.gz ZVQBPOLVNZTEIP-HZPDHXFCSA-N 0 1 351.450 4.023 20 30 FIEDMN CCCN(CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000107700659 1122314812 /nfs/dbraw/zinc/31/48/12/1122314812.db2.gz PUTKQNINHKEAIG-MRXNPFEDSA-N 0 1 369.896 4.301 20 30 FIEDMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNc1nc2ccccc2[nH]1 ZINC000917534650 1122351386 /nfs/dbraw/zinc/35/13/86/1122351386.db2.gz WIKKMYDUQDQRNB-UHFFFAOYSA-N 0 1 364.840 4.465 20 30 FIEDMN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNc1ncccc1Cl ZINC000917548636 1122357035 /nfs/dbraw/zinc/35/70/35/1122357035.db2.gz CSTZAAQYFCMPPI-UHFFFAOYSA-N 0 1 364.211 4.468 20 30 FIEDMN Cc1cc(N=NCc2ccc(S(C)(=O)=O)cc2)nc2ccc(Cl)cc12 ZINC000918153530 1122576032 /nfs/dbraw/zinc/57/60/32/1122576032.db2.gz ZAQLUQIBPBTGAE-UHFFFAOYSA-N 0 1 373.865 4.046 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CN[C@H]2CCc3c2cc(F)cc3F)ccc1OC ZINC000154691706 1122610844 /nfs/dbraw/zinc/61/08/44/1122610844.db2.gz LWKRKXITYHCNLZ-KXBFYZLASA-N 0 1 372.415 4.431 20 30 FIEDMN C=CCOc1ccc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)cc1Cl ZINC000556057639 1122627256 /nfs/dbraw/zinc/62/72/56/1122627256.db2.gz NJARCNJAVOKTRQ-IBGZPJMESA-N 0 1 372.896 4.214 20 30 FIEDMN Cc1nn(-c2ccc(Cl)cc2)cc1CNC1(c2cccc(C#N)c2)CC1 ZINC000556403173 1122873065 /nfs/dbraw/zinc/87/30/65/1122873065.db2.gz BRYWONNZNSFCNY-UHFFFAOYSA-N 0 1 362.864 4.485 20 30 FIEDMN CC(C)[C@@](C)(C#N)NC(=O)CN([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000072037637 1122970734 /nfs/dbraw/zinc/97/07/34/1122970734.db2.gz JAQFJPUIARPTIJ-GAJHUEQPSA-N 0 1 363.505 4.420 20 30 FIEDMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1cccc(OCCCC#N)c1 ZINC000131158172 1122993674 /nfs/dbraw/zinc/99/36/74/1122993674.db2.gz YKUSCCRLYMHPDP-INIZCTEOSA-N 0 1 354.498 4.480 20 30 FIEDMN COc1ccc(C[C@@H](NC[C@@H](C#N)CCC#N)c2ccc(OC)cc2)cc1 ZINC000556706411 1123048655 /nfs/dbraw/zinc/04/86/55/1123048655.db2.gz UYHYCOXEQIXDQM-XMSQKQJNSA-N 0 1 363.461 4.021 20 30 FIEDMN CCOCCOc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000499192846 1123313844 /nfs/dbraw/zinc/31/38/44/1123313844.db2.gz SRBDRZDYCNQGQN-HNNXBMFYSA-N 0 1 366.442 4.202 20 30 FIEDMN CCOCCOc1ccccc1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000499192846 1123313849 /nfs/dbraw/zinc/31/38/49/1123313849.db2.gz SRBDRZDYCNQGQN-HNNXBMFYSA-N 0 1 366.442 4.202 20 30 FIEDMN CCCOc1ccc2c(c1)C(N=Nc1ccc(C(F)(F)F)cn1)CCO2 ZINC000920363140 1123447087 /nfs/dbraw/zinc/44/70/87/1123447087.db2.gz SDQQQLIOQQVABM-UHFFFAOYSA-N 0 1 365.355 4.488 20 30 FIEDMN CC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000920478253 1123466967 /nfs/dbraw/zinc/46/69/67/1123466967.db2.gz HZCWZSIITKIBFT-UHFFFAOYSA-N 0 1 353.300 4.372 20 30 FIEDMN C#CCOc1ccccc1CN[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000920956487 1123541437 /nfs/dbraw/zinc/54/14/37/1123541437.db2.gz FAPNLBJAMCSICO-KRWDZBQOSA-N 0 1 353.462 4.347 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000609382876 1123697958 /nfs/dbraw/zinc/69/79/58/1123697958.db2.gz VSLSMODABCIMSM-GFCCVEGCSA-N 0 1 352.419 4.174 20 30 FIEDMN C[C@@H](OCC1CC1)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000064682085 1123917183 /nfs/dbraw/zinc/91/71/83/1123917183.db2.gz ZQSIDRLTVARXEH-IAQYHMDHSA-N 0 1 360.866 4.455 20 30 FIEDMN COCCn1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)c2ccccc21 ZINC000080450155 1123965614 /nfs/dbraw/zinc/96/56/14/1123965614.db2.gz CCDOUJUQBIYUBN-HNNXBMFYSA-N 0 1 367.474 4.358 20 30 FIEDMN CC(C)NC(=O)Nc1ccccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080455432 1123966284 /nfs/dbraw/zinc/96/62/84/1123966284.db2.gz ZZBFFGYBHFGNGL-CQSZACIVSA-N 0 1 370.478 4.286 20 30 FIEDMN CC(C)C(=O)Nc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080452792 1123966411 /nfs/dbraw/zinc/96/64/11/1123966411.db2.gz JIARMGSUABLTBP-HNNXBMFYSA-N 0 1 355.463 4.351 20 30 FIEDMN CC(C)C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1 ZINC000080452792 1123966414 /nfs/dbraw/zinc/96/64/14/1123966414.db2.gz JIARMGSUABLTBP-HNNXBMFYSA-N 0 1 355.463 4.351 20 30 FIEDMN CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000195732883 1124023480 /nfs/dbraw/zinc/02/34/80/1124023480.db2.gz SSFNXOPLBCDIDD-KSSFIOAISA-N 0 1 369.431 4.143 20 30 FIEDMN C#CCOc1ccc(CN[C@@H](Cc2ccc(C)cc2)c2ccccn2)cc1 ZINC000237826461 1124120176 /nfs/dbraw/zinc/12/01/76/1124120176.db2.gz WNQXNUWYZMJGPT-DEOSSOPVSA-N 0 1 356.469 4.476 20 30 FIEDMN CCN(CC(=O)N[C@H](C)c1ccc(C)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000107818382 1124154863 /nfs/dbraw/zinc/15/48/63/1124154863.db2.gz BKQWCFZDJMETBZ-MOPGFXCFSA-N 0 1 363.505 4.435 20 30 FIEDMN N#Cc1ccc(C(F)(F)F)nc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000301290833 1124211522 /nfs/dbraw/zinc/21/15/22/1124211522.db2.gz NRDIIQYVKVHDSF-AWEZNQCLSA-N 0 1 364.371 4.204 20 30 FIEDMN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C(F)(F)c1ccccc1F ZINC000765851951 1124224899 /nfs/dbraw/zinc/22/48/99/1124224899.db2.gz IWOHOISJOIYLRQ-UHFFFAOYSA-N 0 1 371.280 4.104 20 30 FIEDMN Cc1nc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)ccc1C#N ZINC000108170384 1124252180 /nfs/dbraw/zinc/25/21/80/1124252180.db2.gz CCAQIABCTQSSSR-UHFFFAOYSA-N 0 1 371.375 4.196 20 30 FIEDMN CN(C)Cc1ccc(CNc2ccc(Br)cc2C#N)cc1F ZINC000302075978 1124281916 /nfs/dbraw/zinc/28/19/16/1124281916.db2.gz JBHTUNOQWMIOPI-UHFFFAOYSA-N 0 1 362.246 4.134 20 30 FIEDMN CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000302096304 1124283910 /nfs/dbraw/zinc/28/39/10/1124283910.db2.gz JFMWMCSMXHEZCV-INIZCTEOSA-N 0 1 353.491 4.146 20 30 FIEDMN CN1CC[C@@H](Nc2ccc3cc(C#N)ccc3n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302829944 1124356919 /nfs/dbraw/zinc/35/69/19/1124356919.db2.gz PRJMPDLTMFBNAW-CTNGQTDRSA-N 0 1 364.399 4.242 20 30 FIEDMN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000763486022 1124501747 /nfs/dbraw/zinc/50/17/47/1124501747.db2.gz JTBBZBKNTUOQTQ-AWEZNQCLSA-N 0 1 355.438 4.027 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2cc(OC(F)F)cc(OC(F)F)c2)n1 ZINC000181011932 1124510739 /nfs/dbraw/zinc/51/07/39/1124510739.db2.gz ZMGRUGFKFXLPFN-NSHDSACASA-N 0 1 374.315 4.144 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(OC(F)F)cc(OC(F)F)c2)n1 ZINC000181011932 1124510745 /nfs/dbraw/zinc/51/07/45/1124510745.db2.gz ZMGRUGFKFXLPFN-NSHDSACASA-N 0 1 374.315 4.144 20 30 FIEDMN C=C(C)COc1cccc(NS(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000542934703 1124904791 /nfs/dbraw/zinc/90/47/91/1124904791.db2.gz RGKGAMNEBMSMTK-UHFFFAOYSA-N 0 1 370.430 4.097 20 30 FIEDMN N#Cc1ccc(CNCc2ccnc(N3CCCCC3)c2)c(C(F)(F)F)c1 ZINC000554969730 1125084026 /nfs/dbraw/zinc/08/40/26/1125084026.db2.gz UCIGRJBANDJQSQ-UHFFFAOYSA-N 0 1 374.410 4.252 20 30 FIEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000785459996 1125145117 /nfs/dbraw/zinc/14/51/17/1125145117.db2.gz GOMMOLQOJBIJCV-IPELMVKDSA-N 0 1 355.482 4.093 20 30 FIEDMN Cc1nc2c(cccc2C(=O)C(C#N)c2nc3ccccc3n2C(F)F)o1 ZINC000672581872 1125188649 /nfs/dbraw/zinc/18/86/49/1125188649.db2.gz MBBNKAYSRZGNMG-GFCCVEGCSA-N 0 1 366.327 4.371 20 30 FIEDMN Cc1nc2c(cccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)o1 ZINC000672581872 1125188655 /nfs/dbraw/zinc/18/86/55/1125188655.db2.gz MBBNKAYSRZGNMG-GFCCVEGCSA-N 0 1 366.327 4.371 20 30 FIEDMN FC(F)(F)COCCCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618752039 1125265486 /nfs/dbraw/zinc/26/54/86/1125265486.db2.gz XPBYHVXPIMKJOJ-IUCAKERBSA-N 0 1 361.248 4.018 20 30 FIEDMN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)C1=O ZINC000499602111 1125275954 /nfs/dbraw/zinc/27/59/54/1125275954.db2.gz JMVRKXUXHKQGFV-HNAYVOBHSA-N 0 1 354.425 4.056 20 30 FIEDMN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1nc2ccc(Cl)cc2n1C ZINC000618806798 1125285417 /nfs/dbraw/zinc/28/54/17/1125285417.db2.gz RVPZWYMLPCEBFD-PXAZEXFGSA-N 0 1 350.853 4.436 20 30 FIEDMN N#Cc1ccccc1CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000113940117 1125309048 /nfs/dbraw/zinc/30/90/48/1125309048.db2.gz JWMCGPBZQURXOG-UHFFFAOYSA-N 0 1 371.843 4.201 20 30 FIEDMN Cc1ncc([C@H](C)N[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000601937319 567880751 /nfs/dbraw/zinc/88/07/51/567880751.db2.gz WPWWGXUBYWULOU-HOTGVXAUSA-N 0 1 370.522 4.054 20 30 FIEDMN Cc1ncc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000601937321 567880819 /nfs/dbraw/zinc/88/08/19/567880819.db2.gz WPWWGXUBYWULOU-HZPDHXFCSA-N 0 1 370.522 4.054 20 30 FIEDMN Cc1[nH]n(-c2cc(C(F)(F)F)ccc2Br)c(=O)c1CCC#N ZINC000601944372 567882381 /nfs/dbraw/zinc/88/23/81/567882381.db2.gz GJDHCOLIRYWSCA-JTQLQIEISA-N 0 1 374.160 4.110 20 30 FIEDMN CC(C)Oc1ccc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000051534909 568066310 /nfs/dbraw/zinc/06/63/10/568066310.db2.gz MYUYGXXMAMWESI-INIZCTEOSA-N 0 1 363.442 4.482 20 30 FIEDMN N#CC(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2s1 ZINC000603846331 568157522 /nfs/dbraw/zinc/15/75/22/568157522.db2.gz PHNLFQJHVHNHDD-GFCCVEGCSA-N 0 1 357.778 4.348 20 30 FIEDMN N#C[C@H](C(=O)c1cccc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2s1 ZINC000603846331 568157523 /nfs/dbraw/zinc/15/75/23/568157523.db2.gz PHNLFQJHVHNHDD-GFCCVEGCSA-N 0 1 357.778 4.348 20 30 FIEDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000481931125 568189887 /nfs/dbraw/zinc/18/98/87/568189887.db2.gz YOBYLZBTVVHXLK-IBGZPJMESA-N 0 1 351.406 4.032 20 30 FIEDMN N#Cc1ccc(CN2CCC(CO)(c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000568894946 568247695 /nfs/dbraw/zinc/24/76/95/568247695.db2.gz NSZDRPXEJWTOFL-UHFFFAOYSA-N 0 1 374.406 4.103 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(CC(C)C)cc2)n1 ZINC000604432298 568286271 /nfs/dbraw/zinc/28/62/71/568286271.db2.gz AWAYWQXVFSRUHS-OAHLLOKOSA-N 0 1 356.447 4.008 20 30 FIEDMN N#Cc1ccc(NC[C@H](c2ccccc2Cl)N2CCCC2)c([N+](=O)[O-])c1 ZINC000032534055 568393920 /nfs/dbraw/zinc/39/39/20/568393920.db2.gz KHFQCYXGIPYMGL-LJQANCHMSA-N 0 1 370.840 4.369 20 30 FIEDMN N#CC(C(=O)c1cccc(-n2cccn2)c1)c1nc2cc(F)ccc2s1 ZINC000604929517 568397909 /nfs/dbraw/zinc/39/79/09/568397909.db2.gz ARKFVRPMEFLGTM-OAHLLOKOSA-N 0 1 362.389 4.111 20 30 FIEDMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000570062805 568443134 /nfs/dbraw/zinc/44/31/34/568443134.db2.gz YRWYPUVMRSNIGT-UHFFFAOYSA-N 0 1 374.444 4.410 20 30 FIEDMN CC(=O)c1ccc(C#N)c(N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000570371733 568481044 /nfs/dbraw/zinc/48/10/44/568481044.db2.gz FLLJFHAKHSVCSA-GOSISDBHSA-N 0 1 358.445 4.330 20 30 FIEDMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cccc(OCCCC#N)c1 ZINC000093889157 1125536257 /nfs/dbraw/zinc/53/62/57/1125536257.db2.gz PRGOCSKGVHGVLT-WGDIFIGCSA-N 0 1 370.518 4.300 20 30 FIEDMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000763556936 1125564978 /nfs/dbraw/zinc/56/49/78/1125564978.db2.gz MGNNNBIVQFIJBC-VXKWHMMOSA-N 0 1 374.488 4.359 20 30 FIEDMN CC(=O)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 ZINC000182874193 1125659572 /nfs/dbraw/zinc/65/95/72/1125659572.db2.gz IWXGPLXBPFKOKE-AWEZNQCLSA-N 0 1 353.328 4.124 20 30 FIEDMN CC(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1 ZINC000182874193 1125659574 /nfs/dbraw/zinc/65/95/74/1125659574.db2.gz IWXGPLXBPFKOKE-AWEZNQCLSA-N 0 1 353.328 4.124 20 30 FIEDMN N#Cc1ccc(CNCc2cnn(Cc3ccccc3Cl)c2)cc1Cl ZINC000619748476 1125690664 /nfs/dbraw/zinc/69/06/64/1125690664.db2.gz GDGHATHAFQKFEO-UHFFFAOYSA-N 0 1 371.271 4.400 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2ccsc2)c1 ZINC000619746357 1125690681 /nfs/dbraw/zinc/69/06/81/1125690681.db2.gz PTYYZMMCOVRECY-IAGOWNOFSA-N 0 1 355.507 4.351 20 30 FIEDMN N#Cc1ccc(CNCc2ccccc2OCc2ccncc2)cc1Cl ZINC000619748772 1125690706 /nfs/dbraw/zinc/69/07/06/1125690706.db2.gz OERONTCYMGGXQQ-UHFFFAOYSA-N 0 1 363.848 4.475 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](C)c2ccsc2)c1C#N ZINC000619783652 1125696323 /nfs/dbraw/zinc/69/63/23/1125696323.db2.gz WHWDYYGNVSIDFB-CQSZACIVSA-N 0 1 370.522 4.443 20 30 FIEDMN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccccc2O[C@H](C)C#N)cc1 ZINC000183130431 1125754757 /nfs/dbraw/zinc/75/47/57/1125754757.db2.gz SIGPKYUCHMBVOK-LSDHHAIUSA-N 0 1 358.463 4.292 20 30 FIEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(-c4ccccc4F)o3)C2)nc1 ZINC000430188541 1079777220 /nfs/dbraw/zinc/77/72/20/1079777220.db2.gz UKBYBZXGIHYXHK-QGZVFWFLSA-N 0 1 363.392 4.006 20 30 FIEDMN Cc1nc(S[C@H](C)C(=O)Nc2ccccc2C#N)[nH]c1-c1ccccc1 ZINC000187129710 1079910356 /nfs/dbraw/zinc/91/03/56/1079910356.db2.gz RXWDBNNXRBQJJL-CQSZACIVSA-N 0 1 362.458 4.376 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cnn1CC(C)C ZINC000179424013 1080175012 /nfs/dbraw/zinc/17/50/12/1080175012.db2.gz FGUIHIVPHZIEBL-CYBMUJFWSA-N 0 1 371.391 4.082 20 30 FIEDMN CCOC(=O)C1(C#N)CCN(CCCc2ccc(Cl)c(Cl)c2)CC1 ZINC001208838541 1080177777 /nfs/dbraw/zinc/17/77/77/1080177777.db2.gz TZGDTSHFTUBTLL-UHFFFAOYSA-N 0 1 369.292 4.095 20 30 FIEDMN FC(F)(F)[C@H]1CCN(CCOCC(F)(F)C(F)(F)F)CC12CCC2 ZINC000579862970 1080186953 /nfs/dbraw/zinc/18/69/53/1080186953.db2.gz ZBXHVMIIGAVNGQ-JTQLQIEISA-N 0 1 369.296 4.255 20 30 FIEDMN COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccccc3C#N)ccc2c1 ZINC000007926743 1080921344 /nfs/dbraw/zinc/92/13/44/1080921344.db2.gz XTPHSAQNSQFONN-INIZCTEOSA-N 0 1 373.456 4.179 20 30 FIEDMN N#Cc1ccc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)s1 ZINC000176952525 1081170922 /nfs/dbraw/zinc/17/09/22/1081170922.db2.gz OCFLUMNFAIGAMC-UHFFFAOYSA-N 0 1 368.506 4.046 20 30 FIEDMN CCOc1ccc(Oc2cc(CNCc3ccc(C#N)s3)ccn2)cc1 ZINC000176951461 1081170999 /nfs/dbraw/zinc/17/09/99/1081170999.db2.gz BUPCOVSSVSWPNJ-UHFFFAOYSA-N 0 1 365.458 4.496 20 30 FIEDMN COc1ccc(Oc2cc(CNCc3ccc(C#N)s3)ccn2)cc1 ZINC000176949820 1081171055 /nfs/dbraw/zinc/17/10/55/1081171055.db2.gz DZFHSSIMLYQSIZ-UHFFFAOYSA-N 0 1 351.431 4.105 20 30 FIEDMN N#Cc1csc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c1 ZINC000177066481 1081186837 /nfs/dbraw/zinc/18/68/37/1081186837.db2.gz ANACQQSPNGJXQH-UHFFFAOYSA-N 0 1 373.909 4.011 20 30 FIEDMN Cc1cccnc1[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000118840684 1081215169 /nfs/dbraw/zinc/21/51/69/1081215169.db2.gz RRPSMKWWWXRVEE-KSSFIOAISA-N 0 1 370.884 4.229 20 30 FIEDMN COc1ccc(CCN(Cc2ccccc2)Cc2cc(C#N)ccn2)cc1 ZINC001167309992 1081269598 /nfs/dbraw/zinc/26/95/98/1081269598.db2.gz LQRHVPMTIVYDBB-UHFFFAOYSA-N 0 1 357.457 4.207 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000579992231 1081378155 /nfs/dbraw/zinc/37/81/55/1081378155.db2.gz ZCTXXVOBDRZHNW-DLBZAZTESA-N 0 1 369.534 4.065 20 30 FIEDMN C=C(C)COc1cc(CN[C@H]2c3ccc(F)cc3O[C@@H]2C)ccc1OC ZINC000580003060 1081386125 /nfs/dbraw/zinc/38/61/25/1081386125.db2.gz FANZPYGXOGMYKT-SPLOXXLWSA-N 0 1 357.425 4.401 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000610346008 1081501447 /nfs/dbraw/zinc/50/14/47/1081501447.db2.gz HGJVEEFINUNTDY-ZNMIVQPWSA-N 0 1 355.869 4.128 20 30 FIEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000610346234 1081501452 /nfs/dbraw/zinc/50/14/52/1081501452.db2.gz PUXFRAJSWVGOEH-JYJNAYRXSA-N 0 1 361.445 4.221 20 30 FIEDMN C[C@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cccc(C#N)c1 ZINC000610346111 1081501858 /nfs/dbraw/zinc/50/18/58/1081501858.db2.gz LUFDJQQKGWPVHT-UGSOOPFHSA-N 0 1 373.378 4.033 20 30 FIEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000610346330 1081502380 /nfs/dbraw/zinc/50/23/80/1081502380.db2.gz UJJAFFGOUQQNES-KBPBESRZSA-N 0 1 373.859 4.048 20 30 FIEDMN N#Cc1csc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)c1 ZINC000177688379 1081529330 /nfs/dbraw/zinc/52/93/30/1081529330.db2.gz HNNKZCFAFIORJQ-UHFFFAOYSA-N 0 1 368.506 4.046 20 30 FIEDMN CC1(C)Oc2ccsc2[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)[C@@H]1O ZINC000580048748 1081556163 /nfs/dbraw/zinc/55/61/63/1081556163.db2.gz KPDUIJLXJUXPMB-HQRMLTQVSA-N 0 1 368.502 4.250 20 30 FIEDMN N#CC1(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)CCC1 ZINC000119152633 1081988294 /nfs/dbraw/zinc/98/82/94/1081988294.db2.gz VAKHBNRDJMAWKH-UHFFFAOYSA-N 0 1 352.344 4.140 20 30 FIEDMN Cc1nc(-c2ccc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)cc2)n[nH]1 ZINC000581347052 1082482484 /nfs/dbraw/zinc/48/24/84/1082482484.db2.gz ZCHFXRRLUJSOBJ-AWEZNQCLSA-N 0 1 365.462 4.024 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN[C@@H](CO)c1ccccc1C(F)(F)F ZINC000933245894 1082530882 /nfs/dbraw/zinc/53/08/82/1082530882.db2.gz LHJUUJMKRAVVFK-SFHVURJKSA-N 0 1 362.395 4.330 20 30 FIEDMN CCOCCOc1ccccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430623378 1082741018 /nfs/dbraw/zinc/74/10/18/1082741018.db2.gz NEHNBGISYCZBBS-OAHLLOKOSA-N 0 1 372.490 4.346 20 30 FIEDMN O=C(CCC(F)F)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000684470420 1083030099 /nfs/dbraw/zinc/03/00/99/1083030099.db2.gz INZQAFDMRLVICK-UHFFFAOYSA-N 0 1 357.229 4.201 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCSC2(CCCCC2)C1 ZINC000430774438 1083165988 /nfs/dbraw/zinc/16/59/88/1083165988.db2.gz BUZNUFDMTVZDTP-SFHVURJKSA-N 0 1 371.550 4.073 20 30 FIEDMN N#CCc1cccc(C(=O)Nc2cc(Br)cc(Cl)c2O)c1 ZINC000535653726 1083250654 /nfs/dbraw/zinc/25/06/54/1083250654.db2.gz ATVFOEURNLHFRB-UHFFFAOYSA-N 0 1 365.614 4.126 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000610717116 1083353501 /nfs/dbraw/zinc/35/35/01/1083353501.db2.gz UNPRCOOGULHCTC-OALUTQOASA-N 0 1 374.488 4.161 20 30 FIEDMN COc1cc(OC2CC2)ccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647379224 1083370845 /nfs/dbraw/zinc/37/08/45/1083370845.db2.gz RFCHGQUKDCOMDE-OAHLLOKOSA-N 0 1 354.431 4.060 20 30 FIEDMN N#CC(C(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1nc(C2CC2)cs1 ZINC000647377702 1083373324 /nfs/dbraw/zinc/37/33/24/1083373324.db2.gz FHFBPFAUVVQDBW-JTQLQIEISA-N 0 1 358.373 4.324 20 30 FIEDMN C[C@H]1Oc2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2NC1=O ZINC000255692007 1083415933 /nfs/dbraw/zinc/41/59/33/1083415933.db2.gz HKTIDFOLSPRJPX-MRVPVSSYSA-N 0 1 351.189 4.169 20 30 FIEDMN Cc1cc([C@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)s1 ZINC000179374126 1083435161 /nfs/dbraw/zinc/43/51/61/1083435161.db2.gz YRXSADRDGARIES-RYUDHWBXSA-N 0 1 373.547 4.465 20 30 FIEDMN CCOc1ccccc1[C@H](CC)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000179734590 1083610680 /nfs/dbraw/zinc/61/06/80/1083610680.db2.gz GRJGYVCIZNSBCK-YJBOKZPZSA-N 0 1 351.450 4.025 20 30 FIEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000277077119 1083736372 /nfs/dbraw/zinc/73/63/72/1083736372.db2.gz RLSXPHCYBYRFEC-STQMWFEESA-N 0 1 354.458 4.002 20 30 FIEDMN C[C@@H](NCC(=O)N[C@H](C)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000548936831 1083867300 /nfs/dbraw/zinc/86/73/00/1083867300.db2.gz NXQWBWSCDDMULY-IAGOWNOFSA-N 0 1 357.457 4.239 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)c2ccccn2)c1 ZINC000181484318 1083917509 /nfs/dbraw/zinc/91/75/09/1083917509.db2.gz NQDDXNWIOGEMKV-NRFANRHFSA-N 0 1 355.441 4.204 20 30 FIEDMN N#C[C@H](C(=O)c1ccnn1-c1ccccc1)c1nc2cc(F)ccc2s1 ZINC000684631605 1083927124 /nfs/dbraw/zinc/92/71/24/1083927124.db2.gz KMPWEPHTHBARDR-CQSZACIVSA-N 0 1 362.389 4.111 20 30 FIEDMN N#CC(C(=O)c1ccnn1-c1ccccc1)c1nc2cc(F)ccc2s1 ZINC000684631605 1083927129 /nfs/dbraw/zinc/92/71/29/1083927129.db2.gz KMPWEPHTHBARDR-CQSZACIVSA-N 0 1 362.389 4.111 20 30 FIEDMN COc1ccc(CN(C)Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000612586694 1083928554 /nfs/dbraw/zinc/92/85/54/1083928554.db2.gz CKHUDDGGXQQQCB-UHFFFAOYSA-N 0 1 373.456 4.173 20 30 FIEDMN COc1ccc(CN2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1C#N ZINC000610993658 1083940544 /nfs/dbraw/zinc/94/05/44/1083940544.db2.gz ZIDXRMOTDIVFPF-UHFFFAOYSA-N 0 1 361.420 4.477 20 30 FIEDMN C=CCn1c(S[C@@H](C)c2n[nH]c(CC)n2)nnc1-c1cccc(Cl)c1 ZINC000657252500 1084072332 /nfs/dbraw/zinc/07/23/32/1084072332.db2.gz NCJAIFMTPXFRQH-NSHDSACASA-N 0 1 374.901 4.318 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)s1 ZINC000180054175 1084212833 /nfs/dbraw/zinc/21/28/33/1084212833.db2.gz IKEOHYYYIURTCD-SNVBAGLBSA-N 0 1 357.426 4.475 20 30 FIEDMN Cc1nc(C(C)C)ncc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000892538453 1084566775 /nfs/dbraw/zinc/56/67/75/1084566775.db2.gz KYYHWFYFDZXTFP-LBPRGKRZSA-N 0 1 369.375 4.143 20 30 FIEDMN Cc1nc(C(C)C)ncc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000892538453 1084566786 /nfs/dbraw/zinc/56/67/86/1084566786.db2.gz KYYHWFYFDZXTFP-LBPRGKRZSA-N 0 1 369.375 4.143 20 30 FIEDMN N#CC(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccccn1 ZINC000066506958 1084588944 /nfs/dbraw/zinc/58/89/44/1084588944.db2.gz PHWUPZSHSOOZHW-LLVKDONJSA-N 0 1 359.863 4.339 20 30 FIEDMN N#CC(C(=O)C[C@H]1CCC2(CCC2)O1)c1nc2ccccc2n1C(F)F ZINC000892539110 1084615992 /nfs/dbraw/zinc/61/59/92/1084615992.db2.gz UDRVOBQYZNPSTR-OLZOCXBDSA-N 0 1 359.376 4.099 20 30 FIEDMN CCN(Cc1cc(OC)c(OC)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000119866494 1084673007 /nfs/dbraw/zinc/67/30/07/1084673007.db2.gz LWURGTDULAMARI-OAHLLOKOSA-N 0 1 354.450 4.167 20 30 FIEDMN CN(Cc1ccc(OCC(F)(F)F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000511083230 1084707510 /nfs/dbraw/zinc/70/75/10/1084707510.db2.gz XYWXUOVHSGWCHJ-UHFFFAOYSA-N 0 1 352.331 4.270 20 30 FIEDMN C#CCN(CC)C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001167576540 1085036237 /nfs/dbraw/zinc/03/62/37/1085036237.db2.gz OFGLXTLRKACFTN-LJQANCHMSA-N 0 1 358.279 4.105 20 30 FIEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 ZINC000479498573 1085181739 /nfs/dbraw/zinc/18/17/39/1085181739.db2.gz NBBZLSJZJJAEKG-UHFFFAOYSA-N 0 1 357.822 4.008 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000023967225 1085228638 /nfs/dbraw/zinc/22/86/38/1085228638.db2.gz QFSJZEJDLUKEFD-GFCCVEGCSA-N 0 1 364.902 4.030 20 30 FIEDMN COc1ccc(NC(C)=O)cc1N=Cc1cc(Cl)cc(Cl)c1O ZINC000255522326 1085403459 /nfs/dbraw/zinc/40/34/59/1085403459.db2.gz RZLBQOPVDZMEPL-UHFFFAOYSA-N 0 1 353.205 4.417 20 30 FIEDMN Cc1cnn(-c2ccc(C(=O)C(C#N)c3nc4ccccc4s3)cc2)c1 ZINC000048824717 1085707324 /nfs/dbraw/zinc/70/73/24/1085707324.db2.gz TWCFWLGNBGRLRS-INIZCTEOSA-N 0 1 358.426 4.281 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2CCC(OC)CC2)cc1 ZINC000136679135 1085916862 /nfs/dbraw/zinc/91/68/62/1085916862.db2.gz SNVMLWJEJQASBW-AZNSAFFESA-N 0 1 370.493 4.443 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2CCC(OC)CC2)cc1 ZINC000136679176 1085917205 /nfs/dbraw/zinc/91/72/05/1085917205.db2.gz SNVMLWJEJQASBW-GFBXMDILSA-N 0 1 370.493 4.443 20 30 FIEDMN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ccccn3)c12 ZINC000049459022 1086025256 /nfs/dbraw/zinc/02/52/56/1086025256.db2.gz HZCRRYVZBJDGSF-MRXNPFEDSA-N 0 1 373.460 4.257 20 30 FIEDMN C=CCCCCCN(C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000153711204 1086066800 /nfs/dbraw/zinc/06/68/00/1086066800.db2.gz DIMRVOVVQJKKGO-UHFFFAOYSA-N 0 1 361.505 4.178 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H](C)CC2(C)C)c1C#N ZINC000472278550 1086072594 /nfs/dbraw/zinc/07/25/94/1086072594.db2.gz QSCSQPKWQVORBS-AWEZNQCLSA-N 0 1 356.514 4.151 20 30 FIEDMN CC[C@@](C)(OC)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000796648414 1086446179 /nfs/dbraw/zinc/44/61/79/1086446179.db2.gz BGOAWGQBQFOGJX-ZUZCIYMTSA-N 0 1 356.369 4.306 20 30 FIEDMN N#Cc1ccc2c(c1)N(C(=O)c1cccc3nc(-c4cccs4)[nH]c31)CC2 ZINC000583293076 1086535432 /nfs/dbraw/zinc/53/54/32/1086535432.db2.gz RADAKGWPWWZLNQ-UHFFFAOYSA-N 0 1 370.437 4.366 20 30 FIEDMN C=CCN(Cc1cccc(C#N)c1)Cc1ccc(OC)c(COCC)c1 ZINC000512037009 1086680328 /nfs/dbraw/zinc/68/03/28/1086680328.db2.gz CYSGWQHNJBSLCM-UHFFFAOYSA-N 0 1 350.462 4.292 20 30 FIEDMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2c(C)[nH]c3ccccc32)n1 ZINC000052779003 1087152028 /nfs/dbraw/zinc/15/20/28/1087152028.db2.gz MXTSAIVRISJYPX-UHFFFAOYSA-N 0 1 361.405 4.101 20 30 FIEDMN CC(=Cc1ccc(SC(F)(F)F)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000588611108 1087466113 /nfs/dbraw/zinc/46/61/13/1087466113.db2.gz MYFDAJZNEAXLTP-VQHVLOKHSA-N 0 1 351.353 4.122 20 30 FIEDMN N#Cc1ccc(CCNc2nccc3c2CCN(Cc2ccccc2)C3)cc1 ZINC001167677077 1087521229 /nfs/dbraw/zinc/52/12/29/1087521229.db2.gz QQEIALBTIKEVTI-UHFFFAOYSA-N 0 1 368.484 4.166 20 30 FIEDMN C[C@@H](CN(C)Cc1ccc(C#N)cc1Br)c1nccs1 ZINC000183979266 1087811807 /nfs/dbraw/zinc/81/18/07/1087811807.db2.gz OHBPCEDXDLIOIC-NSHDSACASA-N 0 1 350.285 4.013 20 30 FIEDMN N#Cc1ccccc1OCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180579180 1087966267 /nfs/dbraw/zinc/96/62/67/1087966267.db2.gz IGJKKNIYDKXLIR-INIZCTEOSA-N 0 1 352.331 4.359 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CNCc2cnc(CC(C)C)s2)ccc1OC ZINC000162601640 1087967882 /nfs/dbraw/zinc/96/78/82/1087967882.db2.gz VWZWLAAGOSHTCZ-MRXNPFEDSA-N 0 1 373.522 4.321 20 30 FIEDMN C=CCC(C)(C)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000431829429 1088168371 /nfs/dbraw/zinc/16/83/71/1088168371.db2.gz WTRYASFCARFYLE-UHFFFAOYSA-N 0 1 357.498 4.042 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccccc1C#N ZINC000181279666 1088296877 /nfs/dbraw/zinc/29/68/77/1088296877.db2.gz JWUDUKAHJZZGRL-IAGOWNOFSA-N 0 1 370.456 4.298 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](C)c2ccc(-c3cccnc3)cc2)c(C#N)c1C ZINC000181295943 1088299050 /nfs/dbraw/zinc/29/90/50/1088299050.db2.gz CKRACDAOKSFXDQ-OAHLLOKOSA-N 0 1 374.444 4.119 20 30 FIEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000181300638 1088299509 /nfs/dbraw/zinc/29/95/09/1088299509.db2.gz DWHSJLUNZUMDDE-RYUDHWBXSA-N 0 1 350.388 4.346 20 30 FIEDMN COc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188959145 1088357045 /nfs/dbraw/zinc/35/70/45/1088357045.db2.gz QLSBONVAAUPRGX-UHFFFAOYSA-N 0 1 360.369 4.317 20 30 FIEDMN CC(C)C[C@H](N)c1noc(-c2cccc(COc3ccccc3C#N)c2)n1 ZINC000414617782 1088903028 /nfs/dbraw/zinc/90/30/28/1088903028.db2.gz LYAUHNVTRPIVKY-SFHVURJKSA-N 0 1 362.433 4.233 20 30 FIEDMN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCc2ccccc21 ZINC000434841814 1089068840 /nfs/dbraw/zinc/06/88/40/1089068840.db2.gz ZWFNQSKFWIXGCV-IBGZPJMESA-N 0 1 351.450 4.106 20 30 FIEDMN Cc1cc(CNCc2ccc(C#N)cc2C(F)(F)F)cc(N2CCCC2)n1 ZINC000514761553 1089446460 /nfs/dbraw/zinc/44/64/60/1089446460.db2.gz LXHHMWFXRIJEFZ-UHFFFAOYSA-N 0 1 374.410 4.171 20 30 FIEDMN CCN(CC)[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)c1ccccc1 ZINC000505637800 1089460512 /nfs/dbraw/zinc/46/05/12/1089460512.db2.gz SDWCUSLHBQSBKW-RBUKOAKNSA-N 0 1 355.869 4.104 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cc(C#N)oc3C)n2)cc1 ZINC000435775573 1089930332 /nfs/dbraw/zinc/93/03/32/1089930332.db2.gz DAPKSKOQLPEWCY-INIZCTEOSA-N 0 1 363.398 4.082 20 30 FIEDMN C=CCOc1ccc(CN[C@H](C[S@](C)=O)c2ccccc2)cc1Cl ZINC000182095237 1090049254 /nfs/dbraw/zinc/04/92/54/1090049254.db2.gz ROZPBYZOYCFEAY-KOSHJBKYSA-N 0 1 363.910 4.114 20 30 FIEDMN CN(C)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000549410525 1090271664 /nfs/dbraw/zinc/27/16/64/1090271664.db2.gz FZQWHOXZKOTLON-SFHVURJKSA-N 0 1 372.453 4.238 20 30 FIEDMN CN(C)c1cccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000549410525 1090271671 /nfs/dbraw/zinc/27/16/71/1090271671.db2.gz FZQWHOXZKOTLON-SFHVURJKSA-N 0 1 372.453 4.238 20 30 FIEDMN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)c(Cl)c1OC ZINC000418150051 1091083579 /nfs/dbraw/zinc/08/35/79/1091083579.db2.gz VUKTYBQZQWEQPP-KRWDZBQOSA-N 0 1 356.853 4.396 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000123183338 1091112082 /nfs/dbraw/zinc/11/20/82/1091112082.db2.gz JXNBEZVJTANZFP-OAHLLOKOSA-N 0 1 351.837 4.381 20 30 FIEDMN N#CC(C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1CC12CCC2 ZINC000759835661 1091276449 /nfs/dbraw/zinc/27/64/49/1091276449.db2.gz SPYQXIIILGQNHF-DLBZAZTESA-N 0 1 360.413 4.316 20 30 FIEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@]2(CC=CCC2)C1 ZINC000512208873 1091911546 /nfs/dbraw/zinc/91/15/46/1091911546.db2.gz IOBRANWZDMXUKC-QVKFZJNVSA-N 0 1 369.534 4.258 20 30 FIEDMN C[C@@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000624045491 1091958423 /nfs/dbraw/zinc/95/84/23/1091958423.db2.gz JNZRVOXGYURTER-RNCFNFMXSA-N 0 1 369.284 4.495 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000508280707 1092207666 /nfs/dbraw/zinc/20/76/66/1092207666.db2.gz UYASJTQJPACZII-UHFFFAOYSA-N 0 1 366.490 4.374 20 30 FIEDMN Cc1cc(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)c(C)s1 ZINC000500601265 1092272479 /nfs/dbraw/zinc/27/24/79/1092272479.db2.gz LCKLMMBLKFWUIU-UHFFFAOYSA-N 0 1 362.502 4.107 20 30 FIEDMN N#CC(=C([O-])c1cn2cc(Cl)cc(Cl)c2[nH+]1)c1nc2ccccc2[nH]1 ZINC000442001042 1092368358 /nfs/dbraw/zinc/36/83/58/1092368358.db2.gz LHCOWWWAYZDSTA-SNVBAGLBSA-N 0 1 370.199 4.007 20 30 FIEDMN COc1ccc2occ(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)c2c1 ZINC000442031757 1092394395 /nfs/dbraw/zinc/39/43/95/1092394395.db2.gz NALWAFHBCWJNTJ-ZDUSSCGKSA-N 0 1 360.291 4.345 20 30 FIEDMN COc1ccc2occ(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2c1 ZINC000442031757 1092394407 /nfs/dbraw/zinc/39/44/07/1092394407.db2.gz NALWAFHBCWJNTJ-ZDUSSCGKSA-N 0 1 360.291 4.345 20 30 FIEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)COc1cccc2ccccc21 ZINC000521091078 1092490264 /nfs/dbraw/zinc/49/02/64/1092490264.db2.gz DORGQMPCUACTLH-JOCHJYFZSA-N 0 1 372.468 4.139 20 30 FIEDMN Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc4c(nccc4C)[nH]3)cc2)cs1 ZINC000442530834 1092670660 /nfs/dbraw/zinc/67/06/60/1092670660.db2.gz QRDMOOJFRHDKFE-OAHLLOKOSA-N 0 1 373.441 4.188 20 30 FIEDMN COCCCOc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1 ZINC000442621606 1092702116 /nfs/dbraw/zinc/70/21/16/1092702116.db2.gz ZCNGLCGLBDYGLM-INIZCTEOSA-N 0 1 366.442 4.202 20 30 FIEDMN COCCCOc1cccc(C(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000442621606 1092702126 /nfs/dbraw/zinc/70/21/26/1092702126.db2.gz ZCNGLCGLBDYGLM-INIZCTEOSA-N 0 1 366.442 4.202 20 30 FIEDMN CCc1ccc(-c2csc(NC(=O)c3ccc(C#N)c(O)c3)n2)s1 ZINC000442978968 1092884615 /nfs/dbraw/zinc/88/46/15/1092884615.db2.gz YPHPSTVAQXINII-UHFFFAOYSA-N 0 1 355.444 4.264 20 30 FIEDMN C=CCOc1ccc(CNCc2ccc(Br)cc2OC)cc1 ZINC000512560417 1092936873 /nfs/dbraw/zinc/93/68/73/1092936873.db2.gz DTOOAOVQIAXOSI-UHFFFAOYSA-N 0 1 362.267 4.312 20 30 FIEDMN COCCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512611182 1092989386 /nfs/dbraw/zinc/98/93/86/1092989386.db2.gz IOEKQETTWFXGHP-GJZGRUSLSA-N 0 1 372.440 4.143 20 30 FIEDMN CCOCCOCc1cccc(CN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512626451 1093024921 /nfs/dbraw/zinc/02/49/21/1093024921.db2.gz UFFAKBAGMOIKTH-MRXNPFEDSA-N 0 1 356.441 4.101 20 30 FIEDMN CCN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000614167984 1093037343 /nfs/dbraw/zinc/03/73/43/1093037343.db2.gz IVPHBGRGQZFIFN-OAQYLSRUSA-N 0 1 361.489 4.115 20 30 FIEDMN C=C(C)COc1cc(CN[C@H]2CCOc3c(F)cccc32)ccc1OC ZINC000191127719 1093040485 /nfs/dbraw/zinc/04/04/85/1093040485.db2.gz MPUWJZJCBUZOEJ-SFHVURJKSA-N 0 1 357.425 4.403 20 30 FIEDMN CCCCNC(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512640736 1093064349 /nfs/dbraw/zinc/06/43/49/1093064349.db2.gz AEBXRLIZCJTDSP-HNNXBMFYSA-N 0 1 353.441 4.078 20 30 FIEDMN C=CC[N@H+](CCc1ccco1)Cc1cc(C)cc(Br)c1[O-] ZINC001204983460 1093074068 /nfs/dbraw/zinc/07/40/68/1093074068.db2.gz AUMJWXFUCXOEJO-UHFFFAOYSA-N 0 1 350.256 4.287 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000512658920 1093096680 /nfs/dbraw/zinc/09/66/80/1093096680.db2.gz AZPMXIUMYPRTQW-KGLIPLIRSA-N 0 1 366.440 4.393 20 30 FIEDMN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(C#N)cc1F ZINC000512662125 1093101876 /nfs/dbraw/zinc/10/18/76/1093101876.db2.gz VRHKPOFEUKSEPG-ASSNKEHSSA-N 0 1 352.409 4.270 20 30 FIEDMN C[C@@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1cccc(C#N)c1 ZINC000025215639 1093186429 /nfs/dbraw/zinc/18/64/29/1093186429.db2.gz DGYZWCNBZHOWLD-SJKOYZFVSA-N 0 1 371.893 4.365 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccccc2)nc1)c1nc2ccccc2s1 ZINC000522231820 1093225097 /nfs/dbraw/zinc/22/50/97/1093225097.db2.gz HOVNDLPYNDYGSP-HNNXBMFYSA-N 0 1 356.410 4.243 20 30 FIEDMN N#CCCN(Cc1ccccn1)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000094107461 1093311458 /nfs/dbraw/zinc/31/14/58/1093311458.db2.gz NMLSPSZUPGYSSC-UHFFFAOYSA-N 0 1 365.820 4.150 20 30 FIEDMN Fc1ccc(C#CCN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1 ZINC000443647818 1093395718 /nfs/dbraw/zinc/39/57/18/1093395718.db2.gz LUBHDOIJHISBRP-MRXNPFEDSA-N 0 1 352.384 4.337 20 30 FIEDMN Cc1ccc2cc([C@@H](C)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc2c1 ZINC000573871703 1093546309 /nfs/dbraw/zinc/54/63/09/1093546309.db2.gz RHWDNJLDZXHOES-OXQOHEQNSA-N 0 1 373.456 4.065 20 30 FIEDMN CN(Cc1ccc(Br)s1)Cc1ccc(OCC#N)cc1 ZINC000729267222 1093954410 /nfs/dbraw/zinc/95/44/10/1093954410.db2.gz MECDSHRVEBOVMR-UHFFFAOYSA-N 0 1 351.269 4.045 20 30 FIEDMN CCOc1cc(CNCc2ccc(C#N)cc2F)ccc1OCC(C)C ZINC000236962888 1094020094 /nfs/dbraw/zinc/02/00/94/1094020094.db2.gz HNPIRDUZHNOXFP-UHFFFAOYSA-N 0 1 356.441 4.421 20 30 FIEDMN N#Cc1ccc(N2CC[C@H](NC(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000433726834 1094069925 /nfs/dbraw/zinc/06/99/25/1094069925.db2.gz KRMIBOCKDQXRIS-QFIPXVFZSA-N 0 1 367.452 4.043 20 30 FIEDMN COc1ccc(C#N)cc1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000513350729 1094074360 /nfs/dbraw/zinc/07/43/60/1094074360.db2.gz IRCMWLBJPFWVAE-UHFFFAOYSA-N 0 1 355.869 4.297 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)n1 ZINC000115900983 1094284210 /nfs/dbraw/zinc/28/42/10/1094284210.db2.gz LKRFVFPBBGLGMP-IBGZPJMESA-N 0 1 373.437 4.392 20 30 FIEDMN CN(C)Cc1cc(-c2noc(CSc3ccc(C#N)cc3)n2)ccc1F ZINC000546463708 1094587620 /nfs/dbraw/zinc/58/76/20/1094587620.db2.gz MNGJYNFAXFLBKI-UHFFFAOYSA-N 0 1 368.437 4.101 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)n1 ZINC000041515291 1094640180 /nfs/dbraw/zinc/64/01/80/1094640180.db2.gz VFTVUHOFNIMFRV-KRWDZBQOSA-N 0 1 367.474 4.460 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cc(C)n1 ZINC000501331914 1094641078 /nfs/dbraw/zinc/64/10/78/1094641078.db2.gz WFRTVEUXGXSNJP-GFCCVEGCSA-N 0 1 357.822 4.152 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)n1 ZINC000041517448 1094641490 /nfs/dbraw/zinc/64/14/90/1094641490.db2.gz YQACIMPELCPIQW-OAHLLOKOSA-N 0 1 374.425 4.387 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)n1 ZINC000041517448 1094641500 /nfs/dbraw/zinc/64/15/00/1094641500.db2.gz YQACIMPELCPIQW-OAHLLOKOSA-N 0 1 374.425 4.387 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2ccccc2NC(=O)c2ccccc2)n1 ZINC000041516565 1094642954 /nfs/dbraw/zinc/64/29/54/1094642954.db2.gz QIVGMONPFWRBBK-MRXNPFEDSA-N 0 1 361.426 4.194 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2NC(=O)c2ccccc2)n1 ZINC000041516565 1094642962 /nfs/dbraw/zinc/64/29/62/1094642962.db2.gz QIVGMONPFWRBBK-MRXNPFEDSA-N 0 1 361.426 4.194 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CC=C(c2ccccc2Cl)CC1 ZINC000329101529 1094740882 /nfs/dbraw/zinc/74/08/82/1094740882.db2.gz ZTCNQYUWRFXGBP-QGZVFWFLSA-N 0 1 356.857 4.144 20 30 FIEDMN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)N1CCC(c2cnc[nH]2)CC1 ZINC000329272968 1094809916 /nfs/dbraw/zinc/80/99/16/1094809916.db2.gz JUGAFFCENRRJLT-MRXNPFEDSA-N 0 1 374.872 4.070 20 30 FIEDMN C[C@]1(c2ccccc2)CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000329288401 1094818370 /nfs/dbraw/zinc/81/83/70/1094818370.db2.gz PQUNSWDHBVXKOS-RXVVDRJESA-N 0 1 352.482 4.145 20 30 FIEDMN O=C(NC1CCC(c2ccc(F)cc2)CC1)N1CCC(c2cnc[nH]2)CC1 ZINC000329432662 1094903866 /nfs/dbraw/zinc/90/38/66/1094903866.db2.gz IAWFGJGVBCUQHE-UHFFFAOYSA-N 0 1 370.472 4.369 20 30 FIEDMN CC(C)(C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)c1cccnc1 ZINC000329499197 1094937073 /nfs/dbraw/zinc/93/70/73/1094937073.db2.gz XZXBYNXULWIVBP-UHFFFAOYSA-N 0 1 373.541 4.129 20 30 FIEDMN Cc1cc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cnc1N1CCCC[C@@H]1C ZINC000329502069 1094941953 /nfs/dbraw/zinc/94/19/53/1094941953.db2.gz KPUPSXJEQSKLFY-GOEBONIOSA-N 0 1 353.470 4.200 20 30 FIEDMN Cc1cc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cnc1N1CCCC[C@H]1C ZINC000329502068 1094942599 /nfs/dbraw/zinc/94/25/99/1094942599.db2.gz KPUPSXJEQSKLFY-GDBMZVCRSA-N 0 1 353.470 4.200 20 30 FIEDMN CC1(C)C[C@H](NC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)c2ccccc21 ZINC000329600467 1094993643 /nfs/dbraw/zinc/99/36/43/1094993643.db2.gz KDCWYFIQUNIFJQ-YOEHRIQHSA-N 0 1 358.873 4.120 20 30 FIEDMN CCOc1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)ccc1OC ZINC000513728119 1095052571 /nfs/dbraw/zinc/05/25/71/1095052571.db2.gz FOSKHYYNMSYSOW-UHFFFAOYSA-N 0 1 366.461 4.009 20 30 FIEDMN Cc1cnn([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCC[C@@H](c4ccccc4)C3)C2)c1 ZINC000329660464 1095077606 /nfs/dbraw/zinc/07/76/06/1095077606.db2.gz ODTRTPGIUHDMSC-VAMGGRTRSA-N 0 1 352.482 4.079 20 30 FIEDMN C=C(C)[C@@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000420921079 1095164548 /nfs/dbraw/zinc/16/45/48/1095164548.db2.gz LFHSLLWRMFNFCK-JOCHJYFZSA-N 0 1 372.459 4.204 20 30 FIEDMN Cc1ccc(NC(=O)CN2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)c(C)c1 ZINC000329783575 1095265043 /nfs/dbraw/zinc/26/50/43/1095265043.db2.gz ORLRELLBGGSTGP-QGZVFWFLSA-N 0 1 355.486 4.360 20 30 FIEDMN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1nc2ccccc2s1 ZINC000329804999 1095271770 /nfs/dbraw/zinc/27/17/70/1095271770.db2.gz KONUZKFQQDYGNK-UAGQMJEPSA-N 0 1 373.522 4.290 20 30 FIEDMN CC(C)c1nc([C@@H]2CCCCN2CC(=O)Nc2cc(F)cc(F)c2)n[nH]1 ZINC000329818600 1095277517 /nfs/dbraw/zinc/27/75/17/1095277517.db2.gz GGGARMRJMTXQCW-HNNXBMFYSA-N 0 1 363.412 4.022 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCCCC12CCCC2)N1CCC[C@H]1Cn1cc(C2CC2)nn1 ZINC000329821379 1095278287 /nfs/dbraw/zinc/27/82/87/1095278287.db2.gz PTTAMWOITWTBJU-PKOBYXMFSA-N 0 1 371.529 4.037 20 30 FIEDMN CC(C)c1nc([C@H]2CCCCN2CC(=O)Nc2cc(C(C)(C)C)no2)n[nH]1 ZINC000329861006 1095295594 /nfs/dbraw/zinc/29/55/94/1095295594.db2.gz XQYHUGGKYQOESX-CYBMUJFWSA-N 0 1 374.489 4.029 20 30 FIEDMN CC1(C)CCCC[C@@H]1CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000502323417 1095350266 /nfs/dbraw/zinc/35/02/66/1095350266.db2.gz WCJIIUVTACHQDJ-OAQYLSRUSA-N 0 1 367.537 4.199 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CCC(c3ccccc3)CC1)CC2 ZINC000330049533 1095361680 /nfs/dbraw/zinc/36/16/80/1095361680.db2.gz KWUSAOPJFRGHQP-HXUWFJFHSA-N 0 1 366.509 4.115 20 30 FIEDMN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330073913 1095371835 /nfs/dbraw/zinc/37/18/35/1095371835.db2.gz KUYHTSVOHKEFQJ-MEBBXXQBSA-N 0 1 367.280 4.229 20 30 FIEDMN CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCCc4cn[nH]c43)c12 ZINC000330098096 1095379057 /nfs/dbraw/zinc/37/90/57/1095379057.db2.gz BLQBRCBIOYSUBT-OAHLLOKOSA-N 0 1 365.437 4.158 20 30 FIEDMN O=C(NCc1ccc(OC2CCCCC2)cc1)N[C@H]1CCCc2cn[nH]c21 ZINC000330142908 1095391981 /nfs/dbraw/zinc/39/19/81/1095391981.db2.gz QVEBKAYXVICMPO-IBGZPJMESA-N 0 1 368.481 4.202 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000330152210 1095396886 /nfs/dbraw/zinc/39/68/86/1095396886.db2.gz WNUDVEGAYZHLLJ-OAHLLOKOSA-N 0 1 365.264 4.066 20 30 FIEDMN Cc1cc(CN[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)ccc1C#N ZINC000443973265 1095404544 /nfs/dbraw/zinc/40/45/44/1095404544.db2.gz YTNCFKRMGDQTJQ-HSZRJFAPSA-N 0 1 369.468 4.206 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000330180260 1095407817 /nfs/dbraw/zinc/40/78/17/1095407817.db2.gz FWOQWGACCOFYHK-YLJYHZDGSA-N 0 1 360.461 4.102 20 30 FIEDMN O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330303297 1095477212 /nfs/dbraw/zinc/47/72/12/1095477212.db2.gz JUSYEINRUOQMPM-LBPRGKRZSA-N 0 1 359.651 4.023 20 30 FIEDMN O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@@H]1CCC[N@H+]1C1CC1 ZINC000330303297 1095477223 /nfs/dbraw/zinc/47/72/23/1095477223.db2.gz JUSYEINRUOQMPM-LBPRGKRZSA-N 0 1 359.651 4.023 20 30 FIEDMN C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccc(F)cc1Cl ZINC000183780706 1096180139 /nfs/dbraw/zinc/18/01/39/1096180139.db2.gz IZDKBKUENQVVDU-JTQLQIEISA-N 0 1 351.834 4.092 20 30 FIEDMN CCOc1cc(CN2CCC(C)(C#N)CC2)ccc1OCC(F)(F)F ZINC000272559777 1096190964 /nfs/dbraw/zinc/19/09/64/1096190964.db2.gz SYPODNJBXUMGSK-UHFFFAOYSA-N 0 1 356.388 4.152 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)n[nH]2)cc1 ZINC000503833802 1096562384 /nfs/dbraw/zinc/56/23/84/1096562384.db2.gz XQZFBVZLHBJFRY-UHFFFAOYSA-N 0 1 368.440 4.186 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1C1CCC1 ZINC000532963758 1098632582 /nfs/dbraw/zinc/63/25/82/1098632582.db2.gz WMADLWMRVQINEL-YJBOKZPZSA-N 0 1 357.523 4.141 20 30 FIEDMN Cc1oc(C#N)cc1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000436130212 1098755645 /nfs/dbraw/zinc/75/56/45/1098755645.db2.gz NIZKLCKFUSGIDI-UHFFFAOYSA-N 0 1 360.348 4.394 20 30 FIEDMN CCN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@H](C)c1ccc(C#N)cc1 ZINC000505789616 1098908812 /nfs/dbraw/zinc/90/88/12/1098908812.db2.gz HODJPQDNAMYHNK-JRGCBEDISA-N 0 1 353.510 4.122 20 30 FIEDMN C=CCC1(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CCOCC1 ZINC000425543516 1099002209 /nfs/dbraw/zinc/00/22/09/1099002209.db2.gz HVZLFMYVFRJKJU-QGZVFWFLSA-N 0 1 373.884 4.253 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@H](c2ccccc2C)C(C)C)c(C#N)c1C ZINC000436428948 1099008479 /nfs/dbraw/zinc/00/84/79/1099008479.db2.gz KSWQDIDSIYPHSN-FQEVSTJZSA-N 0 1 353.466 4.344 20 30 FIEDMN CC(C)(C)CN(CCC#N)CCC(=O)Nc1cccc(Br)c1 ZINC000533426218 1099046985 /nfs/dbraw/zinc/04/69/85/1099046985.db2.gz QEXOXBVMHXXNJQ-UHFFFAOYSA-N 0 1 366.303 4.039 20 30 FIEDMN N#Cc1ccc(CNCc2ccc(Cn3cnc4ccccc43)cc2)c(F)c1 ZINC000533449403 1099058347 /nfs/dbraw/zinc/05/83/47/1099058347.db2.gz RTUVDYSNVYERAA-UHFFFAOYSA-N 0 1 370.431 4.385 20 30 FIEDMN N#Cc1ccc(CNCc2cccc(OC(F)F)c2)c(C(F)(F)F)c1 ZINC000516217687 1099272051 /nfs/dbraw/zinc/27/20/51/1099272051.db2.gz PPUZFCIYTIVHFH-UHFFFAOYSA-N 0 1 356.294 4.468 20 30 FIEDMN CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Cl)cc2O)c1C#N ZINC000436804674 1099333079 /nfs/dbraw/zinc/33/30/79/1099333079.db2.gz BZSSGROENDCBGW-UHFFFAOYSA-N 0 1 359.838 4.164 20 30 FIEDMN CCC[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)c(Cl)c1 ZINC000516499417 1099544715 /nfs/dbraw/zinc/54/47/15/1099544715.db2.gz CBIURNNQDLBDEN-AEFFLSMTSA-N 0 1 370.324 4.479 20 30 FIEDMN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437158239 1099675417 /nfs/dbraw/zinc/67/54/17/1099675417.db2.gz XROQATZVLYDHGC-UHFFFAOYSA-N 0 1 355.388 4.442 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1C ZINC000516714146 1099748813 /nfs/dbraw/zinc/74/88/13/1099748813.db2.gz QYGXOSXKOQCVBI-KRWDZBQOSA-N 0 1 360.442 4.127 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000506013105 1099778389 /nfs/dbraw/zinc/77/83/89/1099778389.db2.gz QIVRTTPPTCCCBA-UHFFFAOYSA-N 0 1 367.802 4.244 20 30 FIEDMN Cc1cc(OC[C@@H](O)CN2CCC(C)(C#N)CC2)c(C(C)C)cc1Cl ZINC000506033493 1099810027 /nfs/dbraw/zinc/81/00/27/1099810027.db2.gz XZCYGWJGUHJUOX-INIZCTEOSA-N 0 1 364.917 4.137 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437402609 1099894090 /nfs/dbraw/zinc/89/40/90/1099894090.db2.gz CHOLPVYJLVGWRW-UHFFFAOYSA-N 0 1 355.388 4.444 20 30 FIEDMN N#Cc1ccc2c(c1)[C@H](NCc1cc(Br)cc3c1OCC3)CC2 ZINC000516896579 1099921781 /nfs/dbraw/zinc/92/17/81/1099921781.db2.gz NKVYGAUROLXPRL-GOSISDBHSA-N 0 1 369.262 4.033 20 30 FIEDMN CCCN1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000437497368 1099956927 /nfs/dbraw/zinc/95/69/27/1099956927.db2.gz RSBIHGJXCKGSTF-GOSISDBHSA-N 0 1 367.424 4.303 20 30 FIEDMN C=CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccco1 ZINC000476013856 1100018289 /nfs/dbraw/zinc/01/82/89/1100018289.db2.gz UKVJXCHJUHEGHO-WIYYLYMNSA-N 0 1 354.494 4.297 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cccc(OCCc3ccccc3)c2)cc1O ZINC000506194651 1100545517 /nfs/dbraw/zinc/54/55/17/1100545517.db2.gz XDKMUGPWIZMWEG-UHFFFAOYSA-N 0 1 358.397 4.138 20 30 FIEDMN N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Cl)o1 ZINC000126582555 1100619034 /nfs/dbraw/zinc/61/90/34/1100619034.db2.gz FYUNGHMGYIFYGW-SNVBAGLBSA-N 0 1 370.764 4.209 20 30 FIEDMN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Cl)o1 ZINC000126582555 1100619037 /nfs/dbraw/zinc/61/90/37/1100619037.db2.gz FYUNGHMGYIFYGW-SNVBAGLBSA-N 0 1 370.764 4.209 20 30 FIEDMN COc1cccc2c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)n[nH]c21 ZINC000518432936 1101200063 /nfs/dbraw/zinc/20/00/63/1101200063.db2.gz BUGKSFTXQKNZQN-LBPRGKRZSA-N 0 1 366.446 4.076 20 30 FIEDMN CSc1cc2c(cc1CN(Cc1ccc(C#N)cc1)C1CC1)OCCO2 ZINC000506544344 1101334818 /nfs/dbraw/zinc/33/48/18/1101334818.db2.gz AUDJIASURMWWHV-UHFFFAOYSA-N 0 1 366.486 4.216 20 30 FIEDMN C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cc2cccc(F)c2o1 ZINC000475708330 1101400268 /nfs/dbraw/zinc/40/02/68/1101400268.db2.gz GTVMTFKHOGXTGR-NSHDSACASA-N 0 1 371.799 4.386 20 30 FIEDMN CC[C@@H]1Oc2cc([C@H](C)NCc3ccc(C#N)cc3Cl)ccc2NC1=O ZINC000439427740 1101424437 /nfs/dbraw/zinc/42/44/37/1101424437.db2.gz AXKHJFCIYNYHMY-SGTLLEGYSA-N 0 1 369.852 4.172 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](CC)c1ccccc1OC(F)F ZINC000537053257 1101428991 /nfs/dbraw/zinc/42/89/91/1101428991.db2.gz IPOHNVIRIQBMFN-HOCLYGCPSA-N 0 1 354.441 4.142 20 30 FIEDMN COC[C@H](Cc1ccccc1)N(C)Cc1ccc(C#N)cc1Br ZINC000475743964 1101562523 /nfs/dbraw/zinc/56/25/23/1101562523.db2.gz NOXFPWCRGMUFPE-SFHVURJKSA-N 0 1 373.294 4.010 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000475747212 1101575781 /nfs/dbraw/zinc/57/57/81/1101575781.db2.gz IFJUIEFXPCVOFE-VQHPVUNQSA-N 0 1 359.539 4.243 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1cccc(C#N)c1 ZINC000140348752 1101604657 /nfs/dbraw/zinc/60/46/57/1101604657.db2.gz IMGFOZWEDNBURF-QWHCGFSZSA-N 0 1 361.367 4.255 20 30 FIEDMN N#CC(C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccncn1 ZINC000546152837 1101735108 /nfs/dbraw/zinc/73/51/08/1101735108.db2.gz JPKSOLXQJSKKCP-CYBMUJFWSA-N 0 1 371.368 4.297 20 30 FIEDMN N#C[C@@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccncn1 ZINC000546152837 1101735122 /nfs/dbraw/zinc/73/51/22/1101735122.db2.gz JPKSOLXQJSKKCP-CYBMUJFWSA-N 0 1 371.368 4.297 20 30 FIEDMN O=C(Nc1cccc(F)c1)C1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000439804001 1101783207 /nfs/dbraw/zinc/78/32/07/1101783207.db2.gz HQHTZZXYHNNQFP-UHFFFAOYSA-N 0 1 370.855 4.181 20 30 FIEDMN C=CCc1cc(CN(CC)Cc2ccc(OC)cc2OC)cc(OC)c1O ZINC000508644712 1101879253 /nfs/dbraw/zinc/87/92/53/1101879253.db2.gz GMQLZOFDLDYFOY-UHFFFAOYSA-N 0 1 371.477 4.169 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000018015905 1101939670 /nfs/dbraw/zinc/93/96/70/1101939670.db2.gz GYAFNQNVJYGUHI-LJQANCHMSA-N 0 1 355.869 4.025 20 30 FIEDMN C=CCN(CCC(=O)N1CCc2ccccc21)Cc1ccc(Cl)s1 ZINC000058490905 1101968135 /nfs/dbraw/zinc/96/81/35/1101968135.db2.gz DFJGIBOIQMUPER-UHFFFAOYSA-N 0 1 360.910 4.369 20 30 FIEDMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc(F)cc2C#N)n1 ZINC000102971722 1102072481 /nfs/dbraw/zinc/07/24/81/1102072481.db2.gz VQXTURHBKFKTMQ-UHFFFAOYSA-N 0 1 374.828 4.437 20 30 FIEDMN N#CC1(CCCCN2CCN(c3nc4ccccc4s3)CC2)CCC1 ZINC001168339381 1102272699 /nfs/dbraw/zinc/27/26/99/1102272699.db2.gz OCYZEXCUYGDINR-UHFFFAOYSA-N 0 1 354.523 4.282 20 30 FIEDMN Cc1cccnc1[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000120967749 1102290708 /nfs/dbraw/zinc/29/07/08/1102290708.db2.gz GPPQQHSLLFLONB-AZUAARDMSA-N 0 1 364.493 4.012 20 30 FIEDMN N#C[C@H](C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1 ZINC000429672061 1102301438 /nfs/dbraw/zinc/30/14/38/1102301438.db2.gz BYGBGHBIGYQYTF-LLVKDONJSA-N 0 1 362.336 4.042 20 30 FIEDMN N#CC(C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1 ZINC000429672061 1102301453 /nfs/dbraw/zinc/30/14/53/1102301453.db2.gz BYGBGHBIGYQYTF-LLVKDONJSA-N 0 1 362.336 4.042 20 30 FIEDMN CC(C)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nn1-c1ccccc1 ZINC000121871520 1102466955 /nfs/dbraw/zinc/46/69/55/1102466955.db2.gz NAUPOLRTCSENIO-MRXNPFEDSA-N 0 1 369.428 4.362 20 30 FIEDMN CC(C)OC(=O)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000532655597 1102723019 /nfs/dbraw/zinc/72/30/19/1102723019.db2.gz ZNIHOUBIGURLRK-UHFFFAOYSA-N 0 1 354.425 4.041 20 30 FIEDMN C=C(C)[C@@H](NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1)c1ccc(F)c(F)c1 ZINC000476751982 1102755227 /nfs/dbraw/zinc/75/52/27/1102755227.db2.gz BAJGNDHNQVPGMB-AUUYWEPGSA-N 0 1 373.447 4.350 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cnn(-c3ccccc3Cl)c2C)n1 ZINC000112222380 1102819082 /nfs/dbraw/zinc/81/90/82/1102819082.db2.gz IYTAXLCWKWXHFJ-GFCCVEGCSA-N 0 1 356.838 4.089 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000551116112 1102922217 /nfs/dbraw/zinc/92/22/17/1102922217.db2.gz QRMHFXXLLRJZGG-UHFFFAOYSA-N 0 1 359.414 4.119 20 30 FIEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000057175606 1103006996 /nfs/dbraw/zinc/00/69/96/1103006996.db2.gz AGROFASBCMSONI-GOSISDBHSA-N 0 1 365.304 4.002 20 30 FIEDMN C=C(Br)CNCc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000729682229 1103035124 /nfs/dbraw/zinc/03/51/24/1103035124.db2.gz WRFWJVKIPSHMHQ-UHFFFAOYSA-N 0 1 361.283 4.276 20 30 FIEDMN C=C(Br)CNCc1cccc(OCc2ccccc2F)c1 ZINC000729682228 1103035556 /nfs/dbraw/zinc/03/55/56/1103035556.db2.gz WNOAPDPJXLBTSY-UHFFFAOYSA-N 0 1 350.231 4.403 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cc(C)cc(F)c2)no1 ZINC001211976053 1103129681 /nfs/dbraw/zinc/12/96/81/1103129681.db2.gz XXWXXPSDUJLNIB-ROUUACIJSA-N 0 1 361.461 4.262 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cc(C)cc(C)c2)no1 ZINC001211975291 1103130234 /nfs/dbraw/zinc/13/02/34/1103130234.db2.gz BZABGEYVACIQGG-MOPGFXCFSA-N 0 1 357.498 4.432 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C)c(C)c2)no1 ZINC001211975605 1103132284 /nfs/dbraw/zinc/13/22/84/1103132284.db2.gz LYVWVEIJEWDOII-OALUTQOASA-N 0 1 357.498 4.432 20 30 FIEDMN CC(C)N(Cc1ccc(C#N)cc1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000507148028 1103147716 /nfs/dbraw/zinc/14/77/16/1103147716.db2.gz ZZZZLMSSOYPNJK-UHFFFAOYSA-N 0 1 374.387 4.299 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(F)c1 ZINC000532780862 1103203329 /nfs/dbraw/zinc/20/33/29/1103203329.db2.gz XSGVWFFLIFYTSK-HNNXBMFYSA-N 0 1 353.372 4.357 20 30 FIEDMN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)COc1ccccc1C(C)C ZINC000519872903 1103917917 /nfs/dbraw/zinc/91/79/17/1103917917.db2.gz ZRJCKCOCTPPABW-NRFANRHFSA-N 0 1 364.489 4.110 20 30 FIEDMN N#Cc1cccc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000440753963 1103933102 /nfs/dbraw/zinc/93/31/02/1103933102.db2.gz KVDNGYIHMBVOKS-KRWDZBQOSA-N 0 1 350.809 4.065 20 30 FIEDMN CSc1cccc(NC(=O)CN(Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000519908030 1103936626 /nfs/dbraw/zinc/93/66/26/1103936626.db2.gz BUWZQUBXZMKMDX-UHFFFAOYSA-N 0 1 367.518 4.377 20 30 FIEDMN COCCSc1ccc([C@@H](C)NCc2cc(C#N)ccc2OC)cc1 ZINC000538205753 1104018379 /nfs/dbraw/zinc/01/83/79/1104018379.db2.gz OIPBZMJGANSHNZ-OAHLLOKOSA-N 0 1 356.491 4.156 20 30 FIEDMN CC[C@@H]1Oc2cc([C@@H](C)NCC#Cc3ccccc3Cl)ccc2NC1=O ZINC000538256531 1104081037 /nfs/dbraw/zinc/08/10/37/1104081037.db2.gz MRRLXYKIXLLLDI-KUHUBIRLSA-N 0 1 368.864 4.152 20 30 FIEDMN CC(C)CN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc(C#N)cc1 ZINC000520173213 1104143639 /nfs/dbraw/zinc/14/36/39/1104143639.db2.gz WAHGZCUUUIXYGQ-FCHUYYIVSA-N 0 1 367.537 4.197 20 30 FIEDMN N#Cc1cccc(-c2nnc(CN3CC[C@H](c4ccc(Cl)cc4)C3)o2)c1 ZINC000441410599 1104335954 /nfs/dbraw/zinc/33/59/54/1104335954.db2.gz LGOGBMFLFCVPMA-KRWDZBQOSA-N 0 1 364.836 4.251 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cnc(-c2ccsc2)s1 ZINC000112483393 1104363100 /nfs/dbraw/zinc/36/31/00/1104363100.db2.gz OEZBRAWAAVSYRD-LBPRGKRZSA-N 0 1 364.455 4.248 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnc(-c2ccsc2)s1 ZINC000112483393 1104363111 /nfs/dbraw/zinc/36/31/11/1104363111.db2.gz OEZBRAWAAVSYRD-LBPRGKRZSA-N 0 1 364.455 4.248 20 30 FIEDMN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000328636362 1104523037 /nfs/dbraw/zinc/52/30/37/1104523037.db2.gz AHIJFWOHIFQQMF-RMJJICAUSA-N 0 1 372.557 4.323 20 30 FIEDMN Cc1ccc2c(c1)[C@H](NCC(=O)N[C@H]1CCOc3ccccc31)CCCO2 ZINC000328664725 1104528862 /nfs/dbraw/zinc/52/88/62/1104528862.db2.gz YTJNRHYELDYRPE-MOPGFXCFSA-N 0 1 366.461 4.279 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3c4ccccc4CC[C@@H]3C)C2)n[nH]1 ZINC000328676646 1104531409 /nfs/dbraw/zinc/53/14/09/1104531409.db2.gz AEIVTWPQDBATAX-NQYLQCIDSA-N 0 1 352.482 4.135 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3CCCc4ccc(F)cc43)C2)n[nH]1 ZINC000328721366 1104532966 /nfs/dbraw/zinc/53/29/66/1104532966.db2.gz WUILOVHDVZGUDH-QAPCUYQASA-N 0 1 356.445 4.028 20 30 FIEDMN C[C@H](C(=O)NC1CC1)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000328804977 1104559176 /nfs/dbraw/zinc/55/91/76/1104559176.db2.gz BWUZUOFQUQSVFO-DIFFPNOSSA-N 0 1 361.873 4.245 20 30 FIEDMN O=C(NCC1(c2ccccc2)CCCCCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000328952856 1104598106 /nfs/dbraw/zinc/59/81/06/1104598106.db2.gz NYUCBFMMEXVIQG-MRXNPFEDSA-N 0 1 352.482 4.158 20 30 FIEDMN O=C(NCC1(c2ccccc2)CCCCCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000328952856 1104598117 /nfs/dbraw/zinc/59/81/17/1104598117.db2.gz NYUCBFMMEXVIQG-MRXNPFEDSA-N 0 1 352.482 4.158 20 30 FIEDMN C[C@H](N)c1ncc(-c2nc(-c3ccc(C(C)(C)C)cc3C#N)no2)s1 ZINC001213208401 1104685496 /nfs/dbraw/zinc/68/54/96/1104685496.db2.gz WVRZRUVTJZIDNP-JTQLQIEISA-N 0 1 353.451 4.049 20 30 FIEDMN C#CCOc1ccc(CN[C@H](COC)c2cccc(C(F)(F)F)c2)cc1 ZINC000237176493 1104961186 /nfs/dbraw/zinc/96/11/86/1104961186.db2.gz RRJKUIUPPGMIBM-LJQANCHMSA-N 0 1 363.379 4.195 20 30 FIEDMN C=CCC[C@@H](NC(=O)c1[nH]nc(C)c1C)c1ccc(C(F)(F)F)cc1 ZINC000441542191 1104978078 /nfs/dbraw/zinc/97/80/78/1104978078.db2.gz GHKCDXXDXSBBDL-OAHLLOKOSA-N 0 1 351.372 4.483 20 30 FIEDMN N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2ccsc2)cc1F ZINC000507885888 1105255985 /nfs/dbraw/zinc/25/59/85/1105255985.db2.gz GBTGDIQOQSVZIX-UHFFFAOYSA-N 0 1 374.418 4.352 20 30 FIEDMN N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000507997141 1105298345 /nfs/dbraw/zinc/29/83/45/1105298345.db2.gz CHEHXLAWLXFMFV-UHFFFAOYSA-N 0 1 371.425 4.233 20 30 FIEDMN C[C@@H](CC(F)(F)CN)c1nc(-c2ccc(-c3ccc(C#N)cc3)cc2)no1 ZINC001211896061 1106747478 /nfs/dbraw/zinc/74/74/78/1106747478.db2.gz VIFSRVMPPNZTEL-ZDUSSCGKSA-N 0 1 368.387 4.363 20 30 FIEDMN N#CC1(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CCC1 ZINC000450942406 1106827955 /nfs/dbraw/zinc/82/79/55/1106827955.db2.gz QXMLVLKLWVEVEA-KRWDZBQOSA-N 0 1 352.400 4.457 20 30 FIEDMN CCN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000609847587 1106905802 /nfs/dbraw/zinc/90/58/02/1106905802.db2.gz VZVYKLWCUMAZMK-KRWDZBQOSA-N 0 1 370.456 4.342 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2cccc(C3CC3)c2)c(C#N)c1C ZINC000451116844 1106929315 /nfs/dbraw/zinc/92/93/15/1106929315.db2.gz SEJPLRRAMBOLHQ-KGLIPLIRSA-N 0 1 351.450 4.323 20 30 FIEDMN C[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc(C#N)cc1 ZINC000530438661 1107041586 /nfs/dbraw/zinc/04/15/86/1107041586.db2.gz RTQOKEWPDLXUDI-PXAZEXFGSA-N 0 1 374.271 4.321 20 30 FIEDMN C=C(C)[C@@H](Nc1nc(C(F)(F)F)nc2[nH]cnc21)c1ccc(F)c(F)c1 ZINC000302881805 1107477096 /nfs/dbraw/zinc/47/70/96/1107477096.db2.gz JKKNJFRZUKMUGV-LLVKDONJSA-N 0 1 369.297 4.379 20 30 FIEDMN Cc1cccc(C[N@@H+](CCCC2(C#N)CCOCC2)Cc2ccccn2)c1 ZINC000282009932 1107824246 /nfs/dbraw/zinc/82/42/46/1107824246.db2.gz OHXQYSUIORJVRZ-UHFFFAOYSA-N 0 1 363.505 4.493 20 30 FIEDMN CCCN(CC(=O)N(CC)C[C@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000531841946 1108254301 /nfs/dbraw/zinc/25/43/01/1108254301.db2.gz MQWBIEMHQVCLDY-SJORKVTESA-N 0 1 355.482 4.214 20 30 FIEDMN COc1cc(CN[C@H](C)c2ccc(OCC3CC3)c(F)c2)ccc1C#N ZINC000440640181 1108393523 /nfs/dbraw/zinc/39/35/23/1108393523.db2.gz RHWYPALJAVATHU-CQSZACIVSA-N 0 1 354.425 4.346 20 30 FIEDMN CSc1ccccc1[C@H](C)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000440634815 1108393612 /nfs/dbraw/zinc/39/36/12/1108393612.db2.gz IBTWHGRKXJPIJP-LBPRGKRZSA-N 0 1 359.520 4.248 20 30 FIEDMN N#Cc1ccccc1S(=O)(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000523837240 1108598581 /nfs/dbraw/zinc/59/85/81/1108598581.db2.gz AWHJFFLAFJOYKU-UHFFFAOYSA-N 0 1 356.447 4.071 20 30 FIEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(NC(=O)C(C)(C)C)nc2)n1 ZINC000453698933 1108690229 /nfs/dbraw/zinc/69/02/29/1108690229.db2.gz RWEJRVMDSAKVKM-ZDUSSCGKSA-N 0 1 370.478 4.136 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(NC(=O)C(C)(C)C)nc2)n1 ZINC000453698933 1108690236 /nfs/dbraw/zinc/69/02/36/1108690236.db2.gz RWEJRVMDSAKVKM-ZDUSSCGKSA-N 0 1 370.478 4.136 20 30 FIEDMN N#Cc1cnc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000524232975 1108927518 /nfs/dbraw/zinc/92/75/18/1108927518.db2.gz WLNNSLLMQSVPCA-UHFFFAOYSA-N 0 1 361.276 4.337 20 30 FIEDMN C=CCn1c(C)cc(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c1C ZINC000021814475 1108963219 /nfs/dbraw/zinc/96/32/19/1108963219.db2.gz HRAVLIXHQPALTI-UHFFFAOYSA-N 0 1 366.490 4.359 20 30 FIEDMN CN(Cc1ccc(CC#N)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000445897659 1109036494 /nfs/dbraw/zinc/03/64/94/1109036494.db2.gz DCKSNOQKXBJYOL-SFHVURJKSA-N 0 1 371.278 4.471 20 30 FIEDMN N#Cc1cccc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000475643977 1109255927 /nfs/dbraw/zinc/25/59/27/1109255927.db2.gz XFELEEHRAOATEG-INIZCTEOSA-N 0 1 354.759 4.054 20 30 FIEDMN N#Cc1ccc(C(F)(F)F)c(NC2CCN(Cc3ccccn3)CC2)c1 ZINC000121734598 1109565612 /nfs/dbraw/zinc/56/56/12/1109565612.db2.gz VKZRDVYLUDDKNI-UHFFFAOYSA-N 0 1 360.383 4.049 20 30 FIEDMN CC[C@H](NCC(=O)Nc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000447598080 1109592250 /nfs/dbraw/zinc/59/22/50/1109592250.db2.gz HJYUTMBPVUYXQF-KRWDZBQOSA-N 0 1 372.266 4.000 20 30 FIEDMN Cc1ccc(C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H]2CCc3ccccc32)cc1 ZINC000526136151 1109626949 /nfs/dbraw/zinc/62/69/49/1109626949.db2.gz RLWDJLWOPNFNGE-JOCHJYFZSA-N 0 1 373.500 4.047 20 30 FIEDMN Cc1ccc(CN(CC(=O)NC2(C#N)CCC2)[C@@H]2CCc3ccccc32)cc1 ZINC000526136151 1109626950 /nfs/dbraw/zinc/62/69/50/1109626950.db2.gz RLWDJLWOPNFNGE-JOCHJYFZSA-N 0 1 373.500 4.047 20 30 FIEDMN Cc1oc(NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000448028641 1109705766 /nfs/dbraw/zinc/70/57/66/1109705766.db2.gz OWQDSJMVANCMGK-ICSRJNTNSA-N 0 1 365.477 4.283 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000448028641 1109705769 /nfs/dbraw/zinc/70/57/69/1109705769.db2.gz OWQDSJMVANCMGK-ICSRJNTNSA-N 0 1 365.477 4.283 20 30 FIEDMN CN(C)[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000527262147 1109727077 /nfs/dbraw/zinc/72/70/77/1109727077.db2.gz SKAHVUVHDDMXCO-ICSRJNTNSA-N 0 1 369.896 4.146 20 30 FIEDMN N#Cc1ccc(CN2CCC(Cc3nc(C4CCCC4)no3)CC2)cc1F ZINC000528577435 1110033966 /nfs/dbraw/zinc/03/39/66/1110033966.db2.gz JBBONSGZYHYLNE-UHFFFAOYSA-N 0 1 368.456 4.193 20 30 FIEDMN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H](CO)c1ccc(Cl)cc1 ZINC000449457789 1110077153 /nfs/dbraw/zinc/07/71/53/1110077153.db2.gz VJLQOZRWNYRHIQ-QGZVFWFLSA-N 0 1 368.786 4.396 20 30 FIEDMN N#Cc1cccc(CN2CCC(c3nc(C(F)(F)F)cs3)CC2)c1 ZINC000449437670 1110079027 /nfs/dbraw/zinc/07/90/27/1110079027.db2.gz MVCYSHVLGYSXCY-UHFFFAOYSA-N 0 1 351.397 4.413 20 30 FIEDMN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCC12CC2 ZINC000528915371 1110149441 /nfs/dbraw/zinc/14/94/41/1110149441.db2.gz CSCOGWVEFBHFMQ-NEPJUHHUSA-N 0 1 351.233 4.221 20 30 FIEDMN N#CC(C(=O)c1cc2c(ccc3ccccc23)o1)c1nnc2n1CCCCC2 ZINC000528928457 1110153531 /nfs/dbraw/zinc/15/35/31/1110153531.db2.gz OBFPIWBQBIKWFV-KRWDZBQOSA-N 0 1 370.412 4.394 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc3cc(=O)[nH]cc32)s1 ZINC000529007963 1110171005 /nfs/dbraw/zinc/17/10/05/1110171005.db2.gz HQHPADQFFYBHJF-ZDUSSCGKSA-N 0 1 351.431 4.184 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000026369017 1110266880 /nfs/dbraw/zinc/26/68/80/1110266880.db2.gz NGMWBXNFKGMBIB-NWDGAFQWSA-N 0 1 373.909 4.440 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4nc(C)c(C#N)cc4Cl)C3)[nH]c2c1 ZINC000461936421 1111433379 /nfs/dbraw/zinc/43/33/79/1111433379.db2.gz QSPZGXNPWIFEKA-AWEZNQCLSA-N 0 1 365.868 4.484 20 30 FIEDMN C=CCCCN[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000462175284 1111527010 /nfs/dbraw/zinc/52/70/10/1111527010.db2.gz JZWVUKNQBIQKOS-LJQANCHMSA-N 0 1 365.445 4.014 20 30 FIEDMN COc1ccc([C@H](C)NCc2ccc(C#N)cc2OC(F)F)cc1F ZINC000539377764 1111543164 /nfs/dbraw/zinc/54/31/64/1111543164.db2.gz WQCHXMCNUULRCX-NSHDSACASA-N 0 1 350.340 4.158 20 30 FIEDMN C=CCOc1ccc(CN[C@@H](C)c2ccc(NC(C)=O)cc2OC)cc1 ZINC000552091248 1111572069 /nfs/dbraw/zinc/57/20/69/1111572069.db2.gz GUFQQZMIHIXUSL-HNNXBMFYSA-N 0 1 354.450 4.069 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccnc(N(C)C)c3)n2)cc1 ZINC000478079534 1111672208 /nfs/dbraw/zinc/67/22/08/1111672208.db2.gz RGQNDZWIBRPIHX-INIZCTEOSA-N 0 1 362.458 4.070 20 30 FIEDMN N#Cc1cc(Cl)cc(Br)c1N1CC[C@H](N2CCCCC2)C1 ZINC000553055708 1111895031 /nfs/dbraw/zinc/89/50/31/1111895031.db2.gz XRMQHFCUABFAHP-AWEZNQCLSA-N 0 1 368.706 4.039 20 30 FIEDMN CC(C)[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000553063272 1111898118 /nfs/dbraw/zinc/89/81/18/1111898118.db2.gz JLLYSNDNKHUOGI-OAQYLSRUSA-N 0 1 371.431 4.198 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(OC)cc1F ZINC000479114296 1111947597 /nfs/dbraw/zinc/94/75/97/1111947597.db2.gz JDVSNYPTZBFJNX-UHFFFAOYSA-N 0 1 363.454 4.487 20 30 FIEDMN CC1(C)CCC[C@H](CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1 ZINC000479286315 1111982309 /nfs/dbraw/zinc/98/23/09/1111982309.db2.gz VJNFMOKEMNGJNE-HXUWFJFHSA-N 0 1 367.537 4.267 20 30 FIEDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)CCCCCC#N ZINC000898687367 1112381576 /nfs/dbraw/zinc/38/15/76/1112381576.db2.gz IBPOPYFLLNFOOS-UHFFFAOYSA-N 0 1 352.360 4.014 20 30 FIEDMN C=C(C)[C@H](N[C@@H](C)CC(=O)N1CCCCCC1)c1ccc(F)c(F)c1 ZINC000480658649 1112534312 /nfs/dbraw/zinc/53/43/12/1112534312.db2.gz BMDOUDLGVBSDJO-YWZLYKJASA-N 0 1 350.453 4.353 20 30 FIEDMN CC(C)=CCC[C@H](C)CCN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000482175111 1113192827 /nfs/dbraw/zinc/19/28/27/1113192827.db2.gz YURMJPOIBVBLOO-SVMVAKDDSA-N 0 1 351.494 4.104 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccncc2)s1)c1nccc2ccccc21 ZINC000483197730 1113462000 /nfs/dbraw/zinc/46/20/00/1113462000.db2.gz PSVIQINSRFNREB-INIZCTEOSA-N 0 1 356.410 4.243 20 30 FIEDMN N#C[C@H](C(=O)c1cnc(-c2ccncc2)s1)c1nccc2ccccc21 ZINC000483197730 1113462002 /nfs/dbraw/zinc/46/20/02/1113462002.db2.gz PSVIQINSRFNREB-INIZCTEOSA-N 0 1 356.410 4.243 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H](C)c2n[nH]c([C@H](C)CC)n2)ccc1OC ZINC000486723587 1113630100 /nfs/dbraw/zinc/63/01/00/1113630100.db2.gz RRLJKKIZRPVWSD-CABCVRRESA-N 0 1 358.486 4.133 20 30 FIEDMN C=C(C)COc1cc(CN[C@H](C)c2n[nH]c([C@H](C)CC)n2)ccc1OC ZINC000486723589 1113630230 /nfs/dbraw/zinc/63/02/30/1113630230.db2.gz RRLJKKIZRPVWSD-HUUCEWRRSA-N 0 1 358.486 4.133 20 30 FIEDMN COc1cccc(CN(Cc2ccc(C#N)c(C)c2)C[C@@H]2CCCO2)c1 ZINC000486729457 1113632233 /nfs/dbraw/zinc/63/22/33/1113632233.db2.gz LCHPPRCVXDEERZ-QFIPXVFZSA-N 0 1 350.462 4.057 20 30 FIEDMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2cccc(F)c2C#N)n1 ZINC000488247275 1113891989 /nfs/dbraw/zinc/89/19/89/1113891989.db2.gz VNOOCSAIQUSLKP-UHFFFAOYSA-N 0 1 374.828 4.437 20 30 FIEDMN C#CCCCCCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000911245456 1113959652 /nfs/dbraw/zinc/95/96/52/1113959652.db2.gz AZFXXHHHZOIBKX-FQEVSTJZSA-N 0 1 355.869 4.121 20 30 FIEDMN N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488900000 1114012726 /nfs/dbraw/zinc/01/27/26/1114012726.db2.gz IZPOPFVOCQJMNR-UHFFFAOYSA-N 0 1 356.360 4.493 20 30 FIEDMN Fc1ccc(Br)cc1C=NN=c1[nH]c2cc(F)c(F)cc2[nH]1 ZINC000912825376 1114216029 /nfs/dbraw/zinc/21/60/29/1114216029.db2.gz WGSPOPLCNFMEDT-UHFFFAOYSA-N 0 1 369.144 4.189 20 30 FIEDMN N#Cc1ccnc(N2CCN(Cc3ccc4oc5ccccc5c4c3)CC2)c1 ZINC000913037458 1114289365 /nfs/dbraw/zinc/28/93/65/1114289365.db2.gz HTRZMXGSCJRNDD-UHFFFAOYSA-N 0 1 368.440 4.175 20 30 FIEDMN CC(C)Oc1ccccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000055152070 1114421830 /nfs/dbraw/zinc/42/18/30/1114421830.db2.gz NWVGWLMNXFUGJW-HZPDHXFCSA-N 0 1 351.450 4.023 20 30 FIEDMN C=CCc1cc(CN(C)Cc2ccc(Br)o2)c(O)c(OC)c1 ZINC000164209444 1114443573 /nfs/dbraw/zinc/44/35/73/1114443573.db2.gz GTVSVLZVSXGCSQ-UHFFFAOYSA-N 0 1 366.255 4.117 20 30 FIEDMN CC(C)(C#N)c1ccc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000588208975 1114559121 /nfs/dbraw/zinc/55/91/21/1114559121.db2.gz MLHQMMQPMPSVGB-AZUAARDMSA-N 0 1 366.530 4.488 20 30 FIEDMN N#Cc1ccc(OC2CCN(CC3=Cc4ccccc4OC3)CC2)c(F)c1 ZINC000571961097 1114561924 /nfs/dbraw/zinc/56/19/24/1114561924.db2.gz VJIBCSVWSQMAKT-UHFFFAOYSA-N 0 1 364.420 4.017 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4ccc([N+](=O)[O-])c(C#N)c4)C3)[nH]c2c1 ZINC000589590781 1114813638 /nfs/dbraw/zinc/81/36/38/1114813638.db2.gz BORJKCNMHUSWEF-AWEZNQCLSA-N 0 1 361.405 4.035 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000589740127 1114837606 /nfs/dbraw/zinc/83/76/06/1114837606.db2.gz KNOZTBGZODPSIN-GOSISDBHSA-N 0 1 359.495 4.127 20 30 FIEDMN CC(C)(C)c1[nH]ncc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000590153391 1114901203 /nfs/dbraw/zinc/90/12/03/1114901203.db2.gz CMDURWQUUMTDAU-UHFFFAOYSA-N 0 1 374.444 4.410 20 30 FIEDMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000590153677 1114901271 /nfs/dbraw/zinc/90/12/71/1114901271.db2.gz QQNZIPGBNURRAG-UHFFFAOYSA-N 0 1 361.405 4.018 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000590240008 1114909897 /nfs/dbraw/zinc/90/98/97/1114909897.db2.gz MOJOKHPLHXIXKP-UHFFFAOYSA-N 0 1 373.441 4.427 20 30 FIEDMN CC1CCN([C@H](CNC(=O)C2(C#N)CCCCC2)c2cccs2)CC1 ZINC000057383273 1114923052 /nfs/dbraw/zinc/92/30/52/1114923052.db2.gz JVQPPLAZJMPSHP-QGZVFWFLSA-N 0 1 359.539 4.111 20 30 FIEDMN COc1ccc(CN2CC(Cc3ccc(F)cc3)C2)cc1OCCCC#N ZINC000590968481 1114998168 /nfs/dbraw/zinc/99/81/68/1114998168.db2.gz PYLOGVARFWHQHZ-UHFFFAOYSA-N 0 1 368.452 4.191 20 30 FIEDMN C[C@H]1Cc2c(C#N)c(NC(=O)c3ccc4cncn4c3)sc2[C@@H](C)C1 ZINC000590999667 1115007933 /nfs/dbraw/zinc/00/79/33/1115007933.db2.gz UMQQCOVOAZQIJK-NEPJUHHUSA-N 0 1 350.447 4.206 20 30 FIEDMN CC(C)(CCC#N)CNCc1c(F)c(F)c(Br)c(F)c1F ZINC000591641879 1115118907 /nfs/dbraw/zinc/11/89/07/1115118907.db2.gz NXETZEKQDRBZLF-UHFFFAOYSA-N 0 1 367.184 4.425 20 30 FIEDMN N#Cc1ccc(OC2CCN(Cc3ccc(-c4ccccn4)nc3)CC2)cc1 ZINC000591843280 1115153248 /nfs/dbraw/zinc/15/32/48/1115153248.db2.gz VXAOMQIIZJMCGG-UHFFFAOYSA-N 0 1 370.456 4.059 20 30 FIEDMN N#CCC1CCN(Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000592507436 1115238858 /nfs/dbraw/zinc/23/88/58/1115238858.db2.gz LPXGAHHOUXBVKY-UHFFFAOYSA-N 0 1 359.214 4.176 20 30 FIEDMN CN1CCN(CCOc2ccc(-c3cccc4c(C#N)cccc43)cc2)CC1 ZINC000592985883 1115278507 /nfs/dbraw/zinc/27/85/07/1115278507.db2.gz DPFSZOGYNIXYNL-UHFFFAOYSA-N 0 1 371.484 4.005 20 30 FIEDMN COc1ccc([C@@H](NCc2ccc(C#N)c(OC)c2)c2ccccc2)cc1 ZINC000574086302 1115285678 /nfs/dbraw/zinc/28/56/78/1115285678.db2.gz NOXDVDLMWJXBQZ-QHCPKHFHSA-N 0 1 358.441 4.455 20 30 FIEDMN N#C[C@H]1CC[C@@H](N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 ZINC000594043401 1115367024 /nfs/dbraw/zinc/36/70/24/1115367024.db2.gz MISAFCSWLSITFJ-NWDGAFQWSA-N 0 1 358.700 4.461 20 30 FIEDMN COc1ccc(Br)cc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594922518 1115489769 /nfs/dbraw/zinc/48/97/69/1115489769.db2.gz UWVCOMCUEBDQQH-UHFFFAOYSA-N 0 1 371.278 4.303 20 30 FIEDMN N#CC1(c2ccc(CN[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2)CC1 ZINC000594918809 1115489978 /nfs/dbraw/zinc/48/99/78/1115489978.db2.gz SRPCDAJCALGHOY-LEWJYISDSA-N 0 1 350.437 4.391 20 30 FIEDMN Cc1c(Br)cncc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594949735 1115502192 /nfs/dbraw/zinc/50/21/92/1115502192.db2.gz GHJBVRAEJUWKOL-UHFFFAOYSA-N 0 1 356.267 4.193 20 30 FIEDMN Cn1ncc(C2CC2)c1CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000594984506 1115505608 /nfs/dbraw/zinc/50/56/08/1115505608.db2.gz ITBOXNHJYLQDJR-UHFFFAOYSA-N 0 1 372.472 4.038 20 30 FIEDMN COc1ccccc1-c1cc(CNCc2ccc(C3(C#N)CC3)cc2)on1 ZINC000595009612 1115507819 /nfs/dbraw/zinc/50/78/19/1115507819.db2.gz YTILULYUHUFISV-UHFFFAOYSA-N 0 1 359.429 4.195 20 30 FIEDMN N#C[C@@H]1CCC[C@@H](NCc2cc(Cl)ccc2I)C1 ZINC000595056704 1115508124 /nfs/dbraw/zinc/50/81/24/1115508124.db2.gz QYVYALBQQKZOLS-ZWNOBZJWSA-N 0 1 374.653 4.117 20 30 FIEDMN Cc1nnc(-c2ccc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)cc2)o1 ZINC000574863733 1115514589 /nfs/dbraw/zinc/51/45/89/1115514589.db2.gz GQOIQOOSXIRZQR-AWEZNQCLSA-N 0 1 366.446 4.289 20 30 FIEDMN CCN(C(=O)CNC(C)(C)c1cccc(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000595641055 1115554338 /nfs/dbraw/zinc/55/43/38/1115554338.db2.gz YHLKXBZWIHEVDU-INIZCTEOSA-N 0 1 367.468 4.132 20 30 FIEDMN N#CCSc1ccccc1NC(=O)CN1CCCC2(CCCC2)CC1 ZINC000595641200 1115554368 /nfs/dbraw/zinc/55/43/68/1115554368.db2.gz DWJAKKKGYWVNSY-UHFFFAOYSA-N 0 1 357.523 4.287 20 30 FIEDMN CC(C)[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1F ZINC000595688766 1115556905 /nfs/dbraw/zinc/55/69/05/1115556905.db2.gz AAVZWOZADCXPQI-OAQYLSRUSA-N 0 1 353.441 4.059 20 30 FIEDMN CC(C)(C#N)c1ccc(CN2CC3(CCOCC3)[C@H]2c2ccco2)cc1 ZINC000595717524 1115558368 /nfs/dbraw/zinc/55/83/68/1115558368.db2.gz NSHBJDJHWDOBDK-HXUWFJFHSA-N 0 1 350.462 4.434 20 30 FIEDMN N#CCCCOc1cccc(CN[C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000596060246 1115572306 /nfs/dbraw/zinc/57/23/06/1115572306.db2.gz DBICHGPGSNQVHU-NRFANRHFSA-N 0 1 372.472 4.332 20 30 FIEDMN N#CC1(c2ccc(CN[C@H]3CCc4ccccc4-n4ccnc43)cc2)CC1 ZINC000596060100 1115572322 /nfs/dbraw/zinc/57/23/22/1115572322.db2.gz CDACQMCUBBXSEE-FQEVSTJZSA-N 0 1 354.457 4.205 20 30 FIEDMN N#CC1(c2ccc(CN3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)CC1 ZINC000596980942 1115631600 /nfs/dbraw/zinc/63/16/00/1115631600.db2.gz XVXDIKSXMYFAAG-UHFFFAOYSA-N 0 1 372.472 4.134 20 30 FIEDMN C=CCc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(Cl)s1 ZINC000060474407 1115645376 /nfs/dbraw/zinc/64/53/76/1115645376.db2.gz DYJQXGANGYJEFN-HNNXBMFYSA-N 0 1 351.899 4.002 20 30 FIEDMN Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC[C@H](CC#N)C1 ZINC000597177603 1115646627 /nfs/dbraw/zinc/64/66/27/1115646627.db2.gz QDHIBOMBYVYLRO-OAHLLOKOSA-N 0 1 373.298 4.069 20 30 FIEDMN CCC[C@H](NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C(C)(C)C ZINC000593412334 1115684084 /nfs/dbraw/zinc/68/40/84/1115684084.db2.gz NHNJTPRVQLRSQR-FQEVSTJZSA-N 0 1 370.541 4.037 20 30 FIEDMN N#CC[C@@H]1CCCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C1 ZINC000597906756 1115692450 /nfs/dbraw/zinc/69/24/50/1115692450.db2.gz YZZHICYDWGJVGJ-ZDUSSCGKSA-N 0 1 350.447 4.057 20 30 FIEDMN C[C@@H]1CCc2sc(NC(=O)c3ocnc3C(F)F)c(C#N)c2[C@@H]1C ZINC000602344911 1115697980 /nfs/dbraw/zinc/69/79/80/1115697980.db2.gz XJODDDFHHXGHFG-HTQZYQBOSA-N 0 1 351.378 4.483 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000593515971 1115710649 /nfs/dbraw/zinc/71/06/49/1115710649.db2.gz VFQCIXGZTRJNRU-UHFFFAOYSA-N 0 1 360.383 4.049 20 30 FIEDMN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C[C@H](O)CC(C)(C)C#N ZINC000598597944 1115739944 /nfs/dbraw/zinc/73/99/44/1115739944.db2.gz JXWWRQJXZXETAD-VQIMIIECSA-N 0 1 354.498 4.055 20 30 FIEDMN COc1ccc(CN2CC(C)(c3ccccc3)C2)cc1OCCCC#N ZINC000598677669 1115744102 /nfs/dbraw/zinc/74/41/02/1115744102.db2.gz RQAAOBOBMHYWLC-UHFFFAOYSA-N 0 1 350.462 4.151 20 30 FIEDMN N#Cc1ccc(C2(NCc3csc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000599005160 1115776708 /nfs/dbraw/zinc/77/67/08/1115776708.db2.gz KYZYEZYMPCICDE-UHFFFAOYSA-N 0 1 366.408 4.434 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000129968376 1115803886 /nfs/dbraw/zinc/80/38/86/1115803886.db2.gz JKIOFZCTKPJABB-OALUTQOASA-N 0 1 374.488 4.161 20 30 FIEDMN C[C@H]1CN(Cc2ccc(CNc3cccc(Cl)c3C#N)cc2)C[C@H](C)O1 ZINC000603852060 1115821623 /nfs/dbraw/zinc/82/16/23/1115821623.db2.gz IISQONIBYHORJB-HOTGVXAUSA-N 0 1 369.896 4.433 20 30 FIEDMN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000171366108 1115864115 /nfs/dbraw/zinc/86/41/15/1115864115.db2.gz AQOYCOYSBKZJNF-BZUAXINKSA-N 0 1 356.466 4.195 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3sccc3Br)[nH]c21 ZINC000605362366 1115891033 /nfs/dbraw/zinc/89/10/33/1115891033.db2.gz DEGRKDUKTWGKMG-VIFPVBQESA-N 0 1 360.236 4.185 20 30 FIEDMN N#Cc1c(CN2CCC(c3ccc4cccnc4n3)CC2)cn2ccccc12 ZINC000594021590 1115962567 /nfs/dbraw/zinc/96/25/67/1115962567.db2.gz WKHIESCZFRQTKY-UHFFFAOYSA-N 0 1 367.456 4.134 20 30 FIEDMN C#CCOc1ccc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000174002677 1116104349 /nfs/dbraw/zinc/10/43/49/1116104349.db2.gz KGXKWCFOPDVVTC-OAHLLOKOSA-N 0 1 366.829 4.452 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(CCCCC2)CC1 ZINC000608833396 1116130794 /nfs/dbraw/zinc/13/07/94/1116130794.db2.gz RXEOWIINVYPRPW-LJQANCHMSA-N 0 1 353.510 4.368 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000534837558 1116243094 /nfs/dbraw/zinc/24/30/94/1116243094.db2.gz NWZCRDUGIRSUSP-QZTJIDSGSA-N 0 1 369.452 4.043 20 30 FIEDMN N#CCCCCNc1ncccc1C1(C#N)CCN(Cc2ccccc2)CC1 ZINC001168427340 1116281346 /nfs/dbraw/zinc/28/13/46/1116281346.db2.gz LSXHORSAJHERFJ-UHFFFAOYSA-N 0 1 373.504 4.245 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1O ZINC000442734900 1116297993 /nfs/dbraw/zinc/29/79/93/1116297993.db2.gz FIHMTHMCPORDEI-UHFFFAOYSA-N 0 1 369.833 4.217 20 30 FIEDMN CCc1noc(CC)c1CC(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000088349627 1116323190 /nfs/dbraw/zinc/32/31/90/1116323190.db2.gz HYKCBICZGZOKJO-UHFFFAOYSA-N 0 1 359.817 4.069 20 30 FIEDMN Cc1ncc(CN2CC=C(c3ccc(C#N)cc3)CC2)n1-c1ccccc1 ZINC000539924191 1117758396 /nfs/dbraw/zinc/75/83/96/1117758396.db2.gz SPHHQSLXZWTSOO-UHFFFAOYSA-N 0 1 354.457 4.342 20 30 FIEDMN N#Cc1ccc(C2=CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC000539924262 1117758531 /nfs/dbraw/zinc/75/85/31/1117758531.db2.gz XVTAWMCOMPLEOY-UHFFFAOYSA-N 0 1 358.420 4.172 20 30 FIEDMN Cc1nc(C2CCCCC2)sc1C(=O)[C@H](C#N)c1cc(C)nc(C)n1 ZINC000540364923 1118015912 /nfs/dbraw/zinc/01/59/12/1118015912.db2.gz DXALSSBAHXSLPS-OAHLLOKOSA-N 0 1 354.479 4.396 20 30 FIEDMN Cc1nc(C2CCCCC2)sc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000540364923 1118015920 /nfs/dbraw/zinc/01/59/20/1118015920.db2.gz DXALSSBAHXSLPS-OAHLLOKOSA-N 0 1 354.479 4.396 20 30 FIEDMN CC(C)Sc1ccc([C@@H](C)NCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000540402334 1118034053 /nfs/dbraw/zinc/03/40/53/1118034053.db2.gz JTVBKNSZCGRJLJ-OAHLLOKOSA-N 0 1 353.491 4.348 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)cc1O ZINC000443350206 1118107259 /nfs/dbraw/zinc/10/72/59/1118107259.db2.gz WPMUEMTVDLGNGW-UHFFFAOYSA-N 0 1 362.360 4.234 20 30 FIEDMN OC[C@]1(Cc2ccccc2)CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000463443160 1118157446 /nfs/dbraw/zinc/15/74/46/1118157446.db2.gz ITCVWXHOLSBOEY-QFIPXVFZSA-N 0 1 353.893 4.009 20 30 FIEDMN C[C@@H](Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(C#N)c(F)c1 ZINC000540787111 1118247175 /nfs/dbraw/zinc/24/71/75/1118247175.db2.gz BSWSZOMLOQRXNN-IXDOHACOSA-N 0 1 367.468 4.480 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@H](c3ccccn3)C2)c(Br)c1 ZINC000595500080 1118333993 /nfs/dbraw/zinc/33/39/93/1118333993.db2.gz HYLAAYFONKXAHS-INIZCTEOSA-N 0 1 356.267 4.095 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541020061 1118356760 /nfs/dbraw/zinc/35/67/60/1118356760.db2.gz IHXMGAYFBGFYFG-SFHVURJKSA-N 0 1 362.395 4.330 20 30 FIEDMN CC(C)[C@@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1F ZINC000541061067 1118365329 /nfs/dbraw/zinc/36/53/29/1118365329.db2.gz VAKHPCXNMKGNOJ-IRWQIABSSA-N 0 1 367.896 4.209 20 30 FIEDMN C[C@@H](NCC(=O)NC1CCCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541083745 1118376217 /nfs/dbraw/zinc/37/62/17/1118376217.db2.gz BVTFLNYXUJKTFD-QGZVFWFLSA-N 0 1 361.489 4.325 20 30 FIEDMN COc1cc(CN[C@@H](C)c2cccnc2)ccc1OCc1cccc(C#N)c1 ZINC000541193523 1118414511 /nfs/dbraw/zinc/41/45/11/1118414511.db2.gz HPBYPEAOTNAPHL-KRWDZBQOSA-N 0 1 373.456 4.392 20 30 FIEDMN C=CCOc1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000464559873 1118602724 /nfs/dbraw/zinc/60/27/24/1118602724.db2.gz XBBKNUOMCZLJFO-UHFFFAOYSA-N 0 1 372.222 4.143 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CCc2cccs2)c1 ZINC000464763372 1118685687 /nfs/dbraw/zinc/68/56/87/1118685687.db2.gz OXOSLALLXKVPPY-SFHVURJKSA-N 0 1 369.534 4.175 20 30 FIEDMN Cc1cccc([C@H]2CCCCN2CC(=O)NCc2ccc(C#N)cc2)c1C ZINC000464772534 1118696972 /nfs/dbraw/zinc/69/69/72/1118696972.db2.gz HFAFNNNZECFBSC-JOCHJYFZSA-N 0 1 361.489 4.019 20 30 FIEDMN CC(C)c1ccc([C@H](NC(=O)CN2CCC(CC#N)CC2)C(C)C)cc1 ZINC000541948184 1118718134 /nfs/dbraw/zinc/71/81/34/1118718134.db2.gz HRAURYUYGCKNON-JOCHJYFZSA-N 0 1 355.526 4.249 20 30 FIEDMN CCSCC[C@H](C)N(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000464860420 1118727747 /nfs/dbraw/zinc/72/77/47/1118727747.db2.gz ZXNURVULDKUENJ-KRWDZBQOSA-N 0 1 361.555 4.014 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@@H]3CCC[C@H]3C2)c1C#N ZINC000464881189 1118730867 /nfs/dbraw/zinc/73/08/67/1118730867.db2.gz AFHDOPBETITKDU-ROUUACIJSA-N 0 1 368.525 4.152 20 30 FIEDMN Cc1cc(C)cc([C@@H]2CCN(CC(=O)N(CCC#N)c3ccccc3)C2)c1 ZINC000542317121 1118900193 /nfs/dbraw/zinc/90/01/93/1118900193.db2.gz AFHCXAREABTMJB-HXUWFJFHSA-N 0 1 361.489 4.040 20 30 FIEDMN N#CCc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000029967016 1118957506 /nfs/dbraw/zinc/95/75/06/1118957506.db2.gz RAVVUKGGVNMBMX-UHFFFAOYSA-N 0 1 374.771 4.226 20 30 FIEDMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000173375168 1119036494 /nfs/dbraw/zinc/03/64/94/1119036494.db2.gz LYQNWONMYQKLSN-UHFFFAOYSA-N 0 1 360.417 4.139 20 30 FIEDMN CCSCC[C@H](C)N(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174882805 1119158939 /nfs/dbraw/zinc/15/89/39/1119158939.db2.gz HBLFOKLDYAOMSG-INIZCTEOSA-N 0 1 357.523 4.201 20 30 FIEDMN C=CCC1(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000189873345 1119919398 /nfs/dbraw/zinc/91/93/98/1119919398.db2.gz IDMFCWZIZZFTKJ-YJBOKZPZSA-N 0 1 364.892 4.335 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000191467732 1119978740 /nfs/dbraw/zinc/97/87/40/1119978740.db2.gz JGHZWWAFODMCHL-QZTJIDSGSA-N 0 1 373.541 4.159 20 30 FIEDMN Cc1nc(CN=Nc2ncc(C(F)(F)F)cc2Cl)c2ccccn12 ZINC000914601425 1120407692 /nfs/dbraw/zinc/40/76/92/1120407692.db2.gz PLQNKWBZOOCPRZ-UHFFFAOYSA-N 0 1 353.735 4.156 20 30 FIEDMN C=C[C@H](C(=O)Nc1ccc(CN2CCSCC2)cc1C)c1ccccc1 ZINC001626016376 1120439071 /nfs/dbraw/zinc/43/90/71/1120439071.db2.gz VAGYFFMXZZICHO-FQEVSTJZSA-N 0 1 366.530 4.452 20 30 FIEDMN CC(C)(C)OC(=O)N1CCCc2cccc(CN=Nc3ccccn3)c21 ZINC000761801774 1120449941 /nfs/dbraw/zinc/44/99/41/1120449941.db2.gz PHDYUQOBQFNBOF-UHFFFAOYSA-N 0 1 352.438 4.215 20 30 FIEDMN C=CCOc1ccc(CN(CC(=O)Nc2ccc(O)cc2)C(C)(C)C)cc1 ZINC000762061971 1120680739 /nfs/dbraw/zinc/68/07/39/1120680739.db2.gz SWYFBRUDZLHCDN-UHFFFAOYSA-N 0 1 368.477 4.196 20 30 FIEDMN CC(=NNc1nc2ccccc2s1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000915047533 1120755349 /nfs/dbraw/zinc/75/53/49/1120755349.db2.gz VQAMKYIJVBGNSH-UHFFFAOYSA-N 0 1 365.462 4.416 20 30 FIEDMN CC(=[NH+][N-]c1nc2ccccc2s1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000915047533 1120755355 /nfs/dbraw/zinc/75/53/55/1120755355.db2.gz VQAMKYIJVBGNSH-UHFFFAOYSA-N 0 1 365.462 4.416 20 30 FIEDMN N#C[C@@H](C(=O)[C@H]1Cc2ccccc2S1)c1nc2ccccc2n1C(F)F ZINC000915104135 1120812817 /nfs/dbraw/zinc/81/28/17/1120812817.db2.gz LXKNGHNLHILXCJ-BLLLJJGKSA-N 0 1 369.396 4.325 20 30 FIEDMN COc1cccc(/C=N\C[C@H](c2cccc(Cl)c2)N2CCCC2)c1O ZINC000915113477 1120821203 /nfs/dbraw/zinc/82/12/03/1120821203.db2.gz WOUDWYNRHRQDTM-QLTNSANVSA-N 0 1 358.869 4.310 20 30 FIEDMN CC(=Cc1ccc(-c2cccs2)cc1F)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193609272 1120981855 /nfs/dbraw/zinc/98/18/55/1120981855.db2.gz OFFWMQCOOSJGFT-FLIBITNWSA-N 0 1 351.406 4.378 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N(C)CC(C)(C)c2ccc(C)cc2)c(C#N)c1C ZINC000444167005 1120993868 /nfs/dbraw/zinc/99/38/68/1120993868.db2.gz CVHSNHOTIITXBS-MRXNPFEDSA-N 0 1 367.493 4.313 20 30 FIEDMN C=CCCCCCN(C)C(=O)Nc1ccccc1N1CCN(CC)CC1 ZINC000153294644 1121077235 /nfs/dbraw/zinc/07/72/35/1121077235.db2.gz UYLJQZJMVZGLSS-UHFFFAOYSA-N 0 1 358.530 4.039 20 30 FIEDMN N#Cc1cccc(CN[C@H]2CCCOc3cc(Br)ccc32)c1 ZINC000193872039 1121159268 /nfs/dbraw/zinc/15/92/68/1121159268.db2.gz QNWPSHLUEKKDQY-KRWDZBQOSA-N 0 1 357.251 4.324 20 30 FIEDMN Clc1ccc(CN2CCC(N=Nc3ncnc4sccc43)CC2)cc1 ZINC000915954778 1121352595 /nfs/dbraw/zinc/35/25/95/1121352595.db2.gz LQNNMSZRYZAOCC-UHFFFAOYSA-N 0 1 371.897 4.409 20 30 FIEDMN Cc1cc(NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)nc(C)n1 ZINC000915968037 1121356996 /nfs/dbraw/zinc/35/69/96/1121356996.db2.gz OZJLKXVFONXTLK-UHFFFAOYSA-N 0 1 353.407 4.176 20 30 FIEDMN O=C(/C=C/c1ccc2ccccc2c1)c1ccc(O)c(CN2CCOCC2)c1 ZINC000916129964 1121419348 /nfs/dbraw/zinc/41/93/48/1121419348.db2.gz DJCMRVGTZSLYST-RMKNXTFCSA-N 0 1 373.452 4.274 20 30 FIEDMN CCCCN([O-])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001649061743 1121450681 /nfs/dbraw/zinc/45/06/81/1121450681.db2.gz WZRXVXWPGMSCOK-FCHUYYIVSA-N 0 1 366.505 4.229 20 30 FIEDMN CCCCN([O-])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001649061743 1121450685 /nfs/dbraw/zinc/45/06/85/1121450685.db2.gz WZRXVXWPGMSCOK-FCHUYYIVSA-N 0 1 366.505 4.229 20 30 FIEDMN O=[N+]([O-])c1cc(CN=Nc2ncnc3sc4c(c32)CCC4)ccc1Cl ZINC000916310571 1121470447 /nfs/dbraw/zinc/47/04/47/1121470447.db2.gz ZIQUZACMYLYWRR-UHFFFAOYSA-N 0 1 373.825 4.188 20 30 FIEDMN N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)o1 ZINC000130458638 1121583450 /nfs/dbraw/zinc/58/34/50/1121583450.db2.gz WBOYCGGERUBFMV-SNVBAGLBSA-N 0 1 357.580 4.201 20 30 FIEDMN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)o1 ZINC000130458638 1121583459 /nfs/dbraw/zinc/58/34/59/1121583459.db2.gz WBOYCGGERUBFMV-SNVBAGLBSA-N 0 1 357.580 4.201 20 30 FIEDMN C=C[C@@H](CC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1ccccc1 ZINC000125167161 1121751961 /nfs/dbraw/zinc/75/19/61/1121751961.db2.gz VSSXBVAWQKDKRV-AZUAARDMSA-N 0 1 352.478 4.201 20 30 FIEDMN CC(C)Oc1cc(F)c(F)cc1Nc1sc2c(c1C#N)CCN(C)C2 ZINC001212222083 1122101325 /nfs/dbraw/zinc/10/13/25/1122101325.db2.gz GLFJFCQYBRFOMF-UHFFFAOYSA-N 0 1 363.433 4.417 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H](C)c4cccc(C#N)c4)C3)[nH]c2c1 ZINC000462012250 1122123161 /nfs/dbraw/zinc/12/31/61/1122123161.db2.gz CENFJMPOEHJPAS-QFBILLFUSA-N 0 1 372.472 4.253 20 30 FIEDMN COc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1Cl ZINC000497360559 1122146354 /nfs/dbraw/zinc/14/63/54/1122146354.db2.gz DMHRQQQXPRBGCO-ZDUSSCGKSA-N 0 1 369.833 4.357 20 30 FIEDMN COCCOc1cccc(C=CC(=O)c2[nH]c(-c3ccccc3)nc2C)c1 ZINC000917145569 1122203457 /nfs/dbraw/zinc/20/34/57/1122203457.db2.gz OEKAWRCYWWJCAM-QXMHVHEDSA-N 0 1 362.429 4.306 20 30 FIEDMN CC(C)(C)c1ccc(NN=Cc2cc(F)ccc2Br)nn1 ZINC001116402248 1122254061 /nfs/dbraw/zinc/25/40/61/1122254061.db2.gz OTNQDELNUJFJKA-UHFFFAOYSA-N 0 1 351.223 4.122 20 30 FIEDMN CC(C)Oc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000056170576 1122297138 /nfs/dbraw/zinc/29/71/38/1122297138.db2.gz LXGBJILNJHYWEV-HZPDHXFCSA-N 0 1 351.450 4.023 20 30 FIEDMN CCN(CC(=O)N[C@@H](c1ccccc1)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000497594126 1122302826 /nfs/dbraw/zinc/30/28/26/1122302826.db2.gz QKGINSUQURTSMK-WZONZLPQSA-N 0 1 363.505 4.455 20 30 FIEDMN Fc1cc(-c2cccs2)ccc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000917534453 1122351326 /nfs/dbraw/zinc/35/13/26/1122351326.db2.gz JCWKFMPVAMPVAU-UHFFFAOYSA-N 0 1 372.372 4.335 20 30 FIEDMN CCOc1ccc(/C=N/C2CCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC000917556702 1122360057 /nfs/dbraw/zinc/36/00/57/1122360057.db2.gz IUBTVBSNYLBGJQ-OEAKJJBVSA-N 0 1 356.441 4.014 20 30 FIEDMN CCOc1ccc(/C=N\C2CCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC000917556703 1122360268 /nfs/dbraw/zinc/36/02/68/1122360268.db2.gz IUBTVBSNYLBGJQ-UCQKPKSFSA-N 0 1 356.441 4.014 20 30 FIEDMN Cc1c(S(=O)(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2n1C ZINC000556346033 1122825831 /nfs/dbraw/zinc/82/58/31/1122825831.db2.gz DNNNSNWMIIRYGX-UHFFFAOYSA-N 0 1 367.474 4.089 20 30 FIEDMN CC(C)CCN(CCC#N)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000072692230 1123124840 /nfs/dbraw/zinc/12/48/40/1123124840.db2.gz PINYEWMCOJZSTM-UHFFFAOYSA-N 0 1 372.538 4.089 20 30 FIEDMN CC(C)(C)c1ncc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000920323178 1123443575 /nfs/dbraw/zinc/44/35/75/1123443575.db2.gz FSHHDLOTPDRKSY-JTQLQIEISA-N 0 1 361.854 4.055 20 30 FIEDMN CC(C)(C)c1ncc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000920323178 1123443578 /nfs/dbraw/zinc/44/35/78/1123443578.db2.gz FSHHDLOTPDRKSY-JTQLQIEISA-N 0 1 361.854 4.055 20 30 FIEDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1csc(C2CC2)n1 ZINC000920359122 1123447261 /nfs/dbraw/zinc/44/72/61/1123447261.db2.gz SQWXYDUWVXGITE-UHFFFAOYSA-N 0 1 356.329 4.394 20 30 FIEDMN CCCN(C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000609316257 1123454828 /nfs/dbraw/zinc/45/48/28/1123454828.db2.gz KTBBGDOZHAYCSW-UHFFFAOYSA-N 0 1 371.868 4.071 20 30 FIEDMN O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(F)(F)c1ccc(F)cc1 ZINC000920845716 1123528571 /nfs/dbraw/zinc/52/85/71/1123528571.db2.gz SZKINRIXGOKKKA-UHFFFAOYSA-N 0 1 371.280 4.104 20 30 FIEDMN C=CCOc1ccc(CNCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000920956720 1123542251 /nfs/dbraw/zinc/54/22/51/1123542251.db2.gz YMBFBKCPJYXNQQ-UHFFFAOYSA-N 0 1 365.260 4.287 20 30 FIEDMN CCOc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1OCC ZINC000920986218 1123548938 /nfs/dbraw/zinc/54/89/38/1123548938.db2.gz FJALGPNJMWDWJZ-UHFFFAOYSA-N 0 1 353.344 4.344 20 30 FIEDMN Cc1ncc(CNCC#Cc2ccc(C(F)(F)F)cc2)n1-c1ccccc1 ZINC000237784911 1123657625 /nfs/dbraw/zinc/65/76/25/1123657625.db2.gz SNSVFSQWBIYFHE-UHFFFAOYSA-N 0 1 369.390 4.341 20 30 FIEDMN N#Cc1ccc(N2CCC[C@H](NCc3c(F)cccc3Cl)C2)c(F)c1 ZINC000609466619 1123722137 /nfs/dbraw/zinc/72/21/37/1123722137.db2.gz UVKXUJCZOODTKV-AWEZNQCLSA-N 0 1 361.823 4.248 20 30 FIEDMN Cc1ccc([C@H]2[C@H](C)CCCN2CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000610004220 1123914800 /nfs/dbraw/zinc/91/48/00/1123914800.db2.gz FLFAQHRDOKCVQD-WIYYLYMNSA-N 0 1 353.510 4.111 20 30 FIEDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3SCCc4sccc43)n2)cc1 ZINC000080206795 1123958119 /nfs/dbraw/zinc/95/81/19/1123958119.db2.gz LHGSGMCJXNXBEA-CQSZACIVSA-N 0 1 356.476 4.460 20 30 FIEDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3SCCc4sccc43)n2)cc1 ZINC000080206794 1123958219 /nfs/dbraw/zinc/95/82/19/1123958219.db2.gz LHGSGMCJXNXBEA-AWEZNQCLSA-N 0 1 356.476 4.460 20 30 FIEDMN CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2OC[C@H]2CCCO2)n1 ZINC000080449698 1123965856 /nfs/dbraw/zinc/96/58/56/1123965856.db2.gz BYCVIGRDPMZKGX-GDBMZVCRSA-N 0 1 370.474 4.314 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccccc2OC[C@H]2CCCO2)n1 ZINC000080449698 1123965857 /nfs/dbraw/zinc/96/58/57/1123965857.db2.gz BYCVIGRDPMZKGX-GDBMZVCRSA-N 0 1 370.474 4.314 20 30 FIEDMN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000067895419 1123982928 /nfs/dbraw/zinc/98/29/28/1123982928.db2.gz NQNFOHZNIUVSGH-NSHDSACASA-N 0 1 369.229 4.117 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000067895419 1123982930 /nfs/dbraw/zinc/98/29/30/1123982930.db2.gz NQNFOHZNIUVSGH-NSHDSACASA-N 0 1 369.229 4.117 20 30 FIEDMN C[C@H](CN(C)Cc1ccnc(C#N)c1)Oc1ccc(Cl)c(Cl)c1 ZINC000615808578 1124124147 /nfs/dbraw/zinc/12/41/47/1124124147.db2.gz KXHWWPLEPKPSGY-GFCCVEGCSA-N 0 1 350.249 4.159 20 30 FIEDMN N#CC(C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000179965739 1124174773 /nfs/dbraw/zinc/17/47/73/1124174773.db2.gz JAIWZNAFJXMGMX-QGZVFWFLSA-N 0 1 370.437 4.250 20 30 FIEDMN N#CCCn1cc(CN2CCS[C@@H]3CCCC[C@H]32)c(-c2ccccc2)n1 ZINC000245700294 1124209223 /nfs/dbraw/zinc/20/92/23/1124209223.db2.gz DBONWEVCINNUPC-WOJBJXKFSA-N 0 1 366.534 4.324 20 30 FIEDMN Cc1ccc([C@H](CNc2nc(C(F)(F)F)ccc2C#N)N2CCCC2)o1 ZINC000301309686 1124214306 /nfs/dbraw/zinc/21/43/06/1124214306.db2.gz XXFTTWLYQWXGHV-AWEZNQCLSA-N 0 1 364.371 4.123 20 30 FIEDMN CN1CC[C@H](Nc2ccc3cc(C#N)ccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000302829948 1124356528 /nfs/dbraw/zinc/35/65/28/1124356528.db2.gz PRJMPDLTMFBNAW-PZJWPPBQSA-N 0 1 364.399 4.242 20 30 FIEDMN N#Cc1cccc(C#N)c1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000302878319 1124362626 /nfs/dbraw/zinc/36/26/26/1124362626.db2.gz GZUGSDALUILBLM-SFHVURJKSA-N 0 1 370.378 4.135 20 30 FIEDMN CCCCc1nc2ccc(NC(=O)[C@H](C)Oc3ccccc3C#N)cc2[nH]1 ZINC000109003140 1124432730 /nfs/dbraw/zinc/43/27/30/1124432730.db2.gz GZVQEPFBRNIFON-AWEZNQCLSA-N 0 1 362.433 4.183 20 30 FIEDMN C[C@H](NCC(=O)N1CC[C@H](C)Sc2ccccc21)c1ccc(C#N)cc1 ZINC000554841028 1124533580 /nfs/dbraw/zinc/53/35/80/1124533580.db2.gz MUYKQSFAYBUYBU-HOTGVXAUSA-N 0 1 365.502 4.126 20 30 FIEDMN CSCC[C@H](C)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000246618770 1124541745 /nfs/dbraw/zinc/54/17/45/1124541745.db2.gz GCIFSMCYDUSQRE-LSDHHAIUSA-N 0 1 365.568 4.093 20 30 FIEDMN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNCc2csc(C#N)c2)cc1 ZINC000921851237 1124831692 /nfs/dbraw/zinc/83/16/92/1124831692.db2.gz MFJCNDDEXWHTQQ-AWEZNQCLSA-N 0 1 371.506 4.495 20 30 FIEDMN COc1ccccc1[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)N(C)C ZINC000111104405 1124841629 /nfs/dbraw/zinc/84/16/29/1124841629.db2.gz JYCMIFFTNNTADO-KRWDZBQOSA-N 0 1 363.383 4.300 20 30 FIEDMN CN1CCc2c(C#N)c(Nc3cc(F)c(OC(F)F)c(F)c3)sc2C1 ZINC001212445475 1124880926 /nfs/dbraw/zinc/88/09/26/1124880926.db2.gz RFFUZFLZROGARQ-UHFFFAOYSA-N 0 1 371.359 4.231 20 30 FIEDMN CC(C)[C@@](C)(C#N)NC(=O)CN([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000250689618 1124925817 /nfs/dbraw/zinc/92/58/17/1124925817.db2.gz JAQFJPUIARPTIJ-UZUQRXQVSA-N 0 1 363.505 4.420 20 30 FIEDMN N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccccn1 ZINC000091438974 1125073005 /nfs/dbraw/zinc/07/30/05/1125073005.db2.gz CYROOYOMWXAGTN-LBPRGKRZSA-N 0 1 357.200 4.064 20 30 FIEDMN N#CC(C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccccn1 ZINC000091438974 1125073013 /nfs/dbraw/zinc/07/30/13/1125073013.db2.gz CYROOYOMWXAGTN-LBPRGKRZSA-N 0 1 357.200 4.064 20 30 FIEDMN C[C@H](c1ccccc1)N(CC(=O)Nc1sccc1C#N)CC1CCC1 ZINC000077372383 1125184769 /nfs/dbraw/zinc/18/47/69/1125184769.db2.gz ODNMGDUWPXRYIP-OAHLLOKOSA-N 0 1 353.491 4.422 20 30 FIEDMN N#Cc1cc(Cl)cc(Br)c1N1CCC(c2ccn[nH]2)CC1 ZINC000618896919 1125314029 /nfs/dbraw/zinc/31/40/29/1125314029.db2.gz MTXZRHYOSUSPRH-UHFFFAOYSA-N 0 1 365.662 4.081 20 30 FIEDMN Cc1nc(-c2ccccc2)sc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122209546 209358629 /nfs/dbraw/zinc/35/86/29/209358629.db2.gz XANHHGUYXQOIBO-HNNXBMFYSA-N 0 1 372.453 4.495 20 30 FIEDMN CC[C@@H]1[C@H](C)CCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000481370225 567822285 /nfs/dbraw/zinc/82/22/85/567822285.db2.gz ITBJCPVQQLAHLS-AUUYWEPGSA-N 0 1 356.514 4.151 20 30 FIEDMN CC(=O)N(c1nc(CNCC(C)(C)CCC#N)cs1)c1ccccc1 ZINC000602661674 568012489 /nfs/dbraw/zinc/01/24/89/568012489.db2.gz HVTYGADTSONTCX-UHFFFAOYSA-N 0 1 356.495 4.247 20 30 FIEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1cc(F)c(C(F)(F)F)cc1F ZINC000602665398 568013352 /nfs/dbraw/zinc/01/33/52/568013352.db2.gz ISRASBVJIAHXDF-NSHDSACASA-N 0 1 362.342 4.172 20 30 FIEDMN COc1cc2c(cc1CN[C@@H]1CCCCc3cc(C#N)ccc31)O[C@H](C)C2 ZINC000481918003 568183560 /nfs/dbraw/zinc/18/35/60/568183560.db2.gz QECXAXAIPMOZAM-QVKFZJNVSA-N 0 1 362.473 4.448 20 30 FIEDMN CCCCc1ccc(C(=O)C(C#N)c2nc(C(=O)OCC)cs2)cc1 ZINC000604433389 568286744 /nfs/dbraw/zinc/28/67/44/568286744.db2.gz QHIXAWOZQOGQMD-OAHLLOKOSA-N 0 1 356.447 4.152 20 30 FIEDMN CCCCc1ccc(C(=O)[C@@H](C#N)c2nc(C(=O)OCC)cs2)cc1 ZINC000604433389 568286746 /nfs/dbraw/zinc/28/67/46/568286746.db2.gz QHIXAWOZQOGQMD-OAHLLOKOSA-N 0 1 356.447 4.152 20 30 FIEDMN C=CCOc1ccc(CN[C@](C)(CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000604767639 568362396 /nfs/dbraw/zinc/36/23/96/568362396.db2.gz SANFVFUFGRZKJL-LJQANCHMSA-N 0 1 365.395 4.268 20 30 FIEDMN N#Cc1csc(CNCC2(c3cccc(C(F)(F)F)c3)CCC2)n1 ZINC000570250442 568466418 /nfs/dbraw/zinc/46/64/18/568466418.db2.gz QNUHDKKAFIXEGE-UHFFFAOYSA-N 0 1 351.397 4.245 20 30 FIEDMN CN(Cc1ccc(C#N)cc1)c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001165018281 721836875 /nfs/dbraw/zinc/83/68/75/721836875.db2.gz VULLYXQWYCPSHI-UHFFFAOYSA-N 0 1 368.484 4.148 20 30 FIEDMN CCN(CC)C(=O)CCC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000182566589 1125560487 /nfs/dbraw/zinc/56/04/87/1125560487.db2.gz VMMTYRYRLNLBKO-UHFFFAOYSA-N 0 1 360.929 4.052 20 30 FIEDMN CCN(CC)C(=O)CCC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000182572859 1125560535 /nfs/dbraw/zinc/56/05/35/1125560535.db2.gz YBZNRHWBHKGTTD-UHFFFAOYSA-N 0 1 360.929 4.052 20 30 FIEDMN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763556933 1125564667 /nfs/dbraw/zinc/56/46/67/1125564667.db2.gz MGNNNBIVQFIJBC-FGZHOGPDSA-N 0 1 374.488 4.359 20 30 FIEDMN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000763556938 1125565232 /nfs/dbraw/zinc/56/52/32/1125565232.db2.gz MGNNNBIVQFIJBC-YADHBBJMSA-N 0 1 374.488 4.359 20 30 FIEDMN COc1ccc2oc([C@@H](C)NCc3ccc(C#N)c(OC)c3)c(C)c2c1 ZINC000619653854 1125647691 /nfs/dbraw/zinc/64/76/91/1125647691.db2.gz JJEWWIVSVIRVLS-CQSZACIVSA-N 0 1 350.418 4.481 20 30 FIEDMN CC(C)(C#N)c1ccc(CN[C@H](Cn2ccccc2=O)c2ccccc2)cc1 ZINC000619725014 1125670686 /nfs/dbraw/zinc/67/06/86/1125670686.db2.gz SIJRJTLJMMHMOZ-JOCHJYFZSA-N 0 1 371.484 4.181 20 30 FIEDMN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(Br)cn1 ZINC000619755030 1125680821 /nfs/dbraw/zinc/68/08/21/1125680821.db2.gz RDGTWKLIHOMQEU-JTQLQIEISA-N 0 1 350.647 4.220 20 30 FIEDMN COc1cc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc(OC)c1OC ZINC000619755299 1125681153 /nfs/dbraw/zinc/68/11/53/1125681153.db2.gz WESBGIXORGFRAR-GFCCVEGCSA-N 0 1 360.841 4.088 20 30 FIEDMN COc1ccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)cc1NC(C)=O ZINC000619755742 1125682099 /nfs/dbraw/zinc/68/20/99/1125682099.db2.gz QZWIYKQBLPBCHL-LBPRGKRZSA-N 0 1 357.841 4.029 20 30 FIEDMN Cc1cc(NCc2ccc(C#N)c(Cl)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000619746729 1125690212 /nfs/dbraw/zinc/69/02/12/1125690212.db2.gz LJYUXYFVLHZNAL-UHFFFAOYSA-N 0 1 352.781 4.011 20 30 FIEDMN C=C(C)COc1cc(CNCc2ccc(C#N)c(Cl)c2)ccc1OC ZINC000619749014 1125691482 /nfs/dbraw/zinc/69/14/82/1125691482.db2.gz WMDSRIITIKEJJX-UHFFFAOYSA-N 0 1 356.853 4.465 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(C4CC4)n(C(C)(C)C)n3)[nH]c21 ZINC000605362647 1079767453 /nfs/dbraw/zinc/76/74/53/1079767453.db2.gz OCPBKMOOJOAQFT-AWEZNQCLSA-N 0 1 361.449 4.190 20 30 FIEDMN Cc1nc(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)[nH]c1-c1ccccc1 ZINC000187132833 1079910675 /nfs/dbraw/zinc/91/06/75/1079910675.db2.gz SWLNXXTWIGTGNC-SFHVURJKSA-N 0 1 374.469 4.154 20 30 FIEDMN Cc1ccc([C@H]2CCCCN2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000610215266 1079982250 /nfs/dbraw/zinc/98/22/50/1079982250.db2.gz NUXVQPRPOGRLKX-JOCHJYFZSA-N 0 1 361.489 4.469 20 30 FIEDMN COc1ccc(CN(C)Cc2cccc(OCCCC#N)c2)c(OC)c1 ZINC000179617161 1080213268 /nfs/dbraw/zinc/21/32/68/1080213268.db2.gz UQWIAPUZFGNNRH-UHFFFAOYSA-N 0 1 354.450 4.018 20 30 FIEDMN N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000134715772 1080350947 /nfs/dbraw/zinc/35/09/47/1080350947.db2.gz RHQXUZCDGSDEND-QGZVFWFLSA-N 0 1 358.401 4.132 20 30 FIEDMN C=CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000179987631 1080401358 /nfs/dbraw/zinc/40/13/58/1080401358.db2.gz NWSGRAORJFTBCL-UHFFFAOYSA-N 0 1 367.456 4.019 20 30 FIEDMN N#Cc1ccc(NC(=O)c2ccc(CN3CCSCC3)cc2)c(Cl)c1 ZINC000430366775 1080799546 /nfs/dbraw/zinc/79/95/46/1080799546.db2.gz KGTBWDQLBPDTGD-UHFFFAOYSA-N 0 1 371.893 4.013 20 30 FIEDMN CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(C#N)cc1 ZINC000083169638 1081265000 /nfs/dbraw/zinc/26/50/00/1081265000.db2.gz WIEQOPVWKNTDND-UHFFFAOYSA-N 0 1 350.378 4.018 20 30 FIEDMN CC(C)N(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(C#N)cc1 ZINC000083169638 1081265004 /nfs/dbraw/zinc/26/50/04/1081265004.db2.gz WIEQOPVWKNTDND-UHFFFAOYSA-N 0 1 350.378 4.018 20 30 FIEDMN Cc1ccc(C(=O)Nc2cccc(CNCc3csc(C#N)c3)c2)cc1 ZINC001648878513 1081338994 /nfs/dbraw/zinc/33/89/94/1081338994.db2.gz CJZWAQVDJYXZSI-UHFFFAOYSA-N 0 1 361.470 4.470 20 30 FIEDMN Cc1ccc(C(=O)Nc2cccc(CNCc3cc(C#N)cs3)c2)cc1 ZINC000177687583 1081529370 /nfs/dbraw/zinc/52/93/70/1081529370.db2.gz RRQSTZMLTRIFBD-UHFFFAOYSA-N 0 1 361.470 4.470 20 30 FIEDMN CC1(C)Oc2ccsc2[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)[C@@H]1O ZINC000580048749 1081555956 /nfs/dbraw/zinc/55/59/56/1081555956.db2.gz KPDUIJLXJUXPMB-POAQFYNOSA-N 0 1 368.502 4.250 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000610388515 1081712915 /nfs/dbraw/zinc/71/29/15/1081712915.db2.gz RGUBNXGJQGYJCS-UHFFFAOYSA-N 0 1 365.355 4.264 20 30 FIEDMN COC(=O)COc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 ZINC000255180440 1081754300 /nfs/dbraw/zinc/75/43/00/1081754300.db2.gz SQFHNFDEYKLXRI-UHFFFAOYSA-N 0 1 354.189 4.001 20 30 FIEDMN N#Cc1cccc(OC2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000255373119 1081832646 /nfs/dbraw/zinc/83/26/46/1081832646.db2.gz YUTXBFBTERRPNQ-DAXSKMNVSA-N 0 1 363.417 4.023 20 30 FIEDMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000127559650 1082226026 /nfs/dbraw/zinc/22/60/26/1082226026.db2.gz KIYFUPOSEOVIFI-KBPBESRZSA-N 0 1 371.868 4.207 20 30 FIEDMN CCN(C[C@H](C)C#N)C(=O)CN(CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000255959714 1082301769 /nfs/dbraw/zinc/30/17/69/1082301769.db2.gz CQVRKVGEONAMCS-HUUCEWRRSA-N 0 1 369.431 4.096 20 30 FIEDMN COc1ccc(CN[C@@H]2CCOc3ccc(F)cc32)cc1OCCCC#N ZINC000068985427 1082499807 /nfs/dbraw/zinc/49/98/07/1082499807.db2.gz BVXWMDGONALVTA-GOSISDBHSA-N 0 1 370.424 4.130 20 30 FIEDMN C[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1cc(F)c(Cl)cc1Cl ZINC000177986856 1082521913 /nfs/dbraw/zinc/52/19/13/1082521913.db2.gz QSEHEGSBKJKJEX-BTDLBPIBSA-N 0 1 353.224 4.388 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN[C@H](CO)c1ccccc1C(F)(F)F ZINC000933245888 1082530486 /nfs/dbraw/zinc/53/04/86/1082530486.db2.gz LHJUUJMKRAVVFK-GOSISDBHSA-N 0 1 362.395 4.330 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnn(CCC(F)(F)F)c2)s1 ZINC000430607805 1082621020 /nfs/dbraw/zinc/62/10/20/1082621020.db2.gz ZRBDMVMQIDMIEA-NSHDSACASA-N 0 1 370.400 4.080 20 30 FIEDMN C#CCOc1ccc([C@@H](C)NCc2cccc(C(=O)N[C@H](C)CC)c2)cc1 ZINC000161074085 1083075608 /nfs/dbraw/zinc/07/56/08/1083075608.db2.gz NTIRLZOYPYIYCO-QZTJIDSGSA-N 0 1 364.489 4.078 20 30 FIEDMN N#Cc1ccccc1NC(=O)CCN1CC=C(c2ccccc2Cl)CC1 ZINC000091841516 1083300756 /nfs/dbraw/zinc/30/07/56/1083300756.db2.gz QSIHHODPMPOJKC-UHFFFAOYSA-N 0 1 365.864 4.330 20 30 FIEDMN N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCc4[nH]ncc43)cc2)c1 ZINC000135440993 1083310554 /nfs/dbraw/zinc/31/05/54/1083310554.db2.gz NEMKIZMGEWRDSH-SFHVURJKSA-N 0 1 358.401 4.132 20 30 FIEDMN CC(C)CCN1Cc2cccc(NC(=O)Cc3c(F)cccc3C#N)c2C1 ZINC000510815493 1083326497 /nfs/dbraw/zinc/32/64/97/1083326497.db2.gz QTDURMYHKFXGLC-UHFFFAOYSA-N 0 1 365.452 4.240 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000610717115 1083353443 /nfs/dbraw/zinc/35/34/43/1083353443.db2.gz UNPRCOOGULHCTC-MOPGFXCFSA-N 0 1 374.488 4.161 20 30 FIEDMN C=CCN(Cc1ccc(Oc2cnccn2)cc1)Cc1cccc(C#N)c1 ZINC000092504579 1083413153 /nfs/dbraw/zinc/41/31/53/1083413153.db2.gz QBUHQTCGMOYLCU-UHFFFAOYSA-N 0 1 356.429 4.329 20 30 FIEDMN Cc1cc([C@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)s1 ZINC000179374223 1083434965 /nfs/dbraw/zinc/43/49/65/1083434965.db2.gz YRXSADRDGARIES-NWDGAFQWSA-N 0 1 373.547 4.465 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(OC(C)C)cc2)c(C#N)c1C ZINC000179533066 1083554616 /nfs/dbraw/zinc/55/46/16/1083554616.db2.gz YRXZREJCXPUZGP-GJZGRUSLSA-N 0 1 369.465 4.233 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2cccc(OC(C)C)c2)c(C#N)c1C ZINC000179680609 1083597236 /nfs/dbraw/zinc/59/72/36/1083597236.db2.gz DWLBCFNDGFEZHC-CABCVRRESA-N 0 1 369.465 4.233 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000612236510 1083629126 /nfs/dbraw/zinc/62/91/26/1083629126.db2.gz IDYPNUFDEGLDIG-HSZRJFAPSA-N 0 1 361.489 4.084 20 30 FIEDMN N#Cc1nc(N2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)ccc1Cl ZINC000540865162 1083671085 /nfs/dbraw/zinc/67/10/85/1083671085.db2.gz IVOLFXHYKFQLRU-AWEZNQCLSA-N 0 1 370.888 4.156 20 30 FIEDMN N#Cc1nc(N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)ccc1Cl ZINC000540865162 1083671092 /nfs/dbraw/zinc/67/10/92/1083671092.db2.gz IVOLFXHYKFQLRU-AWEZNQCLSA-N 0 1 370.888 4.156 20 30 FIEDMN N#Cc1ccc(CSCC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000179824663 1083677307 /nfs/dbraw/zinc/67/73/07/1083677307.db2.gz NWZVRJOTGUWPMF-UHFFFAOYSA-N 0 1 372.400 4.244 20 30 FIEDMN O[C@H](c1ccc(F)cc1)C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177152787 1083684367 /nfs/dbraw/zinc/68/43/67/1083684367.db2.gz OCUGGJBKLQWKDF-OAQYLSRUSA-N 0 1 357.856 4.276 20 30 FIEDMN CC(C)(C)CCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000121654329 1083733325 /nfs/dbraw/zinc/73/33/25/1083733325.db2.gz JDNMQBQKHHZWPD-ZDUSSCGKSA-N 0 1 354.422 4.475 20 30 FIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000610938296 1083854603 /nfs/dbraw/zinc/85/46/03/1083854603.db2.gz IRBYOKDRXGJUKI-UHFFFAOYSA-N 0 1 360.417 4.296 20 30 FIEDMN C=CCC[C@H](CC)NCc1noc(-c2cccc(Br)c2)n1 ZINC000448281425 1083994332 /nfs/dbraw/zinc/99/43/32/1083994332.db2.gz OGZXIKWITXEKPL-AWEZNQCLSA-N 0 1 350.260 4.334 20 30 FIEDMN Cn1c(NN=Cc2csc(-c3cccs3)n2)nnc1-c1ccccc1 ZINC000728430063 1084049955 /nfs/dbraw/zinc/04/99/55/1084049955.db2.gz YAAKGNYSXLCBPV-UHFFFAOYSA-N 0 1 366.475 4.113 20 30 FIEDMN COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(SC)cc1OC ZINC000180028646 1084078495 /nfs/dbraw/zinc/07/84/95/1084078495.db2.gz SQJBRTZXGLUMKE-UHFFFAOYSA-N 0 1 368.502 4.462 20 30 FIEDMN COc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)c(SC)cc1OC ZINC000180028646 1084078506 /nfs/dbraw/zinc/07/85/06/1084078506.db2.gz SQJBRTZXGLUMKE-UHFFFAOYSA-N 0 1 368.502 4.462 20 30 FIEDMN CCCc1sc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1CC ZINC000060851470 1084080393 /nfs/dbraw/zinc/08/03/93/1084080393.db2.gz FQTLJAGDMSRUSJ-AWEZNQCLSA-N 0 1 356.495 4.071 20 30 FIEDMN COc1ccc(C(C)N=Nc2ccc(Br)cc2F)c(O)c1 ZINC000728432953 1084082477 /nfs/dbraw/zinc/08/24/77/1084082477.db2.gz KPXRSCGTQVBTBA-UHFFFAOYSA-N 0 1 353.191 4.139 20 30 FIEDMN CCOc1c(Cl)cc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1OC ZINC000728438233 1084143538 /nfs/dbraw/zinc/14/35/38/1084143538.db2.gz CHGMJWUJMHPZHU-XQRVVYSFSA-N 0 1 350.773 4.488 20 30 FIEDMN N#Cc1ccccc1COc1cccc(CN[C@H](CO)c2ccsc2)c1 ZINC000472044615 1084173607 /nfs/dbraw/zinc/17/36/07/1084173607.db2.gz ZTUAKEXWPDRJEW-OAQYLSRUSA-N 0 1 364.470 4.022 20 30 FIEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2cc(Cl)nc(N3CCCC3)c2)n1 ZINC000177774599 1084315900 /nfs/dbraw/zinc/31/59/00/1084315900.db2.gz YNUBDCMRYPHAJI-ZDUSSCGKSA-N 0 1 374.897 4.405 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cc(Cl)nc(N3CCCC3)c2)n1 ZINC000177774599 1084315911 /nfs/dbraw/zinc/31/59/11/1084315911.db2.gz YNUBDCMRYPHAJI-ZDUSSCGKSA-N 0 1 374.897 4.405 20 30 FIEDMN C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000472142869 1084520714 /nfs/dbraw/zinc/52/07/14/1084520714.db2.gz UOHDWDCKXBCGLO-UHFFFAOYSA-N 0 1 369.484 4.175 20 30 FIEDMN C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1cc(F)c(Cl)cc1Cl ZINC000177986868 1084531162 /nfs/dbraw/zinc/53/11/62/1084531162.db2.gz QSEHEGSBKJKJEX-QGHHPUGFSA-N 0 1 353.224 4.388 20 30 FIEDMN Cc1ccc(OCC(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000066544850 1084639226 /nfs/dbraw/zinc/63/92/26/1084639226.db2.gz DAQYDTCHDGIGBN-SFHVURJKSA-N 0 1 373.437 4.245 20 30 FIEDMN C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000119973944 1084749497 /nfs/dbraw/zinc/74/94/97/1084749497.db2.gz JGDHTXBLEWFTKV-CQSZACIVSA-N 0 1 353.491 4.178 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2cccnc2)s1)c1nccc2ccccc21 ZINC000582234479 1084784872 /nfs/dbraw/zinc/78/48/72/1084784872.db2.gz TXYHVZFEFWRYMC-INIZCTEOSA-N 0 1 356.410 4.243 20 30 FIEDMN CN(Cc1cc2ccccc2o1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180205927 1084894320 /nfs/dbraw/zinc/89/43/20/1084894320.db2.gz MIUWTENPBPDAQN-UHFFFAOYSA-N 0 1 356.429 4.337 20 30 FIEDMN C[C@H](c1nc2ccccc2s1)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000150207676 1085086675 /nfs/dbraw/zinc/08/66/75/1085086675.db2.gz ALHDEDBULXLZDI-CQSZACIVSA-N 0 1 364.474 4.190 20 30 FIEDMN CO[C@H](C)C(=O)Nc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 ZINC000255518852 1085361237 /nfs/dbraw/zinc/36/12/37/1085361237.db2.gz KBCCWLKBSHKJEJ-SNVBAGLBSA-N 0 1 367.232 4.423 20 30 FIEDMN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000661114379 1085394836 /nfs/dbraw/zinc/39/48/36/1085394836.db2.gz GEVJMDBAHKHBSS-GDBMZVCRSA-N 0 1 356.495 4.015 20 30 FIEDMN C=CCOc1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1 ZINC000109021103 1085581430 /nfs/dbraw/zinc/58/14/30/1085581430.db2.gz ZZADPMMRUQFEPP-IBGZPJMESA-N 0 1 363.417 4.232 20 30 FIEDMN C=C(C)[C@H](NC[C@H](O)COc1cccc2[nH]ccc21)c1ccc(F)c(F)c1 ZINC000187767140 1085654878 /nfs/dbraw/zinc/65/48/78/1085654878.db2.gz FBQZOLIJQKJLPN-BTYIYWSLSA-N 0 1 372.415 4.093 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000178656041 1085696628 /nfs/dbraw/zinc/69/66/28/1085696628.db2.gz RQPTWQASOQZMHU-KBXCAEBGSA-N 0 1 369.421 4.135 20 30 FIEDMN CN(Cc1ccc(F)c(C#N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000468279358 1086069448 /nfs/dbraw/zinc/06/94/48/1086069448.db2.gz XHOKOJDDWKHCDU-QZTJIDSGSA-N 0 1 365.235 4.094 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN1CCN(c2ccc3ccccc3n2)CC1 ZINC000487378371 1086168772 /nfs/dbraw/zinc/16/87/72/1086168772.db2.gz NRXZGWSXRNJGRN-UHFFFAOYSA-N 0 1 370.500 4.358 20 30 FIEDMN C=CCOc1ccccc1CN[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000161524678 1086182914 /nfs/dbraw/zinc/18/29/14/1086182914.db2.gz JSLHCQOSCZOWKR-KRWDZBQOSA-N 0 1 350.462 4.229 20 30 FIEDMN CC[C@](C)(OC)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000796669493 1086249393 /nfs/dbraw/zinc/24/93/93/1086249393.db2.gz GIAYZMVZEHZCAH-BTDLBPIBSA-N 0 1 350.390 4.080 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(F)cc1OC ZINC000663298511 1086382592 /nfs/dbraw/zinc/38/25/92/1086382592.db2.gz RWBBPWLJBYYAAY-UHFFFAOYSA-N 0 1 363.454 4.487 20 30 FIEDMN N#Cc1cc(S(=O)(=O)Nc2cnccc2-c2ccccc2)ccc1Cl ZINC000432358518 1086656361 /nfs/dbraw/zinc/65/63/61/1086656361.db2.gz PCPZCEUZLUDWTM-UHFFFAOYSA-N 0 1 369.833 4.074 20 30 FIEDMN CC(C)(C)c1ncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000685143326 1086724514 /nfs/dbraw/zinc/72/45/14/1086724514.db2.gz YNHORTZUDCOMNC-GFCCVEGCSA-N 0 1 369.375 4.009 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245433054 1086782662 /nfs/dbraw/zinc/78/26/62/1086782662.db2.gz BPDSJBAOADVCQK-SOLBZPMBSA-N 0 1 357.523 4.284 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000245433054 1086782668 /nfs/dbraw/zinc/78/26/68/1086782668.db2.gz BPDSJBAOADVCQK-SOLBZPMBSA-N 0 1 357.523 4.284 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnc(-c3ccccc3)nc2)s1 ZINC000583670508 1086909152 /nfs/dbraw/zinc/90/91/52/1086909152.db2.gz PBAXIGLNZOJFSL-OAHLLOKOSA-N 0 1 362.458 4.388 20 30 FIEDMN C=CCOc1cccc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000536163653 1087040239 /nfs/dbraw/zinc/04/02/39/1087040239.db2.gz RROKPYGEKHEXMT-GOSISDBHSA-N 0 1 351.368 4.093 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000329634286 1087121629 /nfs/dbraw/zinc/12/16/29/1087121629.db2.gz TTZNQONGXVYPLY-VQIMIIECSA-N 0 1 372.900 4.452 20 30 FIEDMN N#CC(=C(O)C=Cc1ccnc2ccccc12)c1cnc2ccccc2n1 ZINC000588587640 1087178287 /nfs/dbraw/zinc/17/82/87/1087178287.db2.gz WHWLTZGQCZLBCO-IBSYWUHOSA-N 0 1 350.381 4.068 20 30 FIEDMN N#CC(C(=O)C=Cc1ccnc2ccccc12)c1cnc2ccccc2n1 ZINC000588587640 1087178290 /nfs/dbraw/zinc/17/82/90/1087178290.db2.gz WHWLTZGQCZLBCO-IBSYWUHOSA-N 0 1 350.381 4.068 20 30 FIEDMN Cn1cc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1C#N ZINC000480292839 1087344168 /nfs/dbraw/zinc/34/41/68/1087344168.db2.gz WMNVVMQJCGCGDC-FQEVSTJZSA-N 0 1 350.853 4.019 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c(C#N)c1C ZINC000472347473 1087662364 /nfs/dbraw/zinc/66/23/64/1087662364.db2.gz YRYYVTKCNVHZHU-BXWFABGCSA-N 0 1 365.477 4.048 20 30 FIEDMN Cc1cc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c(C)n1-c1nccs1 ZINC000647374647 1087794011 /nfs/dbraw/zinc/79/40/11/1087794011.db2.gz IHTGYQFJMUHPBN-CQSZACIVSA-N 0 1 368.487 4.375 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c(C)n1-c1nccs1 ZINC000647374647 1087794024 /nfs/dbraw/zinc/79/40/24/1087794024.db2.gz IHTGYQFJMUHPBN-CQSZACIVSA-N 0 1 368.487 4.375 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)n1 ZINC000659010098 1087896889 /nfs/dbraw/zinc/89/68/89/1087896889.db2.gz HLRZFHRHFQWWNH-ZDUSSCGKSA-N 0 1 353.369 4.026 20 30 FIEDMN N#Cc1ccc(OCCN[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180564282 1087963079 /nfs/dbraw/zinc/96/30/79/1087963079.db2.gz YZGPBFXEQHBWMQ-QGZVFWFLSA-N 0 1 352.331 4.359 20 30 FIEDMN CON=Cc1ccc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000255919779 1088036196 /nfs/dbraw/zinc/03/61/96/1088036196.db2.gz UKKARFGIIATCJF-KRWDZBQOSA-N 0 1 361.426 4.280 20 30 FIEDMN C=C(C)C(C)(C)C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000424635034 1088114048 /nfs/dbraw/zinc/11/40/48/1088114048.db2.gz GHSMSXPEJNHLKI-UHFFFAOYSA-N 0 1 357.498 4.042 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@@H](c3nccs3)C2)c(Br)c1 ZINC000181044061 1088234083 /nfs/dbraw/zinc/23/40/83/1088234083.db2.gz ABDFQTMXOLXCFX-CQSZACIVSA-N 0 1 362.296 4.157 20 30 FIEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000181300659 1088298144 /nfs/dbraw/zinc/29/81/44/1088298144.db2.gz DWHSJLUNZUMDDE-VXGBXAGGSA-N 0 1 350.388 4.346 20 30 FIEDMN COc1cnccc1[C@@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000189545911 1088492833 /nfs/dbraw/zinc/49/28/33/1088492833.db2.gz AVEMGBQFEUUDGN-QGZVFWFLSA-N 0 1 373.456 4.392 20 30 FIEDMN C[C@H](c1ccc(C(C)(C)C)cc1)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513976607 1088574516 /nfs/dbraw/zinc/57/45/16/1088574516.db2.gz ZUBSUPZGPKOLCJ-SWWFSWNPSA-N 0 1 373.500 4.391 20 30 FIEDMN C[C@H](c1ccc(C(C)(C)C)cc1)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513976608 1088575687 /nfs/dbraw/zinc/57/56/87/1088575687.db2.gz ZUBSUPZGPKOLCJ-XKPFWTEKSA-N 0 1 373.500 4.391 20 30 FIEDMN COc1ccc(CN2CCC(c3nc4cccc(C)c4o3)CC2)cc1C#N ZINC000189814908 1088643504 /nfs/dbraw/zinc/64/35/04/1088643504.db2.gz MOPPGMVBEPUIML-UHFFFAOYSA-N 0 1 361.445 4.396 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1O ZINC000189972108 1088712655 /nfs/dbraw/zinc/71/26/55/1088712655.db2.gz KTXCLHPFVGXUTI-UHFFFAOYSA-N 0 1 354.369 4.059 20 30 FIEDMN Cc1nc(NC(=O)C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc1C ZINC000505433261 1088774725 /nfs/dbraw/zinc/77/47/25/1088774725.db2.gz OAEOEHHLOPWZRK-ZDUSSCGKSA-N 0 1 372.837 4.314 20 30 FIEDMN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000190026921 1088802878 /nfs/dbraw/zinc/80/28/78/1088802878.db2.gz ODXQBPAAGTYCGZ-UHFFFAOYSA-N 0 1 364.323 4.324 20 30 FIEDMN COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@@H](C#N)CCC#N)cc1 ZINC000564651984 1089069128 /nfs/dbraw/zinc/06/91/28/1089069128.db2.gz SIAHJHYSANUVCN-UTKZUKDTSA-N 0 1 351.425 4.151 20 30 FIEDMN Cc1nc2cc(NCc3cn(CCC#N)nc3-c3ccccc3)ccc2n1C ZINC000151973034 1089072076 /nfs/dbraw/zinc/07/20/76/1089072076.db2.gz FGOFWETZLBSEQM-UHFFFAOYSA-N 0 1 370.460 4.271 20 30 FIEDMN C=CCc1cc(CN[C@@H]2CC(C)(C)Oc3ccc(N)cc32)cc(OC)c1O ZINC000415039794 1089077878 /nfs/dbraw/zinc/07/78/78/1089077878.db2.gz RHUIJXULLSHUKX-GOSISDBHSA-N 0 1 368.477 4.104 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cn(-c3ccccc3)nc2C(C)C)n1 ZINC000425256566 1089158911 /nfs/dbraw/zinc/15/89/11/1089158911.db2.gz AICGAZVSPVFVGK-HNNXBMFYSA-N 0 1 350.447 4.251 20 30 FIEDMN N#C[C@H](C(=O)c1ccccc1Oc1ccncc1)c1cnc2ccccc2n1 ZINC000549190063 1089177309 /nfs/dbraw/zinc/17/73/09/1089177309.db2.gz JJZIYQFQUJDSSO-KRWDZBQOSA-N 0 1 366.380 4.307 20 30 FIEDMN N#CC(C(=O)c1ccccc1Oc1ccncc1)c1cnc2ccccc2n1 ZINC000549190063 1089177317 /nfs/dbraw/zinc/17/73/17/1089177317.db2.gz JJZIYQFQUJDSSO-KRWDZBQOSA-N 0 1 366.380 4.307 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CNCc2ccc(OC3CCCCC3)nc2)cc1 ZINC000728711994 1089808035 /nfs/dbraw/zinc/80/80/35/1089808035.db2.gz QWEVWFPGPVJRQQ-QGZVFWFLSA-N 0 1 365.477 4.374 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)[nH]c21 ZINC000435793772 1089938566 /nfs/dbraw/zinc/93/85/66/1089938566.db2.gz DINBCQHRXRVTTP-ZDUSSCGKSA-N 0 1 359.216 4.424 20 30 FIEDMN CN(C)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000549410522 1090271628 /nfs/dbraw/zinc/27/16/28/1090271628.db2.gz FZQWHOXZKOTLON-GOSISDBHSA-N 0 1 372.453 4.238 20 30 FIEDMN CN(C)c1cccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000549410522 1090271631 /nfs/dbraw/zinc/27/16/31/1090271631.db2.gz FZQWHOXZKOTLON-GOSISDBHSA-N 0 1 372.453 4.238 20 30 FIEDMN Cc1nn2c(CN[C@H]3CCCc4cc(C#N)ccc43)c(C(C)C)nc2s1 ZINC000584459374 1090684173 /nfs/dbraw/zinc/68/41/73/1090684173.db2.gz CKOZOJVYKLPPNI-KRWDZBQOSA-N 0 1 365.506 4.262 20 30 FIEDMN CCc1oc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C ZINC000162456078 1090958858 /nfs/dbraw/zinc/95/88/58/1090958858.db2.gz MSHTWBUHQALXIV-NSHDSACASA-N 0 1 365.216 4.418 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cnn(C(C)C)c2C)ccc1OC ZINC000191363570 1091067051 /nfs/dbraw/zinc/06/70/51/1091067051.db2.gz AEQRPHXPHHZJLE-CRAIPNDOSA-N 0 1 370.497 4.313 20 30 FIEDMN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000759787402 1091090997 /nfs/dbraw/zinc/09/09/97/1091090997.db2.gz HYWQQNDGZUGQBL-UHFFFAOYSA-N 0 1 365.477 4.085 20 30 FIEDMN C#CCOc1ccccc1CN[C@@H]1CCCSc2ccc(OC)cc21 ZINC000783253217 1091277009 /nfs/dbraw/zinc/27/70/09/1091277009.db2.gz YUEAORJNVBDBMT-LJQANCHMSA-N 0 1 353.487 4.424 20 30 FIEDMN C[C@@H](C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(F)(F)F ZINC000511743879 1091602546 /nfs/dbraw/zinc/60/25/46/1091602546.db2.gz YFFVZXRMESUUCE-RCOVLWMOSA-N 0 1 365.220 4.206 20 30 FIEDMN C[C@@H](C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(F)(F)F ZINC000511743877 1091602587 /nfs/dbraw/zinc/60/25/87/1091602587.db2.gz YFFVZXRMESUUCE-IMTBSYHQSA-N 0 1 365.220 4.206 20 30 FIEDMN C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660542098 1091732280 /nfs/dbraw/zinc/73/22/80/1091732280.db2.gz ZXKBGVMTGYHLMX-LJQANCHMSA-N 0 1 374.573 4.127 20 30 FIEDMN N#Cc1ccc(CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1F ZINC000512215117 1091915405 /nfs/dbraw/zinc/91/54/05/1091915405.db2.gz VAGBPLFCVSBZOH-KRWDZBQOSA-N 0 1 353.224 4.217 20 30 FIEDMN C[C@@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000512293471 1092018856 /nfs/dbraw/zinc/01/88/56/1092018856.db2.gz LNZAMLLSIVTIFT-INIZCTEOSA-N 0 1 365.502 4.466 20 30 FIEDMN C[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000512293471 1092018868 /nfs/dbraw/zinc/01/88/68/1092018868.db2.gz LNZAMLLSIVTIFT-INIZCTEOSA-N 0 1 365.502 4.466 20 30 FIEDMN N#Cc1cccc(NC(=O)C2CCN(c3ccnc4cc(F)ccc43)CC2)c1 ZINC000500471705 1092109351 /nfs/dbraw/zinc/10/93/51/1092109351.db2.gz LFOCAKJYIIEOOP-UHFFFAOYSA-N 0 1 374.419 4.101 20 30 FIEDMN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(F)c(Cl)c1 ZINC000432798683 1092399134 /nfs/dbraw/zinc/39/91/34/1092399134.db2.gz RDVRCGQXWIOXMR-UHFFFAOYSA-N 0 1 368.843 4.383 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(Br)cn1 ZINC000279930522 1092652186 /nfs/dbraw/zinc/65/21/86/1092652186.db2.gz AQPBDLQSLOGSAW-QWHCGFSZSA-N 0 1 360.255 4.158 20 30 FIEDMN N#CC(C(=O)c1ccncc1Oc1ccccc1)c1cnc2ccccc2n1 ZINC000442527345 1092670355 /nfs/dbraw/zinc/67/03/55/1092670355.db2.gz XJNKVOPXWDHGHB-KRWDZBQOSA-N 0 1 366.380 4.307 20 30 FIEDMN N#C[C@H](C(=O)c1ccncc1Oc1ccccc1)c1cnc2ccccc2n1 ZINC000442527345 1092670365 /nfs/dbraw/zinc/67/03/65/1092670365.db2.gz XJNKVOPXWDHGHB-KRWDZBQOSA-N 0 1 366.380 4.307 20 30 FIEDMN CCc1nc(C(C)C)ccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000549718079 1092716133 /nfs/dbraw/zinc/71/61/33/1092716133.db2.gz UWIZNBJZWUCPJI-UHFFFAOYSA-N 0 1 351.494 4.288 20 30 FIEDMN CCc1nc(C(C)C)ccc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000549718079 1092716143 /nfs/dbraw/zinc/71/61/43/1092716143.db2.gz UWIZNBJZWUCPJI-UHFFFAOYSA-N 0 1 351.494 4.288 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3F)cc2)cc1O ZINC000442940455 1092875238 /nfs/dbraw/zinc/87/52/38/1092875238.db2.gz BZZLSKGOCVPXFA-UHFFFAOYSA-N 0 1 362.360 4.234 20 30 FIEDMN CCOc1ccccc1NC(=O)CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000521822294 1092939884 /nfs/dbraw/zinc/93/98/84/1092939884.db2.gz IVKUEWOWBXNEGA-UHFFFAOYSA-N 0 1 365.477 4.054 20 30 FIEDMN N#Cc1ccc(CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000573690211 1092957929 /nfs/dbraw/zinc/95/79/29/1092957929.db2.gz YJDKHJPTYFWRNS-GOSISDBHSA-N 0 1 359.788 4.500 20 30 FIEDMN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2F)cc1Br ZINC000512620840 1092998778 /nfs/dbraw/zinc/99/87/78/1092998778.db2.gz SXWWZDCVHWHOOY-NSHDSACASA-N 0 1 363.230 4.319 20 30 FIEDMN CCOCCOCc1cccc(CN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512626450 1093024023 /nfs/dbraw/zinc/02/40/23/1093024023.db2.gz UFFAKBAGMOIKTH-INIZCTEOSA-N 0 1 356.441 4.101 20 30 FIEDMN COc1ccc(CN2CCc3cccc(C)c3C2)cc1OCCCC#N ZINC000433045393 1093154835 /nfs/dbraw/zinc/15/48/35/1093154835.db2.gz FFYIHVSYIVMZIE-UHFFFAOYSA-N 0 1 350.462 4.245 20 30 FIEDMN C=CCC(C)(C)C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000429911536 1093490344 /nfs/dbraw/zinc/49/03/44/1093490344.db2.gz XFHXEYDESBXYIS-UHFFFAOYSA-N 0 1 368.443 4.342 20 30 FIEDMN N#CC(C(=O)c1cc2c(s1)CCC2)c1nc(-c2ccncc2)cs1 ZINC000114619634 1093659527 /nfs/dbraw/zinc/65/95/27/1093659527.db2.gz YAFLHOWAGTYZEW-ZDUSSCGKSA-N 0 1 351.456 4.245 20 30 FIEDMN CC[C@@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(Cl)cc1 ZINC000182309779 1093755924 /nfs/dbraw/zinc/75/59/24/1093755924.db2.gz HEEVWMONEYKCRX-YVEFUNNKSA-N 0 1 359.857 4.489 20 30 FIEDMN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474431230 1093777339 /nfs/dbraw/zinc/77/73/39/1093777339.db2.gz GVBWQNDLOPJJBN-QGZVFWFLSA-N 0 1 362.788 4.098 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000614385925 1093801310 /nfs/dbraw/zinc/80/13/10/1093801310.db2.gz LFAYIRCPXSUHAT-NSHDSACASA-N 0 1 369.412 4.263 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cccc4c3OCO4)n2)cc1 ZINC000614385876 1093802483 /nfs/dbraw/zinc/80/24/83/1093802483.db2.gz NWDXDLVJGAXCLE-HNNXBMFYSA-N 0 1 362.410 4.337 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cnn(-c3cccc(Cl)c3)c2C)n1 ZINC000041515846 1094639153 /nfs/dbraw/zinc/63/91/53/1094639153.db2.gz DOCRXHLTWVVLRA-CQSZACIVSA-N 0 1 356.838 4.089 20 30 FIEDMN O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329051565 1094725451 /nfs/dbraw/zinc/72/54/51/1094725451.db2.gz WOBBZVHISJMJRY-KDOFPFPSSA-N 0 1 358.873 4.451 20 30 FIEDMN O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329051565 1094725464 /nfs/dbraw/zinc/72/54/64/1094725464.db2.gz WOBBZVHISJMJRY-KDOFPFPSSA-N 0 1 358.873 4.451 20 30 FIEDMN CC(C)c1cccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000474833465 1094732383 /nfs/dbraw/zinc/73/23/83/1094732383.db2.gz LYKULTXYVLCWNU-GFCCVEGCSA-N 0 1 354.360 4.440 20 30 FIEDMN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000329270970 1094810898 /nfs/dbraw/zinc/81/08/98/1094810898.db2.gz HUKUAYFRDHINHR-WOJBJXKFSA-N 0 1 368.456 4.037 20 30 FIEDMN O=C(N[C@H](CC1CCC1)c1ccccc1)N1CCC(c2cnc[nH]2)CC1 ZINC000329292267 1094824158 /nfs/dbraw/zinc/82/41/58/1094824158.db2.gz RCPLLMDEYRFCGF-LJQANCHMSA-N 0 1 352.482 4.435 20 30 FIEDMN Cc1ccc2[nH]c([C@H]3CCCN(CC(=O)NC4CCCCC4)C3)nc2c1 ZINC000329290396 1094825049 /nfs/dbraw/zinc/82/50/49/1094825049.db2.gz NEGBXADGTDDLRS-INIZCTEOSA-N 0 1 354.498 4.340 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(CC(=O)NC4CCCCC4)C3)[nH]c2c1 ZINC000329290396 1094825079 /nfs/dbraw/zinc/82/50/79/1094825079.db2.gz NEGBXADGTDDLRS-INIZCTEOSA-N 0 1 354.498 4.340 20 30 FIEDMN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000329340742 1094850198 /nfs/dbraw/zinc/85/01/98/1094850198.db2.gz OMSIFIQBDBGDKD-XOYOTBSWSA-N 0 1 371.529 4.134 20 30 FIEDMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)NC3CCCCC3)ccc2NC1=O ZINC000329374354 1094867600 /nfs/dbraw/zinc/86/76/00/1094867600.db2.gz LAKWUXNPXTZHGM-DYVFJYSZSA-N 0 1 359.470 4.385 20 30 FIEDMN COc1cccc(CCCN(C)Cc2cc(Br)ccc2C#N)c1 ZINC001141904868 1094870392 /nfs/dbraw/zinc/87/03/92/1094870392.db2.gz HLGPFBVTMXFFIY-UHFFFAOYSA-N 0 1 373.294 4.394 20 30 FIEDMN Cc1cnn([C@H]2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)C2)c1 ZINC000329499006 1094937845 /nfs/dbraw/zinc/93/78/45/1094937845.db2.gz GXXVBGVEZBZDGV-HNNXBMFYSA-N 0 1 359.499 4.188 20 30 FIEDMN O=C(Nc1cccc(F)c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329505264 1094943642 /nfs/dbraw/zinc/94/36/42/1094943642.db2.gz ZJFVLQNFSFKMAK-OAHLLOKOSA-N 0 1 371.460 4.417 20 30 FIEDMN O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)[C@H]1C[C@]12CCOC2 ZINC000329612362 1095002437 /nfs/dbraw/zinc/00/24/37/1095002437.db2.gz OKTVVBSKYQDQJH-QRWLVFNGSA-N 0 1 351.381 4.384 20 30 FIEDMN COc1ccc(CN(C)Cc2cc(Br)cs2)cc1C#N ZINC000087833275 1095144515 /nfs/dbraw/zinc/14/45/15/1095144515.db2.gz KJVPVPBIRUQIMW-UHFFFAOYSA-N 0 1 351.269 4.023 20 30 FIEDMN N#Cc1ccc(N2CCC[C@@H](N[C@@H](CC(F)F)c3ccccc3)C2=O)cc1 ZINC000420998631 1095235146 /nfs/dbraw/zinc/23/51/46/1095235146.db2.gz UDRATTPOKVFECG-MOPGFXCFSA-N 0 1 369.415 4.040 20 30 FIEDMN C[C@@H](Sc1c[nH]nn1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000329797331 1095268665 /nfs/dbraw/zinc/26/86/65/1095268665.db2.gz FLLBUTRZFAHTEI-LLVKDONJSA-N 0 1 360.439 4.005 20 30 FIEDMN COc1ccc(CNCc2cnccc2C(C)(C)C)cc1OCCCC#N ZINC000414493487 1095273094 /nfs/dbraw/zinc/27/30/94/1095273094.db2.gz BYOFHMKKKBZSOJ-UHFFFAOYSA-N 0 1 367.493 4.360 20 30 FIEDMN CC(C)c1ccc2c(c1)[C@@H]([NH+]=C([O-])N1CCC(c3cnn(C)c3)CC1)CC2 ZINC000329968668 1095332596 /nfs/dbraw/zinc/33/25/96/1095332596.db2.gz WUYKJPKNUWTDOY-NRFANRHFSA-N 0 1 366.509 4.324 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+][C@@H](C)C2CCCC2)CC1 ZINC000329987955 1095337811 /nfs/dbraw/zinc/33/78/11/1095337811.db2.gz GQEXJZFNVLSIIE-HNNXBMFYSA-N 0 1 354.498 4.474 20 30 FIEDMN C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)C[C@@H]1n1ccnc1 ZINC000330009282 1095348511 /nfs/dbraw/zinc/34/85/11/1095348511.db2.gz GBJZGNDHNHNEBW-VUBSUSDNSA-N 0 1 370.472 4.155 20 30 FIEDMN Cc1ccc([C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000330108295 1095382059 /nfs/dbraw/zinc/38/20/59/1095382059.db2.gz NLOCSOBDSZAKIE-UXHICEINSA-N 0 1 366.509 4.381 20 30 FIEDMN O=C(COc1ccc2oc3c(c2c1)CCCC3)N[C@H]1CCCc2cn[nH]c21 ZINC000330143508 1095393082 /nfs/dbraw/zinc/39/30/82/1095393082.db2.gz YWUYAIMYXXQNPJ-KRWDZBQOSA-N 0 1 365.433 4.448 20 30 FIEDMN Cc1nc2cccc(C(=O)N[C@H]3c4ccccc4CC34CCOCC4)c2[nH]1 ZINC000330212570 1095418629 /nfs/dbraw/zinc/41/86/29/1095418629.db2.gz DSKMDYKBJSZXAQ-FQEVSTJZSA-N 0 1 361.445 4.270 20 30 FIEDMN Cc1cc(F)ccc1C1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000330233102 1095427689 /nfs/dbraw/zinc/42/76/89/1095427689.db2.gz XUCYJDUQJHESPT-GOSISDBHSA-N 0 1 356.445 4.028 20 30 FIEDMN COc1cc(CN(Cc2cccc(C#N)c2)C2CC2)ccc1OC(F)F ZINC000016424286 1095655440 /nfs/dbraw/zinc/65/54/40/1095655440.db2.gz VQBAFLMOEXJOHE-UHFFFAOYSA-N 0 1 358.388 4.333 20 30 FIEDMN COCCCn1nccc1CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000366995603 1095708532 /nfs/dbraw/zinc/70/85/32/1095708532.db2.gz LJJCWRMHEXNCTQ-GOSISDBHSA-N 0 1 374.488 4.309 20 30 FIEDMN COc1ccc(CNCc2cc(C)cc(Cl)n2)cc1OCCCC#N ZINC000281945025 1095770363 /nfs/dbraw/zinc/77/03/63/1095770363.db2.gz IGAYGOYBIBQSRE-UHFFFAOYSA-N 0 1 359.857 4.024 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N(C)CC(C)(C)c2ccc(C)cc2)c(C#N)c1C ZINC000444167000 1095791963 /nfs/dbraw/zinc/79/19/63/1095791963.db2.gz CVHSNHOTIITXBS-INIZCTEOSA-N 0 1 367.493 4.313 20 30 FIEDMN N#CCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000029973993 1095921583 /nfs/dbraw/zinc/92/15/83/1095921583.db2.gz XIHNBQHKTVXLON-UHFFFAOYSA-N 0 1 374.771 4.226 20 30 FIEDMN CCOCCOc1cc(C)ccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000271878072 1096136113 /nfs/dbraw/zinc/13/61/13/1096136113.db2.gz OSEISJYNXULCDY-GOSISDBHSA-N 0 1 368.477 4.164 20 30 FIEDMN C=CCCN(C)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000467303735 1096140825 /nfs/dbraw/zinc/14/08/25/1096140825.db2.gz DZLKIUBCRXIADX-SFHVURJKSA-N 0 1 371.868 4.119 20 30 FIEDMN COc1ccc(CN(Cc2ccc(F)c(C#N)c2)CC2CC2)c(OC)c1 ZINC000503255484 1096332682 /nfs/dbraw/zinc/33/26/82/1096332682.db2.gz IBMPWTVDXNWPFZ-UHFFFAOYSA-N 0 1 354.425 4.127 20 30 FIEDMN C[C@H]1C[C@]1(NCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000503365728 1096369104 /nfs/dbraw/zinc/36/91/04/1096369104.db2.gz HTAIZBXOJSFFCY-HRAATJIYSA-N 0 1 367.880 4.112 20 30 FIEDMN N#Cc1ccc(C2=CCN(C(=O)c3[nH]nc4ccc(Cl)cc43)CC2)cc1 ZINC000503631925 1096502305 /nfs/dbraw/zinc/50/23/05/1096502305.db2.gz IESDCQSDOSKUPQ-UHFFFAOYSA-N 0 1 362.820 4.017 20 30 FIEDMN C[C@@H](CN(C)CC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1 ZINC000532941399 1098616891 /nfs/dbraw/zinc/61/68/91/1098616891.db2.gz HWGMBRVLMXECBM-SFHVURJKSA-N 0 1 359.473 4.473 20 30 FIEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC2(C1)CCCCC2 ZINC000532972427 1098658006 /nfs/dbraw/zinc/65/80/06/1098658006.db2.gz JNEQQZVMDAJXID-AWEZNQCLSA-N 0 1 357.523 4.092 20 30 FIEDMN CC(C)(C#N)CCCCSc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000436209565 1098815600 /nfs/dbraw/zinc/81/56/00/1098815600.db2.gz LOFWMJYBUJZWQC-UHFFFAOYSA-N 0 1 358.467 4.055 20 30 FIEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000425535148 1098993051 /nfs/dbraw/zinc/99/30/51/1098993051.db2.gz MVQXYZIZEORRCE-GOSISDBHSA-N 0 1 361.489 4.377 20 30 FIEDMN N#Cc1ccc(CN2CC[C@H](COc3ccccc3)C2)c(Br)c1 ZINC000505812708 1099008158 /nfs/dbraw/zinc/00/81/58/1099008158.db2.gz PGHJHVVYPSTFMP-INIZCTEOSA-N 0 1 371.278 4.222 20 30 FIEDMN C[C@H](C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000436467579 1099035495 /nfs/dbraw/zinc/03/54/95/1099035495.db2.gz DUFAZBIEVVIJLI-ANLVUFKYSA-N 0 1 351.649 4.397 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cn(C)nc3C(C)C)n2)cc1 ZINC000516710849 1099727924 /nfs/dbraw/zinc/72/79/24/1099727924.db2.gz XEAOFXPGTNKAPX-OAHLLOKOSA-N 0 1 364.474 4.466 20 30 FIEDMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[nH]1 ZINC000576248190 1099736208 /nfs/dbraw/zinc/73/62/08/1099736208.db2.gz XFQHKCGXKVQKAL-ZWKOTPCHSA-N 0 1 371.444 4.209 20 30 FIEDMN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000437523356 1099968396 /nfs/dbraw/zinc/96/83/96/1099968396.db2.gz KIKYNIFGUCCSGB-FZKQIMNGSA-N 0 1 367.474 4.002 20 30 FIEDMN N#Cc1ccsc1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000437559590 1099985379 /nfs/dbraw/zinc/98/53/79/1099985379.db2.gz RSBXHOKNXMKREM-UHFFFAOYSA-N 0 1 371.425 4.324 20 30 FIEDMN N#Cc1ccsc1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000437559590 1099985385 /nfs/dbraw/zinc/98/53/85/1099985385.db2.gz RSBXHOKNXMKREM-UHFFFAOYSA-N 0 1 371.425 4.324 20 30 FIEDMN Cc1ccccc1C[C@H](C)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000517229442 1100207014 /nfs/dbraw/zinc/20/70/14/1100207014.db2.gz VINXRODSKSWIIK-KRWDZBQOSA-N 0 1 367.518 4.112 20 30 FIEDMN Cc1sc(NC(=O)CN[C@@H](C)c2cccc(C3CC3)c2)c(C#N)c1C ZINC000517505789 1100440013 /nfs/dbraw/zinc/44/00/13/1100440013.db2.gz QETBKKGBBIKJGS-ZDUSSCGKSA-N 0 1 353.491 4.403 20 30 FIEDMN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000517966186 1100837871 /nfs/dbraw/zinc/83/78/71/1100837871.db2.gz DTJBHDMVLJTIFG-QHCPKHFHSA-N 0 1 366.505 4.107 20 30 FIEDMN N#Cc1c(F)cccc1N1CCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC000509547341 1100934303 /nfs/dbraw/zinc/93/43/03/1100934303.db2.gz YMCVSWOUCLLOHE-UHFFFAOYSA-N 0 1 372.447 4.082 20 30 FIEDMN C=C(C)COc1cc(CNC2(c3ccc(OC)cc3)CC2)ccc1OC ZINC000518300311 1101074967 /nfs/dbraw/zinc/07/49/67/1101074967.db2.gz MMXMTASNCPLSQV-UHFFFAOYSA-N 0 1 353.462 4.438 20 30 FIEDMN COc1ccc(CN(CC(=O)Nc2oc(C)c(C)c2C#N)C(C)(C)C)cc1 ZINC000518432731 1101200870 /nfs/dbraw/zinc/20/08/70/1101200870.db2.gz BKDDJKFPXNHIDW-UHFFFAOYSA-N 0 1 369.465 4.016 20 30 FIEDMN N#CC(C(=O)c1ccc(-c2cnco2)cc1)c1nc(-c2ccncc2)cs1 ZINC000518642163 1101373817 /nfs/dbraw/zinc/37/38/17/1101373817.db2.gz YDTNJWUWTRXOMN-INIZCTEOSA-N 0 1 372.409 4.350 20 30 FIEDMN C[C@H](NCC#Cc1ccc(Cl)cc1)c1cccc(N2CCCC2=O)c1 ZINC000537109098 1101475017 /nfs/dbraw/zinc/47/50/17/1101475017.db2.gz XNURLHOWWPTWIN-INIZCTEOSA-N 0 1 352.865 4.169 20 30 FIEDMN N#Cc1ccc(CSc2nc(-c3ccccc3)n[nH]2)c(OC(F)F)c1 ZINC000439539433 1101550313 /nfs/dbraw/zinc/55/03/13/1101550313.db2.gz DLANOKNFFVLNBE-UHFFFAOYSA-N 0 1 358.373 4.237 20 30 FIEDMN CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)CCO2 ZINC000180542603 1101577504 /nfs/dbraw/zinc/57/75/04/1101577504.db2.gz NONBCDMBOHVTCY-MGPUTAFESA-N 0 1 352.434 4.162 20 30 FIEDMN C=CCc1cc(CN(Cc2cccs2)C[C@@H]2CCCO2)cc(OC)c1O ZINC000506709133 1101875824 /nfs/dbraw/zinc/87/58/24/1101875824.db2.gz YDUGICHIGLNAQF-SFHVURJKSA-N 0 1 373.518 4.372 20 30 FIEDMN N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2)cc1 ZINC000191058361 1101914616 /nfs/dbraw/zinc/91/46/16/1101914616.db2.gz NNSRKQFNHVLZRF-UHFFFAOYSA-N 0 1 355.353 4.180 20 30 FIEDMN N#CCc1ccc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)cc1 ZINC000440283106 1102182009 /nfs/dbraw/zinc/18/20/09/1102182009.db2.gz NVSXIRRIUXOCJV-UHFFFAOYSA-N 0 1 356.834 4.360 20 30 FIEDMN C[C@H](OC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000783784549 1102274174 /nfs/dbraw/zinc/27/41/74/1102274174.db2.gz FZWYSZVDXFRION-OXJNMPFZSA-N 0 1 366.436 4.214 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1C1CCC1 ZINC000532558882 1102480409 /nfs/dbraw/zinc/48/04/09/1102480409.db2.gz NEFFYFULPNYYAI-CRAIPNDOSA-N 0 1 357.523 4.284 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c(C#N)c1C ZINC000532569071 1102491228 /nfs/dbraw/zinc/49/12/28/1102491228.db2.gz SPHCVWHMWQGSEA-TZMCWYRMSA-N 0 1 373.884 4.484 20 30 FIEDMN N#CCCCN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000111278853 1102516876 /nfs/dbraw/zinc/51/68/76/1102516876.db2.gz JPSSFGXHQLMVMW-UHFFFAOYSA-N 0 1 352.413 4.132 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000122231749 1102547650 /nfs/dbraw/zinc/54/76/50/1102547650.db2.gz FIGJFDPFZZFYJV-OAHLLOKOSA-N 0 1 359.360 4.462 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000122231749 1102547661 /nfs/dbraw/zinc/54/76/61/1102547661.db2.gz FIGJFDPFZZFYJV-OAHLLOKOSA-N 0 1 359.360 4.462 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC001211975768 1103134017 /nfs/dbraw/zinc/13/40/17/1103134017.db2.gz PLAQUWGPDMPEHX-YOEHRIQHSA-N 0 1 365.424 4.093 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ncccc2C2CC2)no1 ZINC001211975868 1103135911 /nfs/dbraw/zinc/13/59/11/1103135911.db2.gz RPCHFLGEYIQPCH-WMZOPIPTSA-N 0 1 370.497 4.087 20 30 FIEDMN N#CCCN(C(=O)CN1CC[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000477167329 1103190382 /nfs/dbraw/zinc/19/03/82/1103190382.db2.gz VXJANONJGWXPBH-SFHVURJKSA-N 0 1 367.880 4.076 20 30 FIEDMN N#Cc1ccc2ncc(CNC3(c4ccc(F)cc4F)CCCC3)n2c1 ZINC000551552269 1103348939 /nfs/dbraw/zinc/34/89/39/1103348939.db2.gz KJSFASHNZQLZLH-UHFFFAOYSA-N 0 1 352.388 4.043 20 30 FIEDMN C=CCC[C@H](C(=O)NCc1ccc(F)c(CN(C)C)c1)c1ccccc1 ZINC000427449772 1103561128 /nfs/dbraw/zinc/56/11/28/1103561128.db2.gz PXQPUSRWJWNDAB-FQEVSTJZSA-N 0 1 354.469 4.254 20 30 FIEDMN C=CCC[C@@H](C(=O)NCc1ccc(F)c(CN(C)C)c1)c1ccccc1 ZINC000427449773 1103561382 /nfs/dbraw/zinc/56/13/82/1103561382.db2.gz PXQPUSRWJWNDAB-HXUWFJFHSA-N 0 1 354.469 4.254 20 30 FIEDMN COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC(C)(C#N)CC2)c1 ZINC000507710634 1103647232 /nfs/dbraw/zinc/64/72/32/1103647232.db2.gz UZQADQIGAXABIJ-UHFFFAOYSA-N 0 1 366.509 4.439 20 30 FIEDMN CSc1ccccc1[C@H](C)N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000440613176 1103826012 /nfs/dbraw/zinc/82/60/12/1103826012.db2.gz MPWMCWRTJMIERT-JWRWLIQVSA-N 0 1 373.566 4.378 20 30 FIEDMN CC[C@H]1Oc2cc([C@H](C)NCC#Cc3ccccc3Cl)ccc2NC1=O ZINC000538256530 1104080417 /nfs/dbraw/zinc/08/04/17/1104080417.db2.gz MRRLXYKIXLLLDI-IFXJQAMLSA-N 0 1 368.864 4.152 20 30 FIEDMN COc1ccccc1[C@H](CC(C)C)NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000538280063 1104098138 /nfs/dbraw/zinc/09/81/38/1104098138.db2.gz OUJNFJCDVSNKPL-IBGZPJMESA-N 0 1 371.525 4.057 20 30 FIEDMN CCN(CCc1cccs1)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000520172657 1104139164 /nfs/dbraw/zinc/13/91/64/1104139164.db2.gz SQTZFRHKTJJUIC-UHFFFAOYSA-N 0 1 369.534 4.176 20 30 FIEDMN CC(C)CN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(C#N)cc1 ZINC000520173215 1104143074 /nfs/dbraw/zinc/14/30/74/1104143074.db2.gz WAHGZCUUUIXYGQ-VXKWHMMOSA-N 0 1 367.537 4.197 20 30 FIEDMN O=C(N[C@@H]1CCc2ccccc21)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000329359200 1104243025 /nfs/dbraw/zinc/24/30/25/1104243025.db2.gz XKNJHCFLAJLKSC-RTBURBONSA-N 0 1 373.460 4.210 20 30 FIEDMN O=C(N[C@@H]1CCc2ccccc21)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000329359200 1104243029 /nfs/dbraw/zinc/24/30/29/1104243029.db2.gz XKNJHCFLAJLKSC-RTBURBONSA-N 0 1 373.460 4.210 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(C)c(Br)c3)[nH]c21 ZINC000473951168 1104465043 /nfs/dbraw/zinc/46/50/43/1104465043.db2.gz RIJLJSPOULHGFW-ZDUSSCGKSA-N 0 1 368.234 4.432 20 30 FIEDMN C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000328659757 1104526864 /nfs/dbraw/zinc/52/68/64/1104526864.db2.gz UCPWIRAQAITXAX-MJGOQNOKSA-N 0 1 372.557 4.324 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CCCc4ccc(F)cc43)C2)n[nH]1 ZINC000328721364 1104533812 /nfs/dbraw/zinc/53/38/12/1104533812.db2.gz WUILOVHDVZGUDH-CRAIPNDOSA-N 0 1 356.445 4.028 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+]CC3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000328739695 1104546237 /nfs/dbraw/zinc/54/62/37/1104546237.db2.gz MRXAYOITSHZHHK-OAHLLOKOSA-N 0 1 372.900 4.197 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NCC3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000328739695 1104546246 /nfs/dbraw/zinc/54/62/46/1104546246.db2.gz MRXAYOITSHZHHK-OAHLLOKOSA-N 0 1 372.900 4.197 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NCc3oc4ccccc4c3C)C2)n[nH]1 ZINC000328757700 1104551059 /nfs/dbraw/zinc/55/10/59/1104551059.db2.gz VFXRWYJUOHWEJR-OAHLLOKOSA-N 0 1 352.438 4.066 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)NC1(c2ccc(F)cc2F)CCCC1 ZINC000328849079 1104579023 /nfs/dbraw/zinc/57/90/23/1104579023.db2.gz TZIRRQYYCSYVOE-INIZCTEOSA-N 0 1 360.408 4.038 20 30 FIEDMN C=CCCO[C@@H](C)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000520652300 1105081984 /nfs/dbraw/zinc/08/19/84/1105081984.db2.gz QRHAZEWMXJRNCT-ZDUSSCGKSA-N 0 1 353.397 4.289 20 30 FIEDMN CC#CCCN1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190786618 1105155346 /nfs/dbraw/zinc/15/53/46/1105155346.db2.gz BNKOTSNWNBSREZ-HNNXBMFYSA-N 0 1 360.255 4.049 20 30 FIEDMN CC(C)(C)CN(CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000507824705 1105225478 /nfs/dbraw/zinc/22/54/78/1105225478.db2.gz QCWJMORARDFGJO-UHFFFAOYSA-N 0 1 363.505 4.482 20 30 FIEDMN N#Cc1ccc(CC(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1 ZINC000427808941 1105284867 /nfs/dbraw/zinc/28/48/67/1105284867.db2.gz XHWVSVNTOORHSA-UHFFFAOYSA-N 0 1 352.397 4.283 20 30 FIEDMN CC(C)c1ccc(S(=O)(=O)Nc2cc(C#N)c3ccccc3n2)cc1 ZINC000508124763 1105333352 /nfs/dbraw/zinc/33/33/52/1105333352.db2.gz KBYJEPAMGHFMCG-UHFFFAOYSA-N 0 1 351.431 4.031 20 30 FIEDMN CC(C)(COc1ncccc1C(F)(F)F)NCc1cccc(F)c1C#N ZINC000428344813 1107064957 /nfs/dbraw/zinc/06/49/57/1107064957.db2.gz KOBHLRZRAOUNHA-UHFFFAOYSA-N 0 1 367.346 4.058 20 30 FIEDMN N#C[C@H](C(=O)c1cn[nH]c1-c1ccsc1)c1ccc(C(F)(F)F)cn1 ZINC000444458468 1107924591 /nfs/dbraw/zinc/92/45/91/1107924591.db2.gz FYVFSAMRQKVPQT-NSHDSACASA-N 0 1 362.336 4.042 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccc(C#N)cc1 ZINC000531695515 1108073968 /nfs/dbraw/zinc/07/39/68/1108073968.db2.gz IMPZPVTYIJAHIC-KBPBESRZSA-N 0 1 351.841 4.204 20 30 FIEDMN FC(F)(F)C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000444703070 1108104691 /nfs/dbraw/zinc/10/46/91/1108104691.db2.gz KJKIRXRJAYQECS-ZDUSSCGKSA-N 0 1 351.290 4.211 20 30 FIEDMN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1CCCCC(C)(C)C#N ZINC000444703913 1108105929 /nfs/dbraw/zinc/10/59/29/1108105929.db2.gz KKTSXPHLFZCPFF-JOCHJYFZSA-N 0 1 356.510 4.347 20 30 FIEDMN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C(F)(F)F ZINC000508540553 1108982391 /nfs/dbraw/zinc/98/23/91/1108982391.db2.gz FOZZTYXPUHYHSF-UHFFFAOYSA-N 0 1 366.358 4.365 20 30 FIEDMN N#Cc1nnc2ccccc2c1Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000524847126 1109178926 /nfs/dbraw/zinc/17/89/26/1109178926.db2.gz SEGCTZIRKYZXMT-UHFFFAOYSA-N 0 1 364.821 4.091 20 30 FIEDMN C=CCc1ccccc1OC[C@H](O)CN(C)[C@@H](C)c1sc(CC)nc1C ZINC000525634956 1109463336 /nfs/dbraw/zinc/46/33/36/1109463336.db2.gz BDLCPNSMAMGTED-FUHWJXTLSA-N 0 1 374.550 4.175 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@H](N[C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000447542701 1109573171 /nfs/dbraw/zinc/57/31/71/1109573171.db2.gz JTNDBNQFXHYDMR-RHSMWYFYSA-N 0 1 352.434 4.365 20 30 FIEDMN CC(C)(CO)[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000429718914 1109604687 /nfs/dbraw/zinc/60/46/87/1109604687.db2.gz BSCOVQOXJFATMY-LJQANCHMSA-N 0 1 361.407 4.406 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C3(c4ccc(C#N)cc4)CC3)[nH]c2c1 ZINC000526082210 1109615633 /nfs/dbraw/zinc/61/56/33/1109615633.db2.gz BMCOCLBDAOJDDK-FQEVSTJZSA-N 0 1 370.456 4.138 20 30 FIEDMN N#Cc1ccc(C2(NCc3cnc(C4CCCC4)s3)CCOCC2)cc1 ZINC000527809497 1109827630 /nfs/dbraw/zinc/82/76/30/1109827630.db2.gz KPSLXKYIQAUFPC-UHFFFAOYSA-N 0 1 367.518 4.468 20 30 FIEDMN C=CCC[C@@H](NCc1ccnc(OC)n1)c1ccc(C(F)(F)F)cc1 ZINC000449187132 1109994880 /nfs/dbraw/zinc/99/48/80/1109994880.db2.gz KNJMMVFQHJLMNZ-MRXNPFEDSA-N 0 1 351.372 4.301 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Cl)[C@@H]43)[nH]c21 ZINC000528955033 1110162183 /nfs/dbraw/zinc/16/21/83/1110162183.db2.gz ZDRFRKSRIGDKBG-KJWYOANISA-N 0 1 361.832 4.287 20 30 FIEDMN Cc1nc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c(Cl)cc1C#N ZINC000461947532 1111445617 /nfs/dbraw/zinc/44/56/17/1111445617.db2.gz KBENLDMRGUAVFZ-MRXNPFEDSA-N 0 1 364.840 4.042 20 30 FIEDMN Cc1nc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c(Cl)cc1C#N ZINC000461947532 1111445620 /nfs/dbraw/zinc/44/56/20/1111445620.db2.gz KBENLDMRGUAVFZ-MRXNPFEDSA-N 0 1 364.840 4.042 20 30 FIEDMN Cc1[nH]ncc1C1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000552033779 1111450547 /nfs/dbraw/zinc/45/05/47/1111450547.db2.gz SBOSONZDNCBPOY-UHFFFAOYSA-N 0 1 364.474 4.133 20 30 FIEDMN CC[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000539252359 1111487476 /nfs/dbraw/zinc/48/74/76/1111487476.db2.gz JYZDESLBNRJGRS-GUYCJALGSA-N 0 1 373.403 4.228 20 30 FIEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000539252334 1111487676 /nfs/dbraw/zinc/48/76/76/1111487676.db2.gz KSFPJTJBSCNGIS-MSOLQXFVSA-N 0 1 365.477 4.138 20 30 FIEDMN CC(C)(NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccc(F)c1 ZINC000539314871 1111509090 /nfs/dbraw/zinc/50/90/90/1111509090.db2.gz OPXONLCCWZKWNW-UHFFFAOYSA-N 0 1 373.859 4.251 20 30 FIEDMN CC(C)Sc1ccc([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000539305849 1111514405 /nfs/dbraw/zinc/51/44/05/1111514405.db2.gz SFQYSYIBULWKQG-HNNXBMFYSA-N 0 1 353.491 4.348 20 30 FIEDMN CC1(C)CCC(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CC1 ZINC000479222854 1111967506 /nfs/dbraw/zinc/96/75/06/1111967506.db2.gz VNRHRGOYVGDCJS-UHFFFAOYSA-N 0 1 367.537 4.267 20 30 FIEDMN CC1(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000479278041 1111980595 /nfs/dbraw/zinc/98/05/95/1111980595.db2.gz IBCWRDIAGKQCPQ-UHFFFAOYSA-N 0 1 353.510 4.021 20 30 FIEDMN CC[C@H](C)n1nc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1C ZINC000480940046 1112688249 /nfs/dbraw/zinc/68/82/49/1112688249.db2.gz JJIPVOXLELARMJ-WCQYABFASA-N 0 1 371.391 4.397 20 30 FIEDMN C[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[C@H]1c1ccccc1 ZINC000555146975 1112693825 /nfs/dbraw/zinc/69/38/25/1112693825.db2.gz HZMFQRBZLDWKMH-DENIHFKCSA-N 0 1 361.489 4.059 20 30 FIEDMN CO[C@@H](CC(C)C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000842295427 1112853727 /nfs/dbraw/zinc/85/37/27/1112853727.db2.gz GEYOLRYUHAUEMM-NHYWBVRUSA-N 0 1 364.417 4.326 20 30 FIEDMN N#CCc1cccc2c1CCN(Cc1ccccc1OCc1ccncc1)C2 ZINC000600213121 1112925555 /nfs/dbraw/zinc/92/55/55/1112925555.db2.gz BJEIBGNFAWQPPK-UHFFFAOYSA-N 0 1 369.468 4.285 20 30 FIEDMN N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4cncn4c3)cc2)cc1 ZINC000555811328 1113002207 /nfs/dbraw/zinc/00/22/07/1113002207.db2.gz XQVWLTDVMOFTSG-UHFFFAOYSA-N 0 1 354.369 4.251 20 30 FIEDMN CC[C@H](C)n1ncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000482571550 1113300265 /nfs/dbraw/zinc/30/02/65/1113300265.db2.gz CCFFBZRTUHPISK-AAEUAGOBSA-N 0 1 371.391 4.397 20 30 FIEDMN CC[C@H](C)n1ncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000482571552 1113300476 /nfs/dbraw/zinc/30/04/76/1113300476.db2.gz CCFFBZRTUHPISK-WCQYABFASA-N 0 1 371.391 4.397 20 30 FIEDMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000613252331 1113617931 /nfs/dbraw/zinc/61/79/31/1113617931.db2.gz VZPQNNWZJKRFNJ-BRWVUGGUSA-N 0 1 372.488 4.133 20 30 FIEDMN COc1cc(CN(C)Cc2ccc(C#N)c(C)c2)c(SC)cc1OC ZINC000488410393 1113926015 /nfs/dbraw/zinc/92/60/15/1113926015.db2.gz URVOPXFXMMMCDQ-UHFFFAOYSA-N 0 1 356.491 4.238 20 30 FIEDMN C[C@H](C1CC1)N(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000029724994 1114364828 /nfs/dbraw/zinc/36/48/28/1114364828.db2.gz FZEWLEYMCWIVQQ-CYBMUJFWSA-N 0 1 357.523 4.090 20 30 FIEDMN N#Cc1cc(Cl)cc(Br)c1N1CCC[C@H](N2CCCC2)C1 ZINC000587313346 1114436182 /nfs/dbraw/zinc/43/61/82/1114436182.db2.gz GGUMMYPYFLCGMA-AWEZNQCLSA-N 0 1 368.706 4.039 20 30 FIEDMN CN(C)Cc1cc(-c2noc(-c3ccc(C#N)c(Cl)c3)n2)ccc1F ZINC000571444304 1114471096 /nfs/dbraw/zinc/47/10/96/1114471096.db2.gz KWTLDNHUBWIIOJ-UHFFFAOYSA-N 0 1 356.788 4.129 20 30 FIEDMN CCn1nc(C)cc1C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000587988832 1114507559 /nfs/dbraw/zinc/50/75/59/1114507559.db2.gz VSSWSFAYVSWJJS-HNNXBMFYSA-N 0 1 350.447 4.133 20 30 FIEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1O ZINC000572056805 1114596324 /nfs/dbraw/zinc/59/63/24/1114596324.db2.gz AQKCWKJHDAOXCU-RDJZCZTQSA-N 0 1 374.362 4.323 20 30 FIEDMN CN(CCOCc1ccc(C#N)cc1)Cc1cnc(-c2cccs2)s1 ZINC000572372353 1114638265 /nfs/dbraw/zinc/63/82/65/1114638265.db2.gz LNDILSBNOGPJRQ-UHFFFAOYSA-N 0 1 369.515 4.392 20 30 FIEDMN Oc1cccc(CN(CC#Cc2ccccc2Cl)[C@H]2CC[C@H](O)CC2)c1 ZINC000572494180 1114650662 /nfs/dbraw/zinc/65/06/62/1114650662.db2.gz MXDSRZZQNBNRNK-MXVIHJGJSA-N 0 1 369.892 4.203 20 30 FIEDMN CCCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1 ZINC000590926040 1114992839 /nfs/dbraw/zinc/99/28/39/1114992839.db2.gz CTOAIAKJZXNCRJ-UHFFFAOYSA-N 0 1 369.896 4.499 20 30 FIEDMN N#Cc1ccc(CN[C@H](c2ccc(F)c(Cl)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000573690213 1115180804 /nfs/dbraw/zinc/18/08/04/1115180804.db2.gz YJDKHJPTYFWRNS-SFHVURJKSA-N 0 1 359.788 4.500 20 30 FIEDMN C=C(C)CN1CCC(NC(=O)CCCC(=O)c2c(C)cc(C)cc2C)CC1 ZINC000592075774 1115202294 /nfs/dbraw/zinc/20/22/94/1115202294.db2.gz OZDSFEWRQNLLKG-UHFFFAOYSA-N 0 1 370.537 4.122 20 30 FIEDMN CC(C)N1CC[C@@H](NCc2ccncc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000592113450 1115203083 /nfs/dbraw/zinc/20/30/83/1115203083.db2.gz RONAOHGVDGMUIG-UXHICEINSA-N 0 1 372.875 4.059 20 30 FIEDMN C=CCN(CCC(=O)Nc1ccccc1C#N)Cc1ccc(Cl)s1 ZINC000058490901 1115236759 /nfs/dbraw/zinc/23/67/59/1115236759.db2.gz JQCVMUYYJHRCDJ-UHFFFAOYSA-N 0 1 359.882 4.290 20 30 FIEDMN Oc1c(Br)cc(Br)cc1/C=N\C1CC(F)(F)C1 ZINC000760990055 1115251873 /nfs/dbraw/zinc/25/18/73/1115251873.db2.gz KJICVUBEDHTCPO-BNCCVWRVSA-N 0 1 369.003 4.134 20 30 FIEDMN COc1ccc(/C=C/C(=O)c2ccc(C)cc2O)c(Br)c1O ZINC000761012450 1115297445 /nfs/dbraw/zinc/29/74/45/1115297445.db2.gz RRWBNGPXCMGNRC-QPJJXVBHSA-N 0 1 363.207 4.073 20 30 FIEDMN C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000593405465 1115326914 /nfs/dbraw/zinc/32/69/14/1115326914.db2.gz RTHMQZRKXZLVRC-CEXWTWQISA-N 0 1 370.541 4.009 20 30 FIEDMN C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000593405465 1115326917 /nfs/dbraw/zinc/32/69/17/1115326917.db2.gz RTHMQZRKXZLVRC-CEXWTWQISA-N 0 1 370.541 4.009 20 30 FIEDMN N#C[C@H]1CC[C@H](N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 ZINC000594043402 1115367334 /nfs/dbraw/zinc/36/73/34/1115367334.db2.gz MISAFCSWLSITFJ-RYUDHWBXSA-N 0 1 358.700 4.461 20 30 FIEDMN CCOc1cc2c(cc1CNCc1ccc(C(C)(C)C#N)cc1)O[C@@H](C)C2 ZINC000594493007 1115449152 /nfs/dbraw/zinc/44/91/52/1115449152.db2.gz CAOZUADJQXPMMI-INIZCTEOSA-N 0 1 364.489 4.500 20 30 FIEDMN CCOc1cc2c(cc1CNCc1ccc(C3(C#N)CC3)cc1)O[C@H](C)C2 ZINC000594917860 1115489752 /nfs/dbraw/zinc/48/97/52/1115489752.db2.gz KWOGGNFKGZENRU-MRXNPFEDSA-N 0 1 362.473 4.254 20 30 FIEDMN Cc1nnc(-c2ccc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)cc2)o1 ZINC000574863738 1115514724 /nfs/dbraw/zinc/51/47/24/1115514724.db2.gz GQOIQOOSXIRZQR-CQSZACIVSA-N 0 1 366.446 4.289 20 30 FIEDMN N#Cc1ccc(CN2CCC(c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000593010651 1115536142 /nfs/dbraw/zinc/53/61/42/1115536142.db2.gz JMZZJTNDFFHGEQ-UHFFFAOYSA-N 0 1 357.360 4.124 20 30 FIEDMN N#CC1(c2ccccn2)CCN(CCSc2cccc(Cl)c2)CC1 ZINC000595472967 1115538535 /nfs/dbraw/zinc/53/85/35/1115538535.db2.gz RCGCNWDOUFFNKG-UHFFFAOYSA-N 0 1 357.910 4.384 20 30 FIEDMN Cc1cc(OC[C@H](O)C[N@H+]2CCC[C@H](CC#N)C2)c(C(C)C)cc1Cl ZINC000595609965 1115552985 /nfs/dbraw/zinc/55/29/85/1115552985.db2.gz QYNAGNJQXNVRBB-IAGOWNOFSA-N 0 1 364.917 4.137 20 30 FIEDMN CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1F ZINC000595685940 1115556108 /nfs/dbraw/zinc/55/61/08/1115556108.db2.gz KZVLYCRRPMBKAG-LJQANCHMSA-N 0 1 359.832 4.276 20 30 FIEDMN N#Cc1cccc(C2(NCc3cc(-c4ccccc4)no3)CCOCC2)c1 ZINC000595763844 1115559133 /nfs/dbraw/zinc/55/91/33/1115559133.db2.gz DVNMUBSFYNBKEJ-UHFFFAOYSA-N 0 1 359.429 4.009 20 30 FIEDMN COc1cccc(CNC2(c3cccc(C#N)c3)CCOCC2)c1Cl ZINC000595770570 1115559864 /nfs/dbraw/zinc/55/98/64/1115559864.db2.gz YKLFVWPRULFOLY-UHFFFAOYSA-N 0 1 356.853 4.016 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595785690 1115563174 /nfs/dbraw/zinc/56/31/74/1115563174.db2.gz FYZQKGKDQUXHKW-QAPCUYQASA-N 0 1 363.299 4.102 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c(Br)c1 ZINC000595789317 1115563373 /nfs/dbraw/zinc/56/33/73/1115563373.db2.gz QUMIQXFSWYZSLM-FUHWJXTLSA-N 0 1 363.299 4.102 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C(C)C)cc(=O)c1O ZINC000596203331 1115576904 /nfs/dbraw/zinc/57/69/04/1115576904.db2.gz OBEINABXISJBDR-UHFFFAOYSA-N 0 1 350.462 4.160 20 30 FIEDMN COc1cc(/C=C2\CCc3ccc(Cl)cc3C2=O)cc([N+](=O)[O-])c1O ZINC000761205978 1115624875 /nfs/dbraw/zinc/62/48/75/1115624875.db2.gz MDJDBVVLCQVRNQ-WUXMJOGZSA-N 0 1 359.765 4.175 20 30 FIEDMN CC1(C)CCC[C@@H](CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593350229 1115664235 /nfs/dbraw/zinc/66/42/35/1115664235.db2.gz CMOOQYFQKCJQGC-SFHVURJKSA-N 0 1 367.537 4.245 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(C(=O)CC4(C#N)CCCCC4)C3)[nH]c2c1 ZINC000597426975 1115664786 /nfs/dbraw/zinc/66/47/86/1115664786.db2.gz QPRVHVRCPNCUDZ-KRWDZBQOSA-N 0 1 364.493 4.442 20 30 FIEDMN COc1ccc(-c2nc(C)c([C@H](C)NCc3cccc(C#N)n3)s2)cc1 ZINC000602545572 1115710032 /nfs/dbraw/zinc/71/00/32/1115710032.db2.gz FYSKFPJLBMDUKV-ZDUSSCGKSA-N 0 1 364.474 4.245 20 30 FIEDMN COc1cc(CN[C@@H](CCCC#N)c2ccccc2)c(Br)cn1 ZINC000598617351 1115740674 /nfs/dbraw/zinc/74/06/74/1115740674.db2.gz JBESABJNGVFEIT-KRWDZBQOSA-N 0 1 374.282 4.377 20 30 FIEDMN N#Cc1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000603501146 1115785643 /nfs/dbraw/zinc/78/56/43/1115785643.db2.gz XAIMXOLNMOPKEQ-IBGZPJMESA-N 0 1 368.868 4.170 20 30 FIEDMN CC(C)(C)OC(=O)[C@H]1C[C@@H](NCc2ccc(C#N)s2)c2ccccc21 ZINC000593692697 1115795515 /nfs/dbraw/zinc/79/55/15/1115795515.db2.gz YXEBHCWVQCRWNF-ZWKOTPCHSA-N 0 1 354.475 4.280 20 30 FIEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603890249 1115826635 /nfs/dbraw/zinc/82/66/35/1115826635.db2.gz VZVBYDKBULWQEE-QFBILLFUSA-N 0 1 372.472 4.246 20 30 FIEDMN CCCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000599620093 1115830723 /nfs/dbraw/zinc/83/07/23/1115830723.db2.gz UMSFPASMUSYYTM-OAHLLOKOSA-N 0 1 369.465 4.016 20 30 FIEDMN N#Cc1ccc(CCC(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc1 ZINC000603939413 1115832679 /nfs/dbraw/zinc/83/26/79/1115832679.db2.gz NWKAMHXDJPIQPS-UHFFFAOYSA-N 0 1 356.385 4.266 20 30 FIEDMN CCCCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000603986968 1115836902 /nfs/dbraw/zinc/83/69/02/1115836902.db2.gz BVRNNDOUODLJOV-UHFFFAOYSA-N 0 1 364.854 4.191 20 30 FIEDMN N#CCc1cccc2c1CC[N@@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000599678650 1115837647 /nfs/dbraw/zinc/83/76/47/1115837647.db2.gz KKRSAMKWCMTYPG-UHFFFAOYSA-N 0 1 369.468 4.285 20 30 FIEDMN N#CCc1cccc2c1CCN(Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000599678650 1115837650 /nfs/dbraw/zinc/83/76/50/1115837650.db2.gz KKRSAMKWCMTYPG-UHFFFAOYSA-N 0 1 369.468 4.285 20 30 FIEDMN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000171366114 1115864231 /nfs/dbraw/zinc/86/42/31/1115864231.db2.gz AQOYCOYSBKZJNF-ARFHVFGLSA-N 0 1 356.466 4.195 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3cc(C#N)ccc3C)[nH]c2c1 ZINC000061786920 1115872872 /nfs/dbraw/zinc/87/28/72/1115872872.db2.gz FLPPSOUQQUMPIJ-LJQANCHMSA-N 0 1 359.433 4.420 20 30 FIEDMN Cc1noc2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)c12 ZINC000605362640 1115891417 /nfs/dbraw/zinc/89/14/17/1115891417.db2.gz NMUPOIBHWAYLAF-CQSZACIVSA-N 0 1 373.416 4.329 20 30 FIEDMN CC(C)[C@](C)(NCc1ccc(C#N)cn1)c1ccc(Br)cc1 ZINC000593972391 1115941196 /nfs/dbraw/zinc/94/11/96/1115941196.db2.gz BPEHVVZSUOSWSC-SFHVURJKSA-N 0 1 358.283 4.377 20 30 FIEDMN N#CC(C(=O)[C@@H]1CSc2ccccc21)c1nc2ccccc2n1C(F)F ZINC000172486608 1115953264 /nfs/dbraw/zinc/95/32/64/1115953264.db2.gz VNXCOMKXCQUTCW-QWHCGFSZSA-N 0 1 369.396 4.497 20 30 FIEDMN C[C@H](NC(=O)CNC1(c2ccc(C#N)cc2)CCC1)c1ccccc1Cl ZINC000594032691 1115967766 /nfs/dbraw/zinc/96/77/66/1115967766.db2.gz LCXVIBSQVNRIME-HNNXBMFYSA-N 0 1 367.880 4.058 20 30 FIEDMN N#Cc1cccc(CN2CCC(NC(=O)CCC3CCCCCC3)CC2)c1 ZINC000594055169 1115979990 /nfs/dbraw/zinc/97/99/90/1115979990.db2.gz JIHVUYKYQZWTPV-UHFFFAOYSA-N 0 1 367.537 4.389 20 30 FIEDMN COc1ccc(CNCc2ccc(Oc3cccnc3)c(F)c2)cc1C#N ZINC000174305086 1116130166 /nfs/dbraw/zinc/13/01/66/1116130166.db2.gz XDFKCINDTUHQFZ-UHFFFAOYSA-N 0 1 363.392 4.183 20 30 FIEDMN C=CCC1(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCCC1 ZINC000457062961 1116242551 /nfs/dbraw/zinc/24/25/51/1116242551.db2.gz QDFJLNYWZGBXLA-UHFFFAOYSA-N 0 1 362.271 4.078 20 30 FIEDMN Cc1nc(NC(=O)c2ccc(C#N)c(O)c2)sc1Cc1ccc(C)cc1 ZINC000442729177 1116294448 /nfs/dbraw/zinc/29/44/48/1116294448.db2.gz MCFOWIUVIYQYRP-UHFFFAOYSA-N 0 1 363.442 4.180 20 30 FIEDMN N#Cc1cccc(C2(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)c1 ZINC000535419445 1116304294 /nfs/dbraw/zinc/30/42/94/1116304294.db2.gz KZPZYRLJHHSGRM-UHFFFAOYSA-N 0 1 352.344 4.042 20 30 FIEDMN C[C@H](NCc1cc(F)cc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000539608383 1116351574 /nfs/dbraw/zinc/35/15/74/1116351574.db2.gz JBGUQOCDNQFNTL-JTQLQIEISA-N 0 1 351.194 4.450 20 30 FIEDMN COc1ccc2nc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)ccc2c1 ZINC000539869396 1116394221 /nfs/dbraw/zinc/39/42/21/1116394221.db2.gz PKEPQFDOSMDJFC-AWEZNQCLSA-N 0 1 371.318 4.147 20 30 FIEDMN COc1ccc2nc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)ccc2c1 ZINC000539869396 1116394224 /nfs/dbraw/zinc/39/42/24/1116394224.db2.gz PKEPQFDOSMDJFC-AWEZNQCLSA-N 0 1 371.318 4.147 20 30 FIEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000540362673 1118015419 /nfs/dbraw/zinc/01/54/19/1118015419.db2.gz NCZFQOQALTZGHT-JTSKRJEESA-N 0 1 365.477 4.184 20 30 FIEDMN CCSc1ccc([C@@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000540404607 1118035498 /nfs/dbraw/zinc/03/54/98/1118035498.db2.gz QUHCLJFNOVBXCK-MRXNPFEDSA-N 0 1 359.539 4.134 20 30 FIEDMN C[C@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(C#N)cc1 ZINC000540597024 1118140005 /nfs/dbraw/zinc/14/00/05/1118140005.db2.gz GAZRFUQPPTZGMV-INIZCTEOSA-N 0 1 356.429 4.056 20 30 FIEDMN N#Cc1ccc(CNCCOCc2ccc(Cl)cc2Cl)c(F)c1 ZINC000540689573 1118188527 /nfs/dbraw/zinc/18/85/27/1118188527.db2.gz YRWRZOKOMJSYGC-UHFFFAOYSA-N 0 1 353.224 4.311 20 30 FIEDMN CCOc1cc2c(cc1CN[C@H](C)c1ccc(C#N)c(F)c1)O[C@@H](C)C2 ZINC000540701984 1118192771 /nfs/dbraw/zinc/19/27/71/1118192771.db2.gz NTBUYSJAIJPIPX-UONOGXRCSA-N 0 1 354.425 4.270 20 30 FIEDMN C[C@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000540705912 1118195196 /nfs/dbraw/zinc/19/51/96/1118195196.db2.gz SLMPIXMNNGXIMB-APPDUMDISA-N 0 1 352.331 4.100 20 30 FIEDMN CSc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443402740 1118224631 /nfs/dbraw/zinc/22/46/31/1118224631.db2.gz IGAPGZMWYRHBNY-UHFFFAOYSA-N 0 1 372.393 4.100 20 30 FIEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000540920248 1118316313 /nfs/dbraw/zinc/31/63/13/1118316313.db2.gz UTXGWNOOQJMRID-UHFFFAOYSA-N 0 1 351.356 4.308 20 30 FIEDMN N#CCC1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000541025166 1118352377 /nfs/dbraw/zinc/35/23/77/1118352377.db2.gz UIQHMPYIUZTJGC-UHFFFAOYSA-N 0 1 371.500 4.113 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(OC4CCCC4)nc3)[nH]c21 ZINC000541017544 1118355585 /nfs/dbraw/zinc/35/55/85/1118355585.db2.gz XJXXAEPUZIFHBR-INIZCTEOSA-N 0 1 360.417 4.078 20 30 FIEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000541662060 1118600972 /nfs/dbraw/zinc/60/09/72/1118600972.db2.gz IGHPSESEJRNZBL-INIZCTEOSA-N 0 1 369.534 4.278 20 30 FIEDMN Cc1cccc([C@H]2CCCCN2CC(=O)NC2(C#N)CCCCC2)c1C ZINC000464769583 1118681028 /nfs/dbraw/zinc/68/10/28/1118681028.db2.gz CQYWFMSJMHICOI-HXUWFJFHSA-N 0 1 353.510 4.173 20 30 FIEDMN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000464766728 1118686907 /nfs/dbraw/zinc/68/69/07/1118686907.db2.gz DNTWTRDVGDLGPY-GAJHUEQPSA-N 0 1 361.489 4.155 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc([C@H]4CCCOC4)cc3)[nH]c21 ZINC000541880816 1118686959 /nfs/dbraw/zinc/68/69/59/1118686959.db2.gz BMCGMXLNZAIREE-ROUUACIJSA-N 0 1 359.429 4.255 20 30 FIEDMN Cc1ccc(CCN(Cc2ccc(F)cc2C#N)C[C@@H]2CCCO2)cc1 ZINC000464768452 1118688441 /nfs/dbraw/zinc/68/84/41/1118688441.db2.gz APBBNUHZVVWHLA-QFIPXVFZSA-N 0 1 352.453 4.230 20 30 FIEDMN N#CCC1CCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000541948166 1118717837 /nfs/dbraw/zinc/71/78/37/1118717837.db2.gz HGIKEOVQHPFPMA-HXUWFJFHSA-N 0 1 358.445 4.452 20 30 FIEDMN Cc1ccc([C@H](CC(=O)OC(C)C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000542135312 1118811117 /nfs/dbraw/zinc/81/11/17/1118811117.db2.gz XDALFJFFHDTLDJ-FQEVSTJZSA-N 0 1 354.425 4.178 20 30 FIEDMN N#CCSCCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000174115615 1119093452 /nfs/dbraw/zinc/09/34/52/1119093452.db2.gz LQSAFSABICIJSP-HNNXBMFYSA-N 0 1 372.321 4.043 20 30 FIEDMN N#CCSCCCN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000174115615 1119093455 /nfs/dbraw/zinc/09/34/55/1119093455.db2.gz LQSAFSABICIJSP-HNNXBMFYSA-N 0 1 372.321 4.043 20 30 FIEDMN CC(C)(NCc1cccc(OCCCC#N)c1)c1ccccc1[N+](=O)[O-] ZINC000492461824 1119097454 /nfs/dbraw/zinc/09/74/54/1119097454.db2.gz LUXDGKNPFZIRIJ-UHFFFAOYSA-N 0 1 353.422 4.302 20 30 FIEDMN CC(C)(C#N)CCCN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000174814277 1119153685 /nfs/dbraw/zinc/15/36/85/1119153685.db2.gz OGHPBTCEEWTPNM-UHFFFAOYSA-N 0 1 368.550 4.258 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C#N)cs2)cc1 ZINC000176461129 1119431996 /nfs/dbraw/zinc/43/19/96/1119431996.db2.gz USCZVTYNLHWHDT-MLGOLLRUSA-N 0 1 351.431 4.094 20 30 FIEDMN N#Cc1ccc(OCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000494037405 1119528395 /nfs/dbraw/zinc/52/83/95/1119528395.db2.gz GXEDFRZLQDSUOX-JOCHJYFZSA-N 0 1 373.412 4.224 20 30 FIEDMN C=CC[C@@H](C)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000494037221 1119528711 /nfs/dbraw/zinc/52/87/11/1119528711.db2.gz GLUIOCYLHAYUSS-BFUOFWGJSA-N 0 1 365.445 4.012 20 30 FIEDMN C=C(C)C[C@H](C)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000185375206 1119658727 /nfs/dbraw/zinc/65/87/27/1119658727.db2.gz UULTUKZQIMCFJH-KRWDZBQOSA-N 0 1 357.498 4.042 20 30 FIEDMN N#CCSCCCN1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185634419 1119677653 /nfs/dbraw/zinc/67/76/53/1119677653.db2.gz YJAWRTWPQTYWIO-HNNXBMFYSA-N 0 1 357.292 4.372 20 30 FIEDMN Cc1nc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)[nH]c1-c1ccccc1 ZINC000187120480 1119767949 /nfs/dbraw/zinc/76/79/49/1119767949.db2.gz GQXUTLOAQSPKCM-OAHLLOKOSA-N 0 1 368.506 4.208 20 30 FIEDMN COc1cc(Br)ccc1[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC000190429601 1119937500 /nfs/dbraw/zinc/93/75/00/1119937500.db2.gz CRPRGGDVRLBSBC-NSHDSACASA-N 0 1 363.230 4.319 20 30 FIEDMN Fc1ccc(C2OCCO2)c(Cl)c1CN=Nc1ncccc1Cl ZINC000761781313 1120395014 /nfs/dbraw/zinc/39/50/14/1120395014.db2.gz DWSNCFNYVJLNIK-UHFFFAOYSA-N 0 1 356.184 4.019 20 30 FIEDMN N#Cc1cccc(NC(=O)C2CCN(Cc3cc(Cl)cs3)CC2)c1 ZINC000494973025 1120402136 /nfs/dbraw/zinc/40/21/36/1120402136.db2.gz ASYFHRHUODWOHK-UHFFFAOYSA-N 0 1 359.882 4.124 20 30 FIEDMN C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)c1ccc(C#N)cc1 ZINC000495050599 1120446264 /nfs/dbraw/zinc/44/62/64/1120446264.db2.gz VJDCSEMNBDDLMC-JTQLQIEISA-N 0 1 356.838 4.154 20 30 FIEDMN CC(C)(C)OC(=O)N1CCCc2cccc(CN=Nc3ccc(F)cn3)c21 ZINC000761808934 1120472359 /nfs/dbraw/zinc/47/23/59/1120472359.db2.gz GZKNLJFJAXYEGT-UHFFFAOYSA-N 0 1 370.428 4.354 20 30 FIEDMN COc1ccc(CN[C@H](C)c2ccc(OCC3CC3)c(F)c2)cc1C#N ZINC000153394329 1120610989 /nfs/dbraw/zinc/61/09/89/1120610989.db2.gz HJNQDPKTSBHFQM-CQSZACIVSA-N 0 1 354.425 4.346 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1cccs1 ZINC000542575108 1121002036 /nfs/dbraw/zinc/00/20/36/1121002036.db2.gz WBUGKRAKMWBKSD-CQSZACIVSA-N 0 1 373.547 4.463 20 30 FIEDMN CCN(Cc1ccccc1)C(=O)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000193687791 1121012684 /nfs/dbraw/zinc/01/26/84/1121012684.db2.gz HEJFIPXALHIFCR-UFFVCSGVSA-N 0 1 365.260 4.167 20 30 FIEDMN Oc1c(Cl)cc(Cl)cc1/C=N/Cc1cnn(CC(F)(F)F)c1 ZINC000763098022 1121114794 /nfs/dbraw/zinc/11/47/94/1121114794.db2.gz TUHFHENBCPGUEZ-PTXOJBNSSA-N 0 1 352.143 4.077 20 30 FIEDMN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000763232669 1121299630 /nfs/dbraw/zinc/29/96/30/1121299630.db2.gz AOANZWAITOBLJS-MOPGFXCFSA-N 0 1 371.278 4.191 20 30 FIEDMN C[C@@H](NC[C@@H](O)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000326370977 1121306741 /nfs/dbraw/zinc/30/67/41/1121306741.db2.gz JPPSFFKCCDOWJA-LHLIQPBNSA-N 0 1 369.227 4.298 20 30 FIEDMN CCCOc1ccc(Br)cc1C=NNc1cc(C)nc(C)n1 ZINC000915971016 1121357450 /nfs/dbraw/zinc/35/74/50/1121357450.db2.gz YHEOKFGDBJYFOS-UHFFFAOYSA-N 0 1 363.259 4.091 20 30 FIEDMN CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNCCN1CCCCC1 ZINC000915973978 1121359303 /nfs/dbraw/zinc/35/93/03/1121359303.db2.gz OTVFMTRZNSTPMA-UHFFFAOYSA-N 0 1 373.932 4.059 20 30 FIEDMN CCOc1c(C=NNc2nccc3sccc32)c(C)nn1CC(C)C ZINC000915979316 1121360088 /nfs/dbraw/zinc/36/00/88/1121360088.db2.gz FQIUBWMYYKLKBY-UHFFFAOYSA-N 0 1 357.483 4.302 20 30 FIEDMN Cc1cc(C)c(/C=C\C(=O)c2ccc(O)c(CN3CCOCC3)c2)cc1C ZINC000916130095 1121419273 /nfs/dbraw/zinc/41/92/73/1121419273.db2.gz HVKDJEGKMNAZPQ-XQRVVYSFSA-N 0 1 365.473 4.046 20 30 FIEDMN COc1ccc(-c2csc3[nH]cnc(=NN=Cc4ccco4)c23)cc1 ZINC000916357301 1121481321 /nfs/dbraw/zinc/48/13/21/1121481321.db2.gz JQOILIWNZIHMMG-UHFFFAOYSA-N 0 1 350.403 4.406 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(c2ccccc2F)CCCC1 ZINC000916627366 1121565750 /nfs/dbraw/zinc/56/57/50/1121565750.db2.gz PMGRACHHQDGAFO-HNNXBMFYSA-N 0 1 361.420 4.401 20 30 FIEDMN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000916895421 1121923859 /nfs/dbraw/zinc/92/38/59/1121923859.db2.gz JSZOLZXNAOMMAT-LPHOPBHVSA-N 0 1 370.493 4.044 20 30 FIEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(C)=O)s2)cc1 ZINC000916914923 1121934346 /nfs/dbraw/zinc/93/43/46/1121934346.db2.gz ZCMZQQPNYWPJNW-MRXNPFEDSA-N 0 1 368.458 4.254 20 30 FIEDMN N#CC(C(=O)CCC1CCCCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000916936428 1121936173 /nfs/dbraw/zinc/93/61/73/1121936173.db2.gz KJMJJAVVGWJCNX-CQSZACIVSA-N 0 1 350.821 4.487 20 30 FIEDMN N#CC(C(=O)c1cccc2c1OCCO2)c1nc2cc(Cl)ccc2s1 ZINC000065652078 1121963249 /nfs/dbraw/zinc/96/32/49/1121963249.db2.gz KYKKMNYYPVIUEE-GFCCVEGCSA-N 0 1 370.817 4.211 20 30 FIEDMN CC[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)N(C)C ZINC000126649605 1121972794 /nfs/dbraw/zinc/97/27/94/1121972794.db2.gz UXRQQXYHDUHBQN-MJGOQNOKSA-N 0 1 355.869 4.274 20 30 FIEDMN Cc1cc(-n2c(C)cc(C=NNc3nc4ccccc4s3)c2C)no1 ZINC000917022674 1122008829 /nfs/dbraw/zinc/00/88/29/1122008829.db2.gz QDUYFROSQOMZJO-UHFFFAOYSA-N 0 1 351.435 4.446 20 30 FIEDMN Cc1cc(-n2c(C)cc(C=[NH+][N-]c3nc4ccccc4s3)c2C)no1 ZINC000917022674 1122008838 /nfs/dbraw/zinc/00/88/38/1122008838.db2.gz QDUYFROSQOMZJO-UHFFFAOYSA-N 0 1 351.435 4.446 20 30 FIEDMN COCc1ccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000066544765 1122072160 /nfs/dbraw/zinc/07/21/60/1122072160.db2.gz XNUQDFHYWHIDML-GOSISDBHSA-N 0 1 373.437 4.318 20 30 FIEDMN C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(C)C ZINC000917167880 1122214159 /nfs/dbraw/zinc/21/41/59/1122214159.db2.gz GFKHJLKZBKQMMC-OAQYLSRUSA-N 0 1 354.519 4.119 20 30 FIEDMN CCc1ccc([C@H](C)NC(=O)CN(CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000497609080 1122306006 /nfs/dbraw/zinc/30/60/06/1122306006.db2.gz DKTUPHAPLZMBRE-ZWKOTPCHSA-N 0 1 363.505 4.381 20 30 FIEDMN CCN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497610881 1122309923 /nfs/dbraw/zinc/30/99/23/1122309923.db2.gz MEDKYKVCTWSMJH-HOTGVXAUSA-N 0 1 369.896 4.472 20 30 FIEDMN C=CC[N@@H+](Cc1cccs1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000497618211 1122319741 /nfs/dbraw/zinc/31/97/41/1122319741.db2.gz FKVXXPJVHZRDNH-AWEZNQCLSA-N 0 1 372.317 4.483 20 30 FIEDMN C=CCN(Cc1cccs1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000497618211 1122319743 /nfs/dbraw/zinc/31/97/43/1122319743.db2.gz FKVXXPJVHZRDNH-AWEZNQCLSA-N 0 1 372.317 4.483 20 30 FIEDMN C=CCN(Cc1cccs1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000497620925 1122320413 /nfs/dbraw/zinc/32/04/13/1122320413.db2.gz QYOACIMRURDKTJ-AWEZNQCLSA-N 0 1 372.317 4.483 20 30 FIEDMN Cc1sc2ncnc(NN=Cc3cnc(-c4ccccc4)nc3)c2c1C ZINC000917535440 1122352155 /nfs/dbraw/zinc/35/21/55/1122352155.db2.gz FOABIPKCNXGLQO-UHFFFAOYSA-N 0 1 360.446 4.211 20 30 FIEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(-c2ccc(F)cc2)s1 ZINC000917554572 1122359851 /nfs/dbraw/zinc/35/98/51/1122359851.db2.gz BPBNTTHXXBFPKJ-UHFFFAOYSA-N 0 1 352.398 4.057 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cnc4c(F)ccc(F)c4c3)[nH]c21 ZINC000497867841 1122446839 /nfs/dbraw/zinc/44/68/39/1122446839.db2.gz GYBUWGSHRUCGPF-CYBMUJFWSA-N 0 1 362.339 4.188 20 30 FIEDMN C=CC[C@H](CO)CN[C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000556119565 1122670029 /nfs/dbraw/zinc/67/00/29/1122670029.db2.gz AIKBUHZFVMVBSG-SJCJKPOMSA-N 0 1 368.246 4.045 20 30 FIEDMN Cc1nc(COc2ccc(CN[C@@H](CCC#N)c3ccccc3)cc2)no1 ZINC000130384200 1122839494 /nfs/dbraw/zinc/83/94/94/1122839494.db2.gz SKWFMDJWZFDJEF-FQEVSTJZSA-N 0 1 362.433 4.092 20 30 FIEDMN Cn1cc(CN2CCC(CC(F)(F)F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000556508625 1122932041 /nfs/dbraw/zinc/93/20/41/1122932041.db2.gz QAEZFLJYTNLTKW-UHFFFAOYSA-N 0 1 362.399 4.123 20 30 FIEDMN CC[C@H](C)[C@@H](C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1)c1ccccc1 ZINC000921254121 1123596106 /nfs/dbraw/zinc/59/61/06/1123596106.db2.gz YCBANPJLYJUEFA-QANKJYHBSA-N 0 1 370.474 4.001 20 30 FIEDMN CC[C@H](C)[C@@H](C(=O)OCC(=O)C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000921254121 1123596109 /nfs/dbraw/zinc/59/61/09/1123596109.db2.gz YCBANPJLYJUEFA-QANKJYHBSA-N 0 1 370.474 4.001 20 30 FIEDMN COc1ccc(C2(NCc3ccc(OC)c(OCCCC#N)c3)CC2)cc1 ZINC000609467163 1123721360 /nfs/dbraw/zinc/72/13/60/1123721360.db2.gz JNCGINSNUZAHMP-UHFFFAOYSA-N 0 1 366.461 4.165 20 30 FIEDMN CC(C)(C)c1nn(Cc2ccccc2)cc1CNCc1ccc(C#N)cc1 ZINC000763455569 1123755009 /nfs/dbraw/zinc/75/50/09/1123755009.db2.gz UXMIUVVHUQGYBP-UHFFFAOYSA-N 0 1 358.489 4.390 20 30 FIEDMN COc1cc(OC)c(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cc1Cl ZINC000175320326 1123819671 /nfs/dbraw/zinc/81/96/71/1123819671.db2.gz KWDMSKOEEOJHNE-ONEGZZNKSA-N 0 1 354.736 4.237 20 30 FIEDMN CC[C@H](CSC)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000245602170 1124134661 /nfs/dbraw/zinc/13/46/61/1124134661.db2.gz PIBOESIGJHNSKH-HUUCEWRRSA-N 0 1 365.568 4.093 20 30 FIEDMN CN(C)Cc1ccc(CNc2ccc(C#N)cc2C(F)(F)F)cc1F ZINC000301885924 1124267919 /nfs/dbraw/zinc/26/79/19/1124267919.db2.gz OVLCBGYQIMGSPD-UHFFFAOYSA-N 0 1 351.347 4.390 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccccc1Cl ZINC000108251907 1124269795 /nfs/dbraw/zinc/26/97/95/1124269795.db2.gz GWNPUQJTFYCVPS-LBPRGKRZSA-N 0 1 366.895 4.393 20 30 FIEDMN N#Cc1cc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c2ccccc2n1 ZINC000301986807 1124274767 /nfs/dbraw/zinc/27/47/67/1124274767.db2.gz ZNDHJJSJKCCUFO-IBGZPJMESA-N 0 1 366.428 4.233 20 30 FIEDMN N#Cc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c2ccccc2n1 ZINC000301986807 1124274775 /nfs/dbraw/zinc/27/47/75/1124274775.db2.gz ZNDHJJSJKCCUFO-IBGZPJMESA-N 0 1 366.428 4.233 20 30 FIEDMN CN1CC[C@H](CNc2c(C#N)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302890147 1124364386 /nfs/dbraw/zinc/36/43/86/1124364386.db2.gz PHFKZRPYEBIEBP-OXQOHEQNSA-N 0 1 368.843 4.327 20 30 FIEDMN COc1ccc2[nH]cc(C=NNc3nccc4sccc43)c2c1[N+](=O)[O-] ZINC000785454239 1124577924 /nfs/dbraw/zinc/57/79/24/1124577924.db2.gz YLHVTBASOVIHIS-UHFFFAOYSA-N 0 1 367.390 4.140 20 30 FIEDMN C=CCN1CC[C@H](N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000499519795 1124992513 /nfs/dbraw/zinc/99/25/13/1124992513.db2.gz BPISMXKLTFXSOW-SJORKVTESA-N 0 1 352.400 4.019 20 30 FIEDMN C[C@@H](NCc1ccc(OCCOc2ccccc2)nc1)c1cccc(C#N)c1 ZINC000181535368 1125007104 /nfs/dbraw/zinc/00/71/04/1125007104.db2.gz GYQQKXYELVEJEH-GOSISDBHSA-N 0 1 373.456 4.262 20 30 FIEDMN COc1ccc(C#N)cc1CN[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181574810 1125030538 /nfs/dbraw/zinc/03/05/38/1125030538.db2.gz VTNWXMLCJRVLPP-CQSZACIVSA-N 0 1 354.425 4.346 20 30 FIEDMN N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccccn1 ZINC000091438972 1125073162 /nfs/dbraw/zinc/07/31/62/1125073162.db2.gz CYROOYOMWXAGTN-GFCCVEGCSA-N 0 1 357.200 4.064 20 30 FIEDMN N#CC(C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccccn1 ZINC000091438972 1125073171 /nfs/dbraw/zinc/07/31/71/1125073171.db2.gz CYROOYOMWXAGTN-GFCCVEGCSA-N 0 1 357.200 4.064 20 30 FIEDMN N#C[C@H]1CCC[C@H](NCc2cc(Br)ccc2Br)C1 ZINC000618578502 1125208846 /nfs/dbraw/zinc/20/88/46/1125208846.db2.gz AZOACGFSQXSYBD-GWCFXTLKSA-N 0 1 372.104 4.384 20 30 FIEDMN COc1ncc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)n1 ZINC000499624901 1125400592 /nfs/dbraw/zinc/40/05/92/1125400592.db2.gz KIINWAUDUCYJEO-HNNXBMFYSA-N 0 1 358.445 4.183 20 30 FIEDMN COc1ncc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)n1 ZINC000499624902 1125400769 /nfs/dbraw/zinc/40/07/69/1125400769.db2.gz KIINWAUDUCYJEO-OAHLLOKOSA-N 0 1 358.445 4.183 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)C(C#N)c3nc4ccccc4n3C)n[nH]2)c(C)c1 ZINC000188648148 568044481 /nfs/dbraw/zinc/04/44/81/568044481.db2.gz VKMQKVKDQJJLNB-INIZCTEOSA-N 0 1 369.428 4.070 20 30 FIEDMN C=CCOc1ccc(CN[C@@](C)(CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000604767638 568362392 /nfs/dbraw/zinc/36/23/92/568362392.db2.gz SANFVFUFGRZKJL-IBGZPJMESA-N 0 1 365.395 4.268 20 30 FIEDMN N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000570024094 568441747 /nfs/dbraw/zinc/44/17/47/568441747.db2.gz DGZXKJBUYIDCBB-SQGPQFPESA-N 0 1 372.428 4.028 20 30 FIEDMN N#CCCN(c1ccc2c(n1)CCN(Cc1ccccc1)C2)C1CCCC1 ZINC001165018523 721835469 /nfs/dbraw/zinc/83/54/69/721835469.db2.gz TURWDWDELNILED-UHFFFAOYSA-N 0 1 360.505 4.303 20 30 FIEDMN Cc1ccccc1-n1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000112222439 1125538547 /nfs/dbraw/zinc/53/85/47/1125538547.db2.gz WETDOIHCNKVPRQ-HNNXBMFYSA-N 0 1 370.334 4.085 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000619656653 1125649005 /nfs/dbraw/zinc/64/90/05/1125649005.db2.gz QFOVQGPOEPMSJH-FQEVSTJZSA-N 0 1 373.500 4.413 20 30 FIEDMN N#C[C@@H](C(=O)c1ccc2[nH]c(=O)oc2c1)c1nc2cc(Cl)ccc2s1 ZINC000619753850 1125680693 /nfs/dbraw/zinc/68/06/93/1125680693.db2.gz YNFLAPLATHHABO-JTQLQIEISA-N 0 1 369.789 4.287 20 30 FIEDMN N#CC(C(=O)c1ccc2[nH]c(=O)oc2c1)c1nc2cc(Cl)ccc2s1 ZINC000619753850 1125680699 /nfs/dbraw/zinc/68/06/99/1125680699.db2.gz YNFLAPLATHHABO-JTQLQIEISA-N 0 1 369.789 4.287 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2ccsc2)c1 ZINC000619746358 1125689941 /nfs/dbraw/zinc/68/99/41/1125689941.db2.gz PTYYZMMCOVRECY-IRXDYDNUSA-N 0 1 355.507 4.351 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2ccsc2)c1 ZINC000619746359 1125690528 /nfs/dbraw/zinc/69/05/28/1125690528.db2.gz PTYYZMMCOVRECY-SJORKVTESA-N 0 1 355.507 4.351 20 30 FIEDMN CN(C)c1ncc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1Cl ZINC000654991825 1079823282 /nfs/dbraw/zinc/82/32/82/1079823282.db2.gz JXPCXPAOCBYJMW-NSHDSACASA-N 0 1 362.886 4.045 20 30 FIEDMN COc1ccc([C@H](NCCCC#N)c2ccccc2)cc1Br ZINC000109328471 1080289569 /nfs/dbraw/zinc/28/95/69/1080289569.db2.gz LJIVBJGPGPVATD-GOSISDBHSA-N 0 1 359.267 4.440 20 30 FIEDMN N#CCCCOc1cccc(CN2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000179878523 1080334942 /nfs/dbraw/zinc/33/49/42/1080334942.db2.gz UKUTWKKORRNAQV-UHFFFAOYSA-N 0 1 362.473 4.464 20 30 FIEDMN C=CCCCCCCCCN1CCO[C@]2(CCCN(C(=O)C(C)C)C2)C1 ZINC001209443984 1080705152 /nfs/dbraw/zinc/70/51/52/1080705152.db2.gz IZDAKORWWMZYNY-JOCHJYFZSA-N 0 1 364.574 4.253 20 30 FIEDMN CC[C@@H]1CCCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC001167157703 1080763379 /nfs/dbraw/zinc/76/33/79/1080763379.db2.gz OSGAEIFCQZLFKD-GOSISDBHSA-N 0 1 364.493 4.169 20 30 FIEDMN N#Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c(F)c1 ZINC000142893625 1080909471 /nfs/dbraw/zinc/90/94/71/1080909471.db2.gz JPMIKDRCGIEIGV-UHFFFAOYSA-N 0 1 352.409 4.371 20 30 FIEDMN CCN(C(=O)CCc1nc2cccc(C)c2[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000175778193 1081185038 /nfs/dbraw/zinc/18/50/38/1081185038.db2.gz RGHVUUGWQDLUOS-INIZCTEOSA-N 0 1 360.461 4.285 20 30 FIEDMN Cc1nc2ccc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)cc2[nH]1 ZINC000728266271 1081391292 /nfs/dbraw/zinc/39/12/92/1081391292.db2.gz NTMCVBVRLHAFLQ-UHFFFAOYSA-N 0 1 369.428 4.403 20 30 FIEDMN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000471497767 1081483786 /nfs/dbraw/zinc/48/37/86/1081483786.db2.gz UEAFAKMIMVSEGS-HXUWFJFHSA-N 0 1 367.493 4.204 20 30 FIEDMN C[C@@H](NC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000610346005 1081501329 /nfs/dbraw/zinc/50/13/29/1081501329.db2.gz HGJVEEFINUNTDY-ILXRZTDVSA-N 0 1 355.869 4.128 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(C2CCCC2)CC1 ZINC000610370738 1081554881 /nfs/dbraw/zinc/55/48/81/1081554881.db2.gz BFFFMHUTLFCEMP-KRWDZBQOSA-N 0 1 371.500 4.363 20 30 FIEDMN COc1ccc(CN[C@@H](C)c2ccccc2OC)cc1OCCCC#N ZINC000064613616 1081566906 /nfs/dbraw/zinc/56/69/06/1081566906.db2.gz RDQMYLPUVDBTPA-INIZCTEOSA-N 0 1 354.450 4.237 20 30 FIEDMN Cn1ccc2c1cccc2C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000118983829 1081838535 /nfs/dbraw/zinc/83/85/35/1081838535.db2.gz DMHJSSOCIKDMKS-MRXNPFEDSA-N 0 1 358.426 4.187 20 30 FIEDMN N#Cc1csc(CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 ZINC000091936407 1081927558 /nfs/dbraw/zinc/92/75/58/1081927558.db2.gz ASPXRUCMNJXQTG-LJQANCHMSA-N 0 1 354.500 4.417 20 30 FIEDMN CC(=O)CCc1ccc(OCC(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000177778587 1081993708 /nfs/dbraw/zinc/99/37/08/1081993708.db2.gz SQGJUUVICPHSLF-QGZVFWFLSA-N 0 1 370.474 4.043 20 30 FIEDMN CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CCC(C)(C)C#N ZINC001167447475 1082330762 /nfs/dbraw/zinc/33/07/62/1082330762.db2.gz MEEAVBUTLYAVSY-PMACEKPBSA-N 0 1 371.525 4.438 20 30 FIEDMN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCC(C)(C)C#N ZINC001167447478 1082330959 /nfs/dbraw/zinc/33/09/59/1082330959.db2.gz MEEAVBUTLYAVSY-WOJBJXKFSA-N 0 1 371.525 4.438 20 30 FIEDMN CCCNc1ccc(C#N)cc1NC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000610492427 1082425721 /nfs/dbraw/zinc/42/57/21/1082425721.db2.gz KYEYIOGYCXGKJF-UHFFFAOYSA-N 0 1 359.433 4.331 20 30 FIEDMN N#CCCC1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000581307851 1082447616 /nfs/dbraw/zinc/44/76/16/1082447616.db2.gz HQFXALKFPUTIET-QFIPXVFZSA-N 0 1 361.489 4.060 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000510395690 1082492106 /nfs/dbraw/zinc/49/21/06/1082492106.db2.gz JTTFXAJQBCXQJD-LJQANCHMSA-N 0 1 369.390 4.354 20 30 FIEDMN C=CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000656759432 1082752052 /nfs/dbraw/zinc/75/20/52/1082752052.db2.gz GEUAZEKMVFXYOH-ABAIWWIYSA-N 0 1 356.235 4.002 20 30 FIEDMN CC(=O)c1cc(C(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)n(C)c1 ZINC000051151368 1082783850 /nfs/dbraw/zinc/78/38/50/1082783850.db2.gz SHGCXRRZOAQKNW-INIZCTEOSA-N 0 1 363.442 4.150 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](c1ccccn1)C1CCC1 ZINC000625785702 1082789802 /nfs/dbraw/zinc/78/98/02/1082789802.db2.gz RANYEVNHJOYLLT-OXQOHEQNSA-N 0 1 369.534 4.177 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2ccccc2)c1C ZINC000051180612 1082830140 /nfs/dbraw/zinc/83/01/40/1082830140.db2.gz VJUSIWBUTBOONR-QFIPXVFZSA-N 0 1 361.489 4.387 20 30 FIEDMN C#CCOc1ccc([C@H](C)NCc2cccc(C(=O)N[C@@H](C)CC)c2)cc1 ZINC000161073969 1083075436 /nfs/dbraw/zinc/07/54/36/1083075436.db2.gz NTIRLZOYPYIYCO-ROUUACIJSA-N 0 1 364.489 4.078 20 30 FIEDMN CCN(Cc1ccnn1-c1ccccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000430739770 1083142639 /nfs/dbraw/zinc/14/26/39/1083142639.db2.gz IJIGZAJKAVLYRX-QGZVFWFLSA-N 0 1 360.461 4.336 20 30 FIEDMN COC(=O)NCc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000255669129 1083363919 /nfs/dbraw/zinc/36/39/19/1083363919.db2.gz VLRMNIHHIUBFCQ-UHFFFAOYSA-N 0 1 353.205 4.306 20 30 FIEDMN N#CCCCOc1cccc(CN2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000093638070 1083486673 /nfs/dbraw/zinc/48/66/73/1083486673.db2.gz MITCFFYHEGCHKZ-HSZRJFAPSA-N 0 1 362.473 4.043 20 30 FIEDMN C=CCOc1ccc(CNCc2ccc(OC(C)(C)C)nc2)cc1OC ZINC000180888781 1083515104 /nfs/dbraw/zinc/51/51/04/1083515104.db2.gz ZZICJPCDRUMONF-UHFFFAOYSA-N 0 1 356.466 4.122 20 30 FIEDMN Cc1cc([C@@H](C#N)C(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)nc(C)n1 ZINC000892475864 1083594800 /nfs/dbraw/zinc/59/48/00/1083594800.db2.gz OOCVQWYAKZKTHC-SRCQZFHVSA-N 0 1 368.506 4.263 20 30 FIEDMN Cc1sc(NC(=O)CN[C@@H](C)c2cccc(OC(C)C)c2)c(C#N)c1C ZINC000179677946 1083596805 /nfs/dbraw/zinc/59/68/05/1083596805.db2.gz MEDAQNRKLSZBAQ-AWEZNQCLSA-N 0 1 371.506 4.313 20 30 FIEDMN Cc1sc(NC(=O)CN[C@H](C)c2cccc(OC(C)C)c2)c(C#N)c1C ZINC000179677958 1083596965 /nfs/dbraw/zinc/59/69/65/1083596965.db2.gz MEDAQNRKLSZBAQ-CQSZACIVSA-N 0 1 371.506 4.313 20 30 FIEDMN CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000179742234 1083610552 /nfs/dbraw/zinc/61/05/52/1083610552.db2.gz SBHMIPNPGPYUDJ-QGZVFWFLSA-N 0 1 371.868 4.290 20 30 FIEDMN Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NCc1ccc(C#N)cc1F ZINC000610812487 1083726299 /nfs/dbraw/zinc/72/62/99/1083726299.db2.gz GDYZFVXFNRLHSM-ZDUSSCGKSA-N 0 1 359.832 4.166 20 30 FIEDMN CC[C@H](CC1CCCC1)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000413692256 1083741917 /nfs/dbraw/zinc/74/19/17/1083741917.db2.gz KARGRCQJGFAFMS-OAQYLSRUSA-N 0 1 367.537 4.267 20 30 FIEDMN N#Cc1ccc(Br)c(CN[C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000365202225 1083827887 /nfs/dbraw/zinc/82/78/87/1083827887.db2.gz LIIOIAMYDRLHES-VQIMIIECSA-N 0 1 371.278 4.188 20 30 FIEDMN C[C@@H](NCC(=O)N[C@H](c1ccccc1)C1CCCC1)c1ccc(C#N)cc1 ZINC000548936654 1083860797 /nfs/dbraw/zinc/86/07/97/1083860797.db2.gz WRJZYHLLLOQPNX-UZUQRXQVSA-N 0 1 361.489 4.257 20 30 FIEDMN COc1sc(CN[C@H](C)c2cccc(C#N)c2)cc1Br ZINC000610958725 1083883478 /nfs/dbraw/zinc/88/34/78/1083883478.db2.gz HFASMRCKXSLWQP-SNVBAGLBSA-N 0 1 351.269 4.242 20 30 FIEDMN Fc1cc2[nH]c([N-]N=Cc3csc(-c4cccs4)n3)[nH+]c2cc1F ZINC000728426186 1083976062 /nfs/dbraw/zinc/97/60/62/1083976062.db2.gz WXHNIRBADZRAJM-UHFFFAOYSA-N 0 1 361.402 4.472 20 30 FIEDMN Cc1c2ccccc2oc1[C@H](NCc1cnc2c(C#N)cnn2c1)C(C)C ZINC000563154629 1084113074 /nfs/dbraw/zinc/11/30/74/1084113074.db2.gz RPTXNLOOGQDHSA-LJQANCHMSA-N 0 1 359.433 4.143 20 30 FIEDMN C#Cc1ccc(NC(=O)CCN2CCCC[C@H]2c2nc3ccccc3o2)cc1 ZINC001167691404 1084128305 /nfs/dbraw/zinc/12/83/05/1084128305.db2.gz WVPIGVYOHWNOQS-FQEVSTJZSA-N 0 1 373.456 4.365 20 30 FIEDMN O=C(/C=C/c1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(O)c(F)c1 ZINC000728439227 1084162345 /nfs/dbraw/zinc/16/23/45/1084162345.db2.gz YKMWGXHMYAQYIR-HWKANZROSA-N 0 1 369.373 4.280 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)CCCc2ccccc2)c1C ZINC000533881651 1084196890 /nfs/dbraw/zinc/19/68/90/1084196890.db2.gz PSCMETIZPZFVPH-UHFFFAOYSA-N 0 1 363.505 4.115 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN(C)CCCc2ccccc2)c1C ZINC000533881651 1084196901 /nfs/dbraw/zinc/19/69/01/1084196901.db2.gz PSCMETIZPZFVPH-UHFFFAOYSA-N 0 1 363.505 4.115 20 30 FIEDMN C[C@@H](NCCSCc1ccccc1C#N)c1nc2c(s1)CCCC2 ZINC000539074201 1084310405 /nfs/dbraw/zinc/31/04/05/1084310405.db2.gz JNBPCEGCVZJKLA-CQSZACIVSA-N 0 1 357.548 4.478 20 30 FIEDMN N#Cc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1Cl ZINC000548630252 1084364124 /nfs/dbraw/zinc/36/41/24/1084364124.db2.gz SAEPCSRERFIKQE-LBPRGKRZSA-N 0 1 370.746 4.447 20 30 FIEDMN N#Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1Cl ZINC000548630252 1084364137 /nfs/dbraw/zinc/36/41/37/1084364137.db2.gz SAEPCSRERFIKQE-LBPRGKRZSA-N 0 1 370.746 4.447 20 30 FIEDMN CC(C)Oc1ccccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180097202 1084391271 /nfs/dbraw/zinc/39/12/71/1084391271.db2.gz KOSHYTDSUNMVGM-UHFFFAOYSA-N 0 1 360.461 4.036 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)NC1(C#N)CCCCC1 ZINC000066391213 1084428880 /nfs/dbraw/zinc/42/88/80/1084428880.db2.gz GYAMUGHQCCIJKF-UONOGXRCSA-N 0 1 367.415 4.087 20 30 FIEDMN N#Cc1csc(CN2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000580705878 1084461656 /nfs/dbraw/zinc/46/16/56/1084461656.db2.gz AJQYOQPXDZEKDK-HNNXBMFYSA-N 0 1 357.870 4.272 20 30 FIEDMN N#CC(C(=O)C1C[C@H]2CC[C@@H](C1)S2)c1nc2ccccc2n1C(F)F ZINC000892537310 1084546767 /nfs/dbraw/zinc/54/67/67/1084546767.db2.gz AMKSPVKHYIRTJN-PSEXLTFBSA-N 0 1 361.417 4.282 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)n1 ZINC000613286811 1084551429 /nfs/dbraw/zinc/55/14/29/1084551429.db2.gz UZTNJJXKXXBHTJ-YOEHRIQHSA-N 0 1 363.442 4.477 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)n1 ZINC000613286811 1084551441 /nfs/dbraw/zinc/55/14/41/1084551441.db2.gz UZTNJJXKXXBHTJ-YOEHRIQHSA-N 0 1 363.442 4.477 20 30 FIEDMN CC(C)c1noc2ncc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc21 ZINC000613290813 1084552914 /nfs/dbraw/zinc/55/29/14/1084552914.db2.gz MRJCUFGDXIKVEZ-INIZCTEOSA-N 0 1 356.385 4.384 20 30 FIEDMN N#CC(C(=O)CSCc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000066507046 1084591033 /nfs/dbraw/zinc/59/10/33/1084591033.db2.gz QPKFNCXBOANXNT-CYBMUJFWSA-N 0 1 351.258 4.498 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c1 ZINC000072091051 1084670023 /nfs/dbraw/zinc/67/00/23/1084670023.db2.gz XKTZLGGUUDEHRQ-OAQYLSRUSA-N 0 1 350.462 4.245 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000072091050 1084670253 /nfs/dbraw/zinc/67/02/53/1084670253.db2.gz XKTZLGGUUDEHRQ-NRFANRHFSA-N 0 1 350.462 4.245 20 30 FIEDMN N#CC(C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nc2ccccc2o1 ZINC000174014993 1084720465 /nfs/dbraw/zinc/72/04/65/1084720465.db2.gz QUBRWIWYFZOVFA-HNNXBMFYSA-N 0 1 370.368 4.245 20 30 FIEDMN COc1ccc([C@@H](C)NCc2cccc(C#N)c2F)cc1Br ZINC000540368873 1084788106 /nfs/dbraw/zinc/78/81/06/1084788106.db2.gz HRODSRQCEFNYQU-LLVKDONJSA-N 0 1 363.230 4.319 20 30 FIEDMN COc1ccc(OC)c(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000120017888 1084808803 /nfs/dbraw/zinc/80/88/03/1084808803.db2.gz ZSBFXSOUXGMFAC-CYBMUJFWSA-N 0 1 372.833 4.457 20 30 FIEDMN Cc1c(F)cccc1S(=O)(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000174717164 1084819196 /nfs/dbraw/zinc/81/91/96/1084819196.db2.gz XWMQXEHZDJRHIB-LBPRGKRZSA-N 0 1 364.467 4.187 20 30 FIEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)[nH]1 ZINC000472556069 1084842418 /nfs/dbraw/zinc/84/24/18/1084842418.db2.gz ADNHLZXPVVICQX-INIZCTEOSA-N 0 1 374.444 4.150 20 30 FIEDMN CC[N@H+](Cc1ccc(C#N)s1)Cc1cc(Br)ccc1[O-] ZINC000180221403 1084916250 /nfs/dbraw/zinc/91/62/50/1084916250.db2.gz YLEXYFYUAXIUND-UHFFFAOYSA-N 0 1 351.269 4.110 20 30 FIEDMN CC[N@@H+](Cc1ccc(C#N)s1)Cc1cc(Br)ccc1[O-] ZINC000180221403 1084916254 /nfs/dbraw/zinc/91/62/54/1084916254.db2.gz YLEXYFYUAXIUND-UHFFFAOYSA-N 0 1 351.269 4.110 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000478769963 1085010937 /nfs/dbraw/zinc/01/09/37/1085010937.db2.gz IDTMAVIJIVBGRB-UHFFFAOYSA-N 0 1 367.518 4.172 20 30 FIEDMN N#CC(C(=O)c1cccc(OCC(F)(F)F)c1)c1nc2ccccc2o1 ZINC000431414488 1085013542 /nfs/dbraw/zinc/01/35/42/1085013542.db2.gz MXXAZXWHMCPEPR-CYBMUJFWSA-N 0 1 360.291 4.259 20 30 FIEDMN CCOc1ccccc1CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000113326412 1085112290 /nfs/dbraw/zinc/11/22/90/1085112290.db2.gz XXVPCBWMJGNNSU-UHFFFAOYSA-N 0 1 360.461 4.152 20 30 FIEDMN Cc1cccc2nc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)[nH]c21 ZINC000431462607 1085233093 /nfs/dbraw/zinc/23/30/93/1085233093.db2.gz CBUWDGPFPQPUHD-QGZVFWFLSA-N 0 1 361.449 4.106 20 30 FIEDMN N#CCc1ccc(NS(=O)(=O)c2csc3ccc(Cl)cc32)cc1 ZINC000432208633 1085260493 /nfs/dbraw/zinc/26/04/93/1085260493.db2.gz RHPWUUXWSZBOFA-UHFFFAOYSA-N 0 1 362.863 4.422 20 30 FIEDMN CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@H](C)Cc1ccsc1 ZINC000187776631 1085417262 /nfs/dbraw/zinc/41/72/62/1085417262.db2.gz WICKMQPUDFESDL-GFCCVEGCSA-N 0 1 361.536 4.190 20 30 FIEDMN C=CC[C@H]1CCCN(Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000661376405 1085538768 /nfs/dbraw/zinc/53/87/68/1085538768.db2.gz BPFQZMNMAJNKJG-ZDUSSCGKSA-N 0 1 362.271 4.287 20 30 FIEDMN C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000661380655 1085539946 /nfs/dbraw/zinc/53/99/46/1085539946.db2.gz HZIFTMODHZCZKB-RBUKOAKNSA-N 0 1 366.509 4.104 20 30 FIEDMN CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)Cc1ccsc1 ZINC000187802409 1085567932 /nfs/dbraw/zinc/56/79/32/1085567932.db2.gz VRMNUWVXGAKCKD-ZDUSSCGKSA-N 0 1 361.898 4.165 20 30 FIEDMN C=CCOc1ccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 ZINC000109021105 1085581781 /nfs/dbraw/zinc/58/17/81/1085581781.db2.gz ZZADPMMRUQFEPP-LJQANCHMSA-N 0 1 363.417 4.232 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1C#N ZINC000045820573 1085601652 /nfs/dbraw/zinc/60/16/52/1085601652.db2.gz RXQRFSMZQPBBMF-STQMWFEESA-N 0 1 361.367 4.255 20 30 FIEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC2CCC(OC)CC2)cc1 ZINC000136617006 1085656654 /nfs/dbraw/zinc/65/66/54/1085656654.db2.gz VHXVKNKXEZWMRW-LYBXBRPPSA-N 0 1 370.493 4.272 20 30 FIEDMN Cc1ccn(-c2ccc(C(=O)C(C#N)c3nc4ccccc4s3)cc2)n1 ZINC000048824275 1085707509 /nfs/dbraw/zinc/70/75/09/1085707509.db2.gz GKURMZXCJUYODY-INIZCTEOSA-N 0 1 358.426 4.281 20 30 FIEDMN FC(F)(F)c1ccc(C#CCNCc2c[nH]nc2-c2ccccc2)cc1 ZINC000237870093 1085948927 /nfs/dbraw/zinc/94/89/27/1085948927.db2.gz MKFOBNPJLSRCRQ-UHFFFAOYSA-N 0 1 355.363 4.237 20 30 FIEDMN Cn1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c(-c2ccccc2)n1 ZINC000091437990 1085985358 /nfs/dbraw/zinc/98/53/58/1085985358.db2.gz TVJAYTZDBJLPME-QGZVFWFLSA-N 0 1 352.397 4.125 20 30 FIEDMN N#C[C@H](c1ccc(Cl)cc1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000585717269 1086669301 /nfs/dbraw/zinc/66/93/01/1086669301.db2.gz HMDDEQDOFPJXNO-HXUWFJFHSA-N 0 1 357.860 4.252 20 30 FIEDMN COCC[C@@H](NCc1ccnc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000585754874 1086688326 /nfs/dbraw/zinc/68/83/26/1086688326.db2.gz JNNWVOXHCABSKP-QGZVFWFLSA-N 0 1 350.249 4.127 20 30 FIEDMN COc1ccc([C@H](NCc2cnc3ccc(C#N)cn23)c2ccccc2)cc1 ZINC000585766713 1086694513 /nfs/dbraw/zinc/69/45/13/1086694513.db2.gz JNWQQVQAJHSWHX-HSZRJFAPSA-N 0 1 368.440 4.094 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245440787 1086783030 /nfs/dbraw/zinc/78/30/30/1086783030.db2.gz GSTBQHQEEUPKSM-SOLBZPMBSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000245440787 1086783035 /nfs/dbraw/zinc/78/30/35/1086783035.db2.gz GSTBQHQEEUPKSM-SOLBZPMBSA-N 0 1 357.523 4.141 20 30 FIEDMN Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)c(OC[C@H]2CCOC2)c1 ZINC000583782010 1086961000 /nfs/dbraw/zinc/96/10/00/1086961000.db2.gz NUXUOQQBFRWHHD-PGRDOPGGSA-N 0 1 362.473 4.059 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC[C@H](C2CC2)C1 ZINC000329655614 1087154677 /nfs/dbraw/zinc/15/46/77/1087154677.db2.gz MHQJEPRPZHXYPV-SFHVURJKSA-N 0 1 352.482 4.199 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C(C)(C)c1ccc(F)cc1F ZINC000892420639 1087693132 /nfs/dbraw/zinc/69/31/32/1087693132.db2.gz VHMRPKJTCISGFA-CYBMUJFWSA-N 0 1 353.372 4.006 20 30 FIEDMN N#C[C@@H](C(=O)c1cc2cc(Cl)ccc2s1)c1nnc2n1CCCCC2 ZINC000659054087 1087986289 /nfs/dbraw/zinc/98/62/89/1087986289.db2.gz WJBZISNISLEIMS-ZDUSSCGKSA-N 0 1 370.865 4.363 20 30 FIEDMN N#CC(C(=O)c1cc2cc(Cl)ccc2s1)c1nnc2n1CCCCC2 ZINC000659054087 1087986297 /nfs/dbraw/zinc/98/62/97/1087986297.db2.gz WJBZISNISLEIMS-ZDUSSCGKSA-N 0 1 370.865 4.363 20 30 FIEDMN C=CCCc1ccccc1NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000505024552 1088059591 /nfs/dbraw/zinc/05/95/91/1088059591.db2.gz UZKIPIURXXBEQX-HXUWFJFHSA-N 0 1 355.457 4.369 20 30 FIEDMN COc1ccc(-c2n[nH]c(S[C@H](C)c3cccc(C#N)c3)n2)c(OC)c1 ZINC000189839463 1088651396 /nfs/dbraw/zinc/65/13/96/1088651396.db2.gz BMUSOHFZLRHJGT-GFCCVEGCSA-N 0 1 366.446 4.214 20 30 FIEDMN CC(C)(C)NC(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000505426539 1088714731 /nfs/dbraw/zinc/71/47/31/1088714731.db2.gz HZDIFJDUKVKXNN-XACAWQSSSA-N 0 1 357.523 4.133 20 30 FIEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000179024808 1088735836 /nfs/dbraw/zinc/73/58/36/1088735836.db2.gz MDKMZPLRKAWDQV-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN CC(C)C[C@@H](N)c1noc(-c2cccc(COc3ccc(C#N)cc3)c2)n1 ZINC000414615880 1088894881 /nfs/dbraw/zinc/89/48/81/1088894881.db2.gz JEJHYDRNFMOUQU-LJQANCHMSA-N 0 1 362.433 4.233 20 30 FIEDMN CC(C)C[C@@H](N)c1noc(-c2ccc(OCc3ccccc3C#N)cc2)n1 ZINC000414625918 1088912119 /nfs/dbraw/zinc/91/21/19/1088912119.db2.gz XJVGZCKFCCCXSX-LJQANCHMSA-N 0 1 362.433 4.233 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCC(C)(C)CCC#N)[nH]c2c1 ZINC000377028577 1088980320 /nfs/dbraw/zinc/98/03/20/1088980320.db2.gz GTGYDJVTRGAORA-KRWDZBQOSA-N 0 1 353.470 4.048 20 30 FIEDMN CC(=Cc1ccc(Oc2cccc(F)c2)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435337402 1089541605 /nfs/dbraw/zinc/54/16/05/1089541605.db2.gz VRPQJMSJRIJSCL-RAXLEYEMSA-N 0 1 361.376 4.442 20 30 FIEDMN COc1ccc(Oc2ccc(C=C(C)c3nc(C)c(C#N)c(=O)[nH]3)cc2)cc1 ZINC000435339515 1089546102 /nfs/dbraw/zinc/54/61/02/1089546102.db2.gz UVNICXZFOULBDR-OWBHPGMISA-N 0 1 373.412 4.311 20 30 FIEDMN N#Cc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1Cl ZINC000515229716 1089902097 /nfs/dbraw/zinc/90/20/97/1089902097.db2.gz YRUUSZLLYYJYPQ-KRWDZBQOSA-N 0 1 372.856 4.153 20 30 FIEDMN Cc1cc(-c2ncccc2NS(=O)(=O)c2ccc(C#N)c(C)c2)cs1 ZINC000435732468 1089915491 /nfs/dbraw/zinc/91/54/91/1089915491.db2.gz PCGGGBFJFHXMAH-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN CC(C)[C@@H](NCc1ccc(Cl)cc1C#N)c1ccc2c(c1)OCCO2 ZINC000480888803 1090000523 /nfs/dbraw/zinc/00/05/23/1090000523.db2.gz ZQUWBGFBMHOQJR-HXUWFJFHSA-N 0 1 356.853 4.470 20 30 FIEDMN C=CCOc1ccc(CN[C@H](C[S@@](C)=O)c2ccccc2)cc1Cl ZINC000182095216 1090049356 /nfs/dbraw/zinc/04/93/56/1090049356.db2.gz ROZPBYZOYCFEAY-HOYKHHGWSA-N 0 1 363.910 4.114 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)o1 ZINC000092966522 1090107412 /nfs/dbraw/zinc/10/74/12/1090107412.db2.gz KKNGCRPPNFJGFJ-CQSZACIVSA-N 0 1 368.824 4.234 20 30 FIEDMN N#Cc1ccc(CN(Cc2ccccc2)C[C@H](O)c2cccs2)s1 ZINC000180219066 1090175167 /nfs/dbraw/zinc/17/51/67/1090175167.db2.gz JLFJKWRJICQZJZ-SFHVURJKSA-N 0 1 354.500 4.417 20 30 FIEDMN CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc3c2OCCCO3)s1 ZINC000651352689 1090280764 /nfs/dbraw/zinc/28/07/64/1090280764.db2.gz FXLZOBNFCGKZPG-ZDUSSCGKSA-N 0 1 356.447 4.092 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc3c2OCCCO3)s1 ZINC000651352689 1090280769 /nfs/dbraw/zinc/28/07/69/1090280769.db2.gz FXLZOBNFCGKZPG-ZDUSSCGKSA-N 0 1 356.447 4.092 20 30 FIEDMN N#Cc1csc(C[NH2+][C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000417566495 1090929370 /nfs/dbraw/zinc/92/93/70/1090929370.db2.gz IKBJIHBKRJHVEU-ZDUSSCGKSA-N 0 1 370.261 4.017 20 30 FIEDMN C#CCCCCCC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000780921658 1091005091 /nfs/dbraw/zinc/00/50/91/1091005091.db2.gz QDEIXTSQQYGUCG-UHFFFAOYSA-N 0 1 370.474 4.010 20 30 FIEDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418139181 1091078423 /nfs/dbraw/zinc/07/84/23/1091078423.db2.gz DTUZIXSQYYDQFR-IBGZPJMESA-N 0 1 351.406 4.032 20 30 FIEDMN CSc1ccc([C@H](C)NCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000500225023 1091115402 /nfs/dbraw/zinc/11/54/02/1091115402.db2.gz FGCPZJHDKSMQFG-INIZCTEOSA-N 0 1 353.491 4.006 20 30 FIEDMN CSc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000500234225 1091121618 /nfs/dbraw/zinc/12/16/18/1091121618.db2.gz VVUVPDFFZYLLJY-STQMWFEESA-N 0 1 357.479 4.168 20 30 FIEDMN C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](OCC)[C@@H](C)C2)cc1OC ZINC000628299392 1091385648 /nfs/dbraw/zinc/38/56/48/1091385648.db2.gz NOEBMKHHLLKYFF-WMLDXEAASA-N 0 1 353.890 4.160 20 30 FIEDMN C=CCOc1c(Cl)cc(CN2CC[C@@H](OCC)[C@@H](C)C2)cc1OC ZINC000628299392 1091385657 /nfs/dbraw/zinc/38/56/57/1091385657.db2.gz NOEBMKHHLLKYFF-WMLDXEAASA-N 0 1 353.890 4.160 20 30 FIEDMN C=CCOc1ccc(CN2CCC(Nc3nc(C)cs3)CC2)cc1OC ZINC000473064772 1091506591 /nfs/dbraw/zinc/50/65/91/1091506591.db2.gz KNJGBMCKRBFVDW-UHFFFAOYSA-N 0 1 373.522 4.101 20 30 FIEDMN CC(C)(c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1)C(F)(F)F ZINC000432063020 1091580319 /nfs/dbraw/zinc/58/03/19/1091580319.db2.gz AQBWYHWFVLCGHJ-UHFFFAOYSA-N 0 1 368.380 4.199 20 30 FIEDMN Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(OC[C@H]2CCCO2)c1 ZINC000124274458 1091748908 /nfs/dbraw/zinc/74/89/08/1091748908.db2.gz AKNWCEFYBFLSKN-LAUBAEHRSA-N 0 1 350.462 4.275 20 30 FIEDMN C[C@@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000624045490 1091958095 /nfs/dbraw/zinc/95/80/95/1091958095.db2.gz JNZRVOXGYURTER-NOZJJQNGSA-N 0 1 369.284 4.495 20 30 FIEDMN C[C@H](Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)c1ccc(C#N)cc1F ZINC000512276921 1092000259 /nfs/dbraw/zinc/00/02/59/1092000259.db2.gz AQHARZADSSBUBB-ZACQAIPSSA-N 0 1 367.468 4.480 20 30 FIEDMN C[C@H](Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(C#N)cc1F ZINC000512276918 1092000653 /nfs/dbraw/zinc/00/06/53/1092000653.db2.gz AQHARZADSSBUBB-BBWFWOEESA-N 0 1 367.468 4.480 20 30 FIEDMN C#CCCOc1ccc(CNCc2cc3c(cc2OCC)C[C@H](C)O3)cc1 ZINC000236874053 1092108772 /nfs/dbraw/zinc/10/87/72/1092108772.db2.gz FJUYQZJUETUWIK-KRWDZBQOSA-N 0 1 365.473 4.101 20 30 FIEDMN CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccccc1C(C)(C)C#N ZINC000487412644 1092313811 /nfs/dbraw/zinc/31/38/11/1092313811.db2.gz JTYZESNXGUWQBS-UHFFFAOYSA-N 0 1 367.468 4.476 20 30 FIEDMN C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000520878692 1092324728 /nfs/dbraw/zinc/32/47/28/1092324728.db2.gz MFUOLFLLSNTUCE-IBGZPJMESA-N 0 1 373.472 4.199 20 30 FIEDMN C=CCC[C@H](NC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1)c1ccccc1 ZINC000487412882 1092359572 /nfs/dbraw/zinc/35/95/72/1092359572.db2.gz RJFSLVKXEBUSPE-VYDXJSESSA-N 0 1 355.486 4.386 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2c(C)c(C)sc2Br)n1 ZINC000442024602 1092390824 /nfs/dbraw/zinc/39/08/24/1092390824.db2.gz LIFHFGNQAHIHDZ-VIFPVBQESA-N 0 1 355.282 4.382 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-n4cccc4)c(F)c3)[nH]c21 ZINC000521109746 1092506621 /nfs/dbraw/zinc/50/66/21/1092506621.db2.gz IZPPPNCHDJLDEO-OAHLLOKOSA-N 0 1 358.376 4.291 20 30 FIEDMN N#C[C@H](NC(=O)c1cc(F)cc2nc[nH]c21)c1c(Cl)cccc1Cl ZINC000521241563 1092599252 /nfs/dbraw/zinc/59/92/52/1092599252.db2.gz RBVKTOMDZHSYSR-ZDUSSCGKSA-N 0 1 363.179 4.003 20 30 FIEDMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168936 1093040697 /nfs/dbraw/zinc/04/06/97/1093040697.db2.gz JSHIPAGSWZMCGF-PUAOIOHZSA-N 0 1 354.519 4.418 20 30 FIEDMN CC(C)(C#N)c1ccc(CN[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000614182504 1093083261 /nfs/dbraw/zinc/08/32/61/1093083261.db2.gz UDZOSIJWLNVJQF-SFHVURJKSA-N 0 1 373.294 4.073 20 30 FIEDMN N#Cc1ccc(CN2CCC(c3ccc(O)cc3)CC2)c(OC(F)F)c1 ZINC000433204120 1093412196 /nfs/dbraw/zinc/41/21/96/1093412196.db2.gz FAKDBESNXASIKB-UHFFFAOYSA-N 0 1 358.388 4.245 20 30 FIEDMN N#Cc1ccc(F)c(CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000025438841 1093777913 /nfs/dbraw/zinc/77/79/13/1093777913.db2.gz PMQQVVIQRDLVIT-UHFFFAOYSA-N 0 1 357.860 4.059 20 30 FIEDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000513077939 1093780322 /nfs/dbraw/zinc/78/03/22/1093780322.db2.gz WEVWGZNTDNHPCR-HKKHYUGTSA-N 0 1 367.537 4.242 20 30 FIEDMN COC(=O)C[C@](C)(NCc1ccccc1C(C)(C)C#N)c1cccc(F)c1 ZINC000513129033 1093867698 /nfs/dbraw/zinc/86/76/98/1093867698.db2.gz VBMFJOXLKLUPGC-QFIPXVFZSA-N 0 1 368.452 4.195 20 30 FIEDMN C[C@@H]1C[C@H](c2ccccc2)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000513237232 1094031230 /nfs/dbraw/zinc/03/12/30/1094031230.db2.gz WOKKFFQCMBNKRH-AUUYWEPGSA-N 0 1 353.853 4.233 20 30 FIEDMN C[C@H](NCc1ccc(C#N)cc1Br)c1ccc2n[nH]cc2c1 ZINC000513412315 1094112468 /nfs/dbraw/zinc/11/24/68/1094112468.db2.gz XTMXKURIOFYATP-NSHDSACASA-N 0 1 355.239 4.048 20 30 FIEDMN N#CC(=C([O-])c1cc(-c2ccccc2Cl)[nH]n1)c1nc2ccccc2[nH]1 ZINC000041494347 1094619977 /nfs/dbraw/zinc/61/99/77/1094619977.db2.gz FZYKPWRSUKRPNR-LBPRGKRZSA-N 0 1 361.792 4.096 20 30 FIEDMN CC(C)c1cccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000474833466 1094732942 /nfs/dbraw/zinc/73/29/42/1094732942.db2.gz LYKULTXYVLCWNU-LBPRGKRZSA-N 0 1 354.360 4.440 20 30 FIEDMN Cc1cc(C2CC[NH+]([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n[nH]1 ZINC000329147246 1094755248 /nfs/dbraw/zinc/75/52/48/1094755248.db2.gz AVZCVRRJGIJIHB-NOCBQHASSA-N 0 1 370.541 4.211 20 30 FIEDMN Cc1cc(C2CCN([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n[nH]1 ZINC000329147246 1094755266 /nfs/dbraw/zinc/75/52/66/1094755266.db2.gz AVZCVRRJGIJIHB-NOCBQHASSA-N 0 1 370.541 4.211 20 30 FIEDMN Cc1cc(C2CCN([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)[nH]n1 ZINC000329147246 1094755272 /nfs/dbraw/zinc/75/52/72/1094755272.db2.gz AVZCVRRJGIJIHB-NOCBQHASSA-N 0 1 370.541 4.211 20 30 FIEDMN CC1(C)CC[C@@H]2C[C@H]([NH+]=C([O-])N[C@@H]3CCc4c[nH]nc4C3)c3cccc1c32 ZINC000329241568 1094795300 /nfs/dbraw/zinc/79/53/00/1094795300.db2.gz RTXGOLDBUMQKDS-MUKKUYKPSA-N 0 1 364.493 4.071 20 30 FIEDMN CC1(C)CC[C@@H]2C[C@H](NC([O-])=[NH+][C@@H]3CCc4c[nH]nc4C3)c3cccc1c32 ZINC000329241568 1094795313 /nfs/dbraw/zinc/79/53/13/1094795313.db2.gz RTXGOLDBUMQKDS-MUKKUYKPSA-N 0 1 364.493 4.071 20 30 FIEDMN N#Cc1c2c(sc1NC(=O)CCN1CCCc3occc3C1)CCC2 ZINC000329281240 1094816995 /nfs/dbraw/zinc/81/69/95/1094816995.db2.gz ABOGTMYIGKVGQQ-UHFFFAOYSA-N 0 1 355.463 4.128 20 30 FIEDMN O=C(Nc1nc(C2CC2)cs1)N1CCCn2c(cc3ccccc32)C1 ZINC000329403988 1094883028 /nfs/dbraw/zinc/88/30/28/1094883028.db2.gz ZXIPZVLAFNCPFX-UHFFFAOYSA-N 0 1 352.463 4.427 20 30 FIEDMN CCN(CCc1ccc(OC)cc1)Cc1cc(Br)ccc1C#N ZINC001141907625 1094927162 /nfs/dbraw/zinc/92/71/62/1094927162.db2.gz HTLHOKKAAGRAQF-UHFFFAOYSA-N 0 1 373.294 4.394 20 30 FIEDMN C[C@@H]1CCN(C(=O)Nc2nc3c(s2)CCCC3(C)C)C[C@@H]1n1ccnc1 ZINC000329562229 1094974884 /nfs/dbraw/zinc/97/48/84/1094974884.db2.gz JMIWKJNEUOSOPH-KGLIPLIRSA-N 0 1 373.526 4.082 20 30 FIEDMN Cc1ncc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)s1 ZINC000329574768 1094980377 /nfs/dbraw/zinc/98/03/77/1094980377.db2.gz VJWCOBHXRGJACN-OAHLLOKOSA-N 0 1 373.526 4.332 20 30 FIEDMN CC1(C)C[C@H](NC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)c2ccccc21 ZINC000329600464 1094993828 /nfs/dbraw/zinc/99/38/28/1094993828.db2.gz KDCWYFIQUNIFJQ-PBHICJAKSA-N 0 1 358.873 4.120 20 30 FIEDMN Cc1cccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCc3nc[nH]c3C2)c1C ZINC000329608918 1094998733 /nfs/dbraw/zinc/99/87/33/1094998733.db2.gz ITQRIXDYEVBPJD-UZLBHIALSA-N 0 1 352.482 4.025 20 30 FIEDMN N#Cc1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000016101593 1095000938 /nfs/dbraw/zinc/00/09/38/1095000938.db2.gz HUNXWIHZUGALEC-UHFFFAOYSA-N 0 1 350.399 4.151 20 30 FIEDMN CC[C@@H]1C[C@@H](C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)CC(=O)N1 ZINC000329633058 1095033160 /nfs/dbraw/zinc/03/31/60/1095033160.db2.gz WYROALUMKOEORR-HSMVNMDESA-N 0 1 356.426 4.148 20 30 FIEDMN Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCC(OCC3CC3)CC2)c(C)c1 ZINC000329691041 1095146228 /nfs/dbraw/zinc/14/62/28/1095146228.db2.gz DITAXENMZRKSNN-INIZCTEOSA-N 0 1 373.497 4.085 20 30 FIEDMN C=C(C)[C@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000420921080 1095164315 /nfs/dbraw/zinc/16/43/15/1095164315.db2.gz LFHSLLWRMFNFCK-QFIPXVFZSA-N 0 1 372.459 4.204 20 30 FIEDMN C[C@H](NC(=O)N(C)C1Cc2ccccc2C1)c1nc(C2CCCCC2)no1 ZINC000329829473 1095282417 /nfs/dbraw/zinc/28/24/17/1095282417.db2.gz JSTKPRQHPVQWOV-AWEZNQCLSA-N 0 1 368.481 4.192 20 30 FIEDMN Cc1nc(NC(=O)[C@H]2CCCN2C2CCCC2)sc1SCC#N ZINC000330147750 1095395191 /nfs/dbraw/zinc/39/51/91/1095395191.db2.gz UHZFBOPAHXADMK-CYBMUJFWSA-N 0 1 350.513 4.062 20 30 FIEDMN O=C(Nc1cccc(COC2CCCCC2)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330147084 1095395632 /nfs/dbraw/zinc/39/56/32/1095395632.db2.gz IKIXDQCGOVIETP-LJQANCHMSA-N 0 1 368.481 4.472 20 30 FIEDMN Cc1cc(CN[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)ccc1C#N ZINC000443973267 1095405489 /nfs/dbraw/zinc/40/54/89/1095405489.db2.gz YTNCFKRMGDQTJQ-QHCPKHFHSA-N 0 1 369.468 4.206 20 30 FIEDMN CCn1cc(-c2[nH]ncc2C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)cn1 ZINC000330258897 1095437434 /nfs/dbraw/zinc/43/74/34/1095437434.db2.gz MWQSPQYZQOFMOS-INIZCTEOSA-N 0 1 367.453 4.213 20 30 FIEDMN CC[C@H]1C[C@]1(NCC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(C)c1 ZINC000502478383 1095507336 /nfs/dbraw/zinc/50/73/36/1095507336.db2.gz BQBVJSJMUZSRDH-HRAATJIYSA-N 0 1 367.880 4.374 20 30 FIEDMN Cc1csc(C(C#N)=C([O-])c2cccc(C(=O)Nc3ccccc3)c2)n1 ZINC000513750177 1095676224 /nfs/dbraw/zinc/67/62/24/1095676224.db2.gz CDFKUTCENWMTBX-KRWDZBQOSA-N 0 1 361.426 4.194 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)n1 ZINC000513750177 1095676230 /nfs/dbraw/zinc/67/62/30/1095676230.db2.gz CDFKUTCENWMTBX-KRWDZBQOSA-N 0 1 361.426 4.194 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Br)s3)[nH]c21 ZINC000522828974 1095748655 /nfs/dbraw/zinc/74/86/55/1095748655.db2.gz GRXQABAZBYBLNV-VIFPVBQESA-N 0 1 360.236 4.185 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H]3CCC[C@H]32)c1C#N ZINC000444182311 1095819152 /nfs/dbraw/zinc/81/91/52/1095819152.db2.gz KXXMZWHWZPSMOE-FXAWDEMLSA-N 0 1 368.525 4.295 20 30 FIEDMN CCSc1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000502808543 1095857602 /nfs/dbraw/zinc/85/76/02/1095857602.db2.gz GNGXVWJMTAPRDL-UHFFFAOYSA-N 0 1 352.868 4.124 20 30 FIEDMN CCC(CC)CN(CCC#N)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000444231472 1095889466 /nfs/dbraw/zinc/88/94/66/1095889466.db2.gz FNDHVQCLIABVOS-UHFFFAOYSA-N 0 1 360.889 4.192 20 30 FIEDMN N#Cc1ccc(CN[C@H]2CCCOc3cc(Br)ccc32)s1 ZINC000421879430 1095972538 /nfs/dbraw/zinc/97/25/38/1095972538.db2.gz NDKCBSJUXNZUIU-HNNXBMFYSA-N 0 1 363.280 4.386 20 30 FIEDMN N#Cc1ccc(CN[C@@H]2CCCOc3c(Br)cccc32)s1 ZINC000421885251 1095974989 /nfs/dbraw/zinc/97/49/89/1095974989.db2.gz RAQYYRVAJMMUGU-OAHLLOKOSA-N 0 1 363.280 4.386 20 30 FIEDMN Clc1cccc(C#CCN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000503170775 1096105110 /nfs/dbraw/zinc/10/51/10/1096105110.db2.gz RHKJAMUDPPRZEB-IBGZPJMESA-N 0 1 362.864 4.314 20 30 FIEDMN Clc1cccc(C#CCN2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000503170775 1096105112 /nfs/dbraw/zinc/10/51/12/1096105112.db2.gz RHKJAMUDPPRZEB-IBGZPJMESA-N 0 1 362.864 4.314 20 30 FIEDMN CC1(C#N)CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)CC1 ZINC000273546207 1096273155 /nfs/dbraw/zinc/27/31/55/1096273155.db2.gz AFPMVTIRHIZYKQ-UHFFFAOYSA-N 0 1 350.447 4.057 20 30 FIEDMN C[C@@H]1CCN(CC(=O)Nc2ccccc2SCC#N)[C@H]2CCCC[C@@H]12 ZINC000532917963 1098608116 /nfs/dbraw/zinc/60/81/16/1098608116.db2.gz MCBPKXUZGBKGPY-RYRKJORJSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000532976916 1098646291 /nfs/dbraw/zinc/64/62/91/1098646291.db2.gz RGLOKDGNOXWISF-RHSMWYFYSA-N 0 1 353.853 4.028 20 30 FIEDMN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NCc2nc(C#N)cs2)cc1 ZINC000516119474 1099198546 /nfs/dbraw/zinc/19/85/46/1099198546.db2.gz MLDQVJJEZFBGHO-RBUKOAKNSA-N 0 1 371.506 4.283 20 30 FIEDMN C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)OCC ZINC000533704995 1099344171 /nfs/dbraw/zinc/34/41/71/1099344171.db2.gz YVIVZKWPVZWYMZ-IAGOWNOFSA-N 0 1 361.873 4.251 20 30 FIEDMN CCOc1cc(-c2noc(Cc3c(F)cccc3C#N)n2)cc(Cl)c1O ZINC000436877060 1099388296 /nfs/dbraw/zinc/38/82/96/1099388296.db2.gz MSPOQTQEMFAZPF-UHFFFAOYSA-N 0 1 373.771 4.096 20 30 FIEDMN CC(=O)c1ccc(O)c(NC(=O)c2sc3ccc(C#N)cc3c2C)c1 ZINC000436934414 1099447822 /nfs/dbraw/zinc/44/78/22/1099447822.db2.gz LOSKZWBKPQYAKL-UHFFFAOYSA-N 0 1 350.399 4.242 20 30 FIEDMN C=C(C)CN(CC)C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000078486164 1099571066 /nfs/dbraw/zinc/57/10/66/1099571066.db2.gz RHHDMDOOJUZWJV-UHFFFAOYSA-N 0 1 373.522 4.044 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1CNCc1cccc(OCCCC#N)c1 ZINC000237855744 1099828588 /nfs/dbraw/zinc/82/85/88/1099828588.db2.gz XZWITGGBMIBTBZ-UHFFFAOYSA-N 0 1 374.488 4.462 20 30 FIEDMN C=C(C)[C@H](CC(=O)Nc1cc(Cl)cc(Br)c1O)OCC ZINC000533782242 1099928551 /nfs/dbraw/zinc/92/85/51/1099928551.db2.gz GHPJFRRXWBWHMX-LBPRGKRZSA-N 0 1 362.651 4.118 20 30 FIEDMN COc1ccc(CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1C#N ZINC000438283472 1100580046 /nfs/dbraw/zinc/58/00/46/1100580046.db2.gz NSHWSTMHPAEQJZ-SFHVURJKSA-N 0 1 366.852 4.434 20 30 FIEDMN CN(Cc1ccc(C#N)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438487640 1100688096 /nfs/dbraw/zinc/68/80/96/1100688096.db2.gz TZPRLGVBHABOJD-QGZVFWFLSA-N 0 1 357.251 4.276 20 30 FIEDMN Cc1cccc2nc(CCC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)[nH]c21 ZINC000426106918 1100856264 /nfs/dbraw/zinc/85/62/64/1100856264.db2.gz SWZHTNUCHLKMST-UHFFFAOYSA-N 0 1 374.488 4.360 20 30 FIEDMN Cn1cc(-c2ccc(CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)s2)cn1 ZINC000518404181 1101159864 /nfs/dbraw/zinc/15/98/64/1101159864.db2.gz QMKGMGWCXOIHRZ-VQTJNVASSA-N 0 1 362.502 4.420 20 30 FIEDMN N#Cc1ccsc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000518416104 1101181719 /nfs/dbraw/zinc/18/17/19/1101181719.db2.gz GNRXPFSUACSOAF-UHFFFAOYSA-N 0 1 373.909 4.011 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2cc3cccc(F)c3o2)c(C#N)c1C ZINC000475707860 1101395760 /nfs/dbraw/zinc/39/57/60/1101395760.db2.gz VOUIQCRFNYHSSN-NEPJUHHUSA-N 0 1 369.396 4.331 20 30 FIEDMN CC(C)(C)N1CC[C@H](Nc2cc(C#N)ncn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000518669197 1101402351 /nfs/dbraw/zinc/40/23/51/1101402351.db2.gz DYFLBIRIIZXIIY-FUHWJXTLSA-N 0 1 373.863 4.167 20 30 FIEDMN CC[C@H]1Cc2c(Br)cccc2CN1CCCSCC#N ZINC000518683653 1101420580 /nfs/dbraw/zinc/42/05/80/1101420580.db2.gz ZNAPLKRIEQSJLM-AWEZNQCLSA-N 0 1 353.329 4.233 20 30 FIEDMN Cc1oc(NC(=O)CN[C@@H](c2ccccc2F)C2CCCC2)c(C#N)c1C ZINC000537122797 1101467385 /nfs/dbraw/zinc/46/73/85/1101467385.db2.gz PMODIRQOEZUFQH-HXUWFJFHSA-N 0 1 369.440 4.367 20 30 FIEDMN CC[C@@H]1Oc2cc([C@H](C)NCC#Cc3cccc(Cl)c3)ccc2NC1=O ZINC000537154368 1101500051 /nfs/dbraw/zinc/50/00/51/1101500051.db2.gz IWLSBBKCCFLBQS-LIRRHRJNSA-N 0 1 368.864 4.152 20 30 FIEDMN C=CCN(Cc1ccccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518752939 1101507413 /nfs/dbraw/zinc/50/74/13/1101507413.db2.gz DVZJANMTXFIOLW-HNNXBMFYSA-N 0 1 353.857 4.065 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)[nH]c21 ZINC000439663107 1101639624 /nfs/dbraw/zinc/63/96/24/1101639624.db2.gz RNCGWGLSAARNFA-OAHLLOKOSA-N 0 1 362.389 4.393 20 30 FIEDMN C[C@@H](Cc1ccc(Cl)cc1)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001168160891 1101712473 /nfs/dbraw/zinc/71/24/73/1101712473.db2.gz ZTSVKXGREWUBQI-SFHVURJKSA-N 0 1 367.924 4.419 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@H]3CCC[C@@H]32)c1C#N ZINC000426476354 1101714965 /nfs/dbraw/zinc/71/49/65/1101714965.db2.gz RSSHSMIMRBAIEA-PXNSSMCTSA-N 0 1 368.525 4.295 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@H]3CCC[C@H]32)c1C#N ZINC000426476356 1101715227 /nfs/dbraw/zinc/71/52/27/1101715227.db2.gz RSSHSMIMRBAIEA-YLJYHZDGSA-N 0 1 368.525 4.295 20 30 FIEDMN N#CC(C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccncn1 ZINC000546152839 1101735383 /nfs/dbraw/zinc/73/53/83/1101735383.db2.gz JPKSOLXQJSKKCP-ZDUSSCGKSA-N 0 1 371.368 4.297 20 30 FIEDMN N#C[C@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccncn1 ZINC000546152839 1101735401 /nfs/dbraw/zinc/73/54/01/1101735401.db2.gz JPKSOLXQJSKKCP-ZDUSSCGKSA-N 0 1 371.368 4.297 20 30 FIEDMN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)Cc1ccsc1 ZINC000426484330 1101753625 /nfs/dbraw/zinc/75/36/25/1101753625.db2.gz GGIPMXPXQZIGOR-ZDUSSCGKSA-N 0 1 361.898 4.165 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(NCCc3ccccc3)cc2)cc1O ZINC000191018837 1101798427 /nfs/dbraw/zinc/79/84/27/1101798427.db2.gz XXPJHCNUVIOBAC-UHFFFAOYSA-N 0 1 357.413 4.171 20 30 FIEDMN N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1ccncn1 ZINC000760347604 1101931309 /nfs/dbraw/zinc/93/13/09/1101931309.db2.gz WTYVRVBGHWMILM-HNNXBMFYSA-N 0 1 372.453 4.346 20 30 FIEDMN CCc1ccccc1O[C@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760352360 1101935070 /nfs/dbraw/zinc/93/50/70/1101935070.db2.gz KVVSNILYFLJLRO-AVRDEDQJSA-N 0 1 357.413 4.036 20 30 FIEDMN N#CC(C(=O)C=Cc1cc(C(F)(F)F)ccc1Cl)c1ccncn1 ZINC000760353487 1101935178 /nfs/dbraw/zinc/93/51/78/1101935178.db2.gz PYKICWSWXRCMJI-YJEWXARHSA-N 0 1 351.715 4.038 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000127603471 1102090971 /nfs/dbraw/zinc/09/09/71/1102090971.db2.gz LGMUUMIRMHYZBR-ILXRZTDVSA-N 0 1 355.869 4.128 20 30 FIEDMN CCC(N=Nc1cc(F)ccc1Br)c1c(C)nn(C)c1C ZINC000841651885 1102135848 /nfs/dbraw/zinc/13/58/48/1102135848.db2.gz CCBHVNRIIIEALU-UHFFFAOYSA-N 0 1 353.239 4.165 20 30 FIEDMN N#Cc1cccc(Oc2ccc(NC(=O)c3cccc4cn[nH]c43)cc2)c1 ZINC000519511287 1102269086 /nfs/dbraw/zinc/26/90/86/1102269086.db2.gz OQKGSLXNQKAIKS-UHFFFAOYSA-N 0 1 354.369 4.479 20 30 FIEDMN Cc1nc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2[nH]1 ZINC000532440536 1102328523 /nfs/dbraw/zinc/32/85/23/1102328523.db2.gz IGWFUFQPDGULIG-UHFFFAOYSA-N 0 1 372.384 4.167 20 30 FIEDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714184 1102367800 /nfs/dbraw/zinc/36/78/00/1102367800.db2.gz DBTDRXIGLXEFCL-OAHLLOKOSA-N 0 1 351.406 4.071 20 30 FIEDMN COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1F ZINC000121780535 1102436723 /nfs/dbraw/zinc/43/67/23/1102436723.db2.gz NZYITMMRKROVLG-AWEZNQCLSA-N 0 1 352.390 4.448 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)ccc1F ZINC000121780535 1102436729 /nfs/dbraw/zinc/43/67/29/1102436729.db2.gz NZYITMMRKROVLG-AWEZNQCLSA-N 0 1 352.390 4.448 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1C1CCC1 ZINC000532559172 1102480326 /nfs/dbraw/zinc/48/03/26/1102480326.db2.gz NEFFYFULPNYYAI-QAPCUYQASA-N 0 1 357.523 4.284 20 30 FIEDMN C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc(C#N)c1 ZINC000473680327 1102514163 /nfs/dbraw/zinc/51/41/63/1102514163.db2.gz VKIPFPIDKONAHR-SJCJKPOMSA-N 0 1 374.271 4.321 20 30 FIEDMN CSc1nc(C2CC2)cc(C(=O)Nc2ccc(O)c(Cl)c2)c1C#N ZINC000111666549 1102698899 /nfs/dbraw/zinc/69/88/99/1102698899.db2.gz AKMXCIMYWHFWLT-UHFFFAOYSA-N 0 1 359.838 4.164 20 30 FIEDMN COc1ccc2nc(N(Cc3ccccc3)C[C@H](C#N)CCC#N)[nH]c2c1 ZINC000551232062 1103004095 /nfs/dbraw/zinc/00/40/95/1103004095.db2.gz XBJUJAVXAWYZQB-KRWDZBQOSA-N 0 1 359.433 4.022 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(C)cc2F)no1 ZINC001211975847 1103136307 /nfs/dbraw/zinc/13/63/07/1103136307.db2.gz RHSBBJRETXWNLA-QAPCUYQASA-N 0 1 361.461 4.262 20 30 FIEDMN C[C@H](NC(=O)CNC1(c2cccc(C#N)c2)CC1)c1ccc2ccccc2c1 ZINC000551411299 1103190890 /nfs/dbraw/zinc/19/08/90/1103190890.db2.gz DWHQDWQEQWDSQR-KRWDZBQOSA-N 0 1 369.468 4.168 20 30 FIEDMN COc1cc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)c(SC)cc1OC ZINC000152636833 1103249711 /nfs/dbraw/zinc/24/97/11/1103249711.db2.gz PIRXXGFYMHWHDG-CQSZACIVSA-N 0 1 356.491 4.490 20 30 FIEDMN COc1cc(CN(C)[C@H](C)c2ccc(C#N)cc2)c(SC)cc1OC ZINC000152636833 1103249719 /nfs/dbraw/zinc/24/97/19/1103249719.db2.gz PIRXXGFYMHWHDG-CQSZACIVSA-N 0 1 356.491 4.490 20 30 FIEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCc1cccc2ccccc21 ZINC000507323038 1103302491 /nfs/dbraw/zinc/30/24/91/1103302491.db2.gz YJCBFMVOOSMBBT-SFHVURJKSA-N 0 1 363.505 4.045 20 30 FIEDMN N#CC(C(=O)c1cnn(-c2ccccc2F)c1)c1nc2ccccc2s1 ZINC000138547098 1103414416 /nfs/dbraw/zinc/41/44/16/1103414416.db2.gz JABDNRKFFSAZDM-ZDUSSCGKSA-N 0 1 362.389 4.111 20 30 FIEDMN Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC(C)(C#N)CC1 ZINC000507715274 1103656944 /nfs/dbraw/zinc/65/69/44/1103656944.db2.gz BPFSAPPXFCSLID-UHFFFAOYSA-N 0 1 356.901 4.327 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(OC(F)(F)F)c3)[nH]c21 ZINC000477679607 1103791476 /nfs/dbraw/zinc/79/14/76/1103791476.db2.gz JNPJUXIMJBNJJF-ZDUSSCGKSA-N 0 1 359.307 4.260 20 30 FIEDMN C=CCC[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1ccc(C(F)(F)F)cc1 ZINC000538234197 1104065219 /nfs/dbraw/zinc/06/52/19/1104065219.db2.gz FQBZVXHTKFXAAB-CQSZACIVSA-N 0 1 368.359 4.144 20 30 FIEDMN Cc1cccc(S(=O)(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1Cl ZINC000538298361 1104119896 /nfs/dbraw/zinc/11/98/96/1104119896.db2.gz LHPQWTQMDLFAJL-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN CC(C)CN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(C#N)cc1 ZINC000520173214 1104143427 /nfs/dbraw/zinc/14/34/27/1104143427.db2.gz WAHGZCUUUIXYGQ-FGZHOGPDSA-N 0 1 367.537 4.197 20 30 FIEDMN CCCOc1ccc(CN(CCC)Cc2ccc(C#N)cn2)cc1OC ZINC000520423703 1104340845 /nfs/dbraw/zinc/34/08/45/1104340845.db2.gz HZKWQJOGZIXFFZ-UHFFFAOYSA-N 0 1 353.466 4.163 20 30 FIEDMN Cc1cscc1NC(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000328624960 1104522513 /nfs/dbraw/zinc/52/25/13/1104522513.db2.gz ZXXFJASCAVAAEH-JTQLQIEISA-N 0 1 358.389 4.224 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)NCc3c(C)oc4ccccc43)C2)n[nH]1 ZINC000328666631 1104529050 /nfs/dbraw/zinc/52/90/50/1104529050.db2.gz CRWYAZXHULFRQK-HNNXBMFYSA-N 0 1 352.438 4.066 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)NC1(c2ccc(F)cc2F)CCCC1 ZINC000328849081 1104578793 /nfs/dbraw/zinc/57/87/93/1104578793.db2.gz TZIRRQYYCSYVOE-MRXNPFEDSA-N 0 1 360.408 4.038 20 30 FIEDMN CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000328913234 1104600493 /nfs/dbraw/zinc/60/04/93/1104600493.db2.gz PJXNGCXPQGIERR-WFASDCNBSA-N 0 1 367.902 4.233 20 30 FIEDMN CN(CCc1cccc2ccccc21)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441539466 1104976140 /nfs/dbraw/zinc/97/61/40/1104976140.db2.gz IOFPDGCOLFEYOI-UHFFFAOYSA-N 0 1 368.440 4.436 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CNC(C)(C)c1ccccc1OC ZINC000507788280 1105050531 /nfs/dbraw/zinc/05/05/31/1105050531.db2.gz LMQQYUJREOEDOQ-UHFFFAOYSA-N 0 1 370.518 4.437 20 30 FIEDMN N#CC(C(=O)C1CCC(F)(F)CC1)c1nc2ccccc2n1C(F)F ZINC000178987569 1105056062 /nfs/dbraw/zinc/05/60/62/1105056062.db2.gz PIWRUGIYGXTSKN-NSHDSACASA-N 0 1 353.319 4.433 20 30 FIEDMN C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)c1cccc(C#N)c1 ZINC000614625681 1105056280 /nfs/dbraw/zinc/05/62/80/1105056280.db2.gz BJNDDSYNSZKHKF-JTQLQIEISA-N 0 1 356.838 4.154 20 30 FIEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1-c1ccnn1C ZINC000507879319 1105254511 /nfs/dbraw/zinc/25/45/11/1105254511.db2.gz RINZINJPRNDGGC-UHFFFAOYSA-N 0 1 362.433 4.184 20 30 FIEDMN CC(C)CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000444603850 1108012406 /nfs/dbraw/zinc/01/24/06/1108012406.db2.gz YBXGBZBDIIVZSY-UHFFFAOYSA-N 0 1 363.421 4.001 20 30 FIEDMN CCCOc1ccc(CNCc2ccc(C#N)s2)c(OC(F)F)c1 ZINC000152030388 1108141537 /nfs/dbraw/zinc/14/15/37/1108141537.db2.gz XUDBONYCRBFBRT-UHFFFAOYSA-N 0 1 352.406 4.300 20 30 FIEDMN C=CC[C@H]1N(Cc2nc(-c3ccc(OC)cc3OC)no2)CCCC1(C)C ZINC000444782530 1108157643 /nfs/dbraw/zinc/15/76/43/1108157643.db2.gz JCQIRXKMTLZYIF-GOSISDBHSA-N 0 1 371.481 4.321 20 30 FIEDMN CN(CCC#N)c1ccc(CN[C@H](c2ccccc2)c2cccnc2)cc1 ZINC000171440456 1108847732 /nfs/dbraw/zinc/84/77/32/1108847732.db2.gz XOMJIMAHJMTHFC-HSZRJFAPSA-N 0 1 356.473 4.311 20 30 FIEDMN C=CCN(Cc1n[nH]c(C(C)C)n1)Cc1cc(Br)ccc1F ZINC000428425134 1109054396 /nfs/dbraw/zinc/05/43/96/1109054396.db2.gz YTVWOWPQHPRXEC-UHFFFAOYSA-N 0 1 367.266 4.018 20 30 FIEDMN FC(F)(F)Oc1ccc(C#CCN2CCC[C@@H](c3nccs3)C2)cc1 ZINC000446840992 1109360961 /nfs/dbraw/zinc/36/09/61/1109360961.db2.gz KXYLHGOFNAUYMN-OAHLLOKOSA-N 0 1 366.408 4.273 20 30 FIEDMN COc1ccc([C@H](N[C@@H]2CCC[C@H](C#N)C2)c2ccccc2OC)cc1 ZINC000447576263 1109593213 /nfs/dbraw/zinc/59/32/13/1109593213.db2.gz XMCOCCJDCIUIGH-CECAUBDESA-N 0 1 350.462 4.465 20 30 FIEDMN C=CCCC1(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)CC1 ZINC000527003149 1109662172 /nfs/dbraw/zinc/66/21/72/1109662172.db2.gz WIZIXWNIZNZAQC-QGZVFWFLSA-N 0 1 356.514 4.305 20 30 FIEDMN C=CCCCNC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000448006916 1109698963 /nfs/dbraw/zinc/69/89/63/1109698963.db2.gz FRKUZCWQYPJEJF-UHFFFAOYSA-N 0 1 362.302 4.305 20 30 FIEDMN C=CCC1(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000449605467 1110126200 /nfs/dbraw/zinc/12/62/00/1110126200.db2.gz NJOADINVRDLIQG-SFHVURJKSA-N 0 1 354.454 4.144 20 30 FIEDMN Cc1cc(C)c2ncc(C#N)c(N3CCN(Cc4cccs4)CC3)c2c1 ZINC000461451215 1111230224 /nfs/dbraw/zinc/23/02/24/1111230224.db2.gz RGCLRSJAIONWOO-UHFFFAOYSA-N 0 1 362.502 4.107 20 30 FIEDMN C=CCCOCCCCC(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000539400778 1111550946 /nfs/dbraw/zinc/55/09/46/1111550946.db2.gz AQWUYVSNRUORMR-UHFFFAOYSA-N 0 1 366.259 4.027 20 30 FIEDMN COCc1ccccc1/C=C(/C)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000552235498 1111631331 /nfs/dbraw/zinc/63/13/31/1111631331.db2.gz JRUDGFINOSMWNV-CYVLTUHYSA-N 0 1 361.489 4.189 20 30 FIEDMN C[C@@H](NC(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CC1 ZINC000478237345 1111726888 /nfs/dbraw/zinc/72/68/88/1111726888.db2.gz YZAISKMBYXCFPI-DSJXUPEJSA-N 0 1 369.534 4.133 20 30 FIEDMN CC[C@H]1Oc2cc([C@H](C)NCC#Cc3ccc(Cl)cc3)ccc2NC1=O ZINC000553010254 1111881343 /nfs/dbraw/zinc/88/13/43/1111881343.db2.gz AQTLLMOSKQGFMV-IFXJQAMLSA-N 0 1 368.864 4.152 20 30 FIEDMN COc1ccc(Br)cc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000553314579 1111947056 /nfs/dbraw/zinc/94/70/56/1111947056.db2.gz PUEVAYNDBCSEQJ-SFHVURJKSA-N 0 1 371.278 4.497 20 30 FIEDMN N#CC1(NC(=O)CCC2CCCCC2)CCN(Cc2ccccc2)CC1 ZINC000479242354 1111972492 /nfs/dbraw/zinc/97/24/92/1111972492.db2.gz KPNMSMYMWBPDDD-UHFFFAOYSA-N 0 1 353.510 4.021 20 30 FIEDMN CC(C)C[C@H]1OCCC[C@H]1NCc1ccc(Br)cc1C#N ZINC000553918405 1112130565 /nfs/dbraw/zinc/13/05/65/1112130565.db2.gz HVUYRZMVMPWLAZ-IAGOWNOFSA-N 0 1 351.288 4.004 20 30 FIEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000554253120 1112263104 /nfs/dbraw/zinc/26/31/04/1112263104.db2.gz GQVXFOFCHKROKP-HXUWFJFHSA-N 0 1 361.917 4.099 20 30 FIEDMN Cc1nc2ccc(Cn3cc(C#N)c(=O)c4cc(C)cc(Cl)c43)cc2[nH]1 ZINC000554876407 1112541540 /nfs/dbraw/zinc/54/15/40/1112541540.db2.gz NCZGTRUQPIHNBF-UHFFFAOYSA-N 0 1 362.820 4.068 20 30 FIEDMN C[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[C@H]1c1ccccc1 ZINC000555146979 1112694079 /nfs/dbraw/zinc/69/40/79/1112694079.db2.gz HZMFQRBZLDWKMH-SIKLNZKXSA-N 0 1 361.489 4.059 20 30 FIEDMN N#CCC1CCN(Cc2c(Oc3ccc(F)cc3)nc3ccccn32)CC1 ZINC000600149775 1112909251 /nfs/dbraw/zinc/90/92/51/1112909251.db2.gz YVTDOBRBFFGUMP-UHFFFAOYSA-N 0 1 364.424 4.391 20 30 FIEDMN N#CCc1cccc2c1CCN(Cc1ccccc1OCc1ccccn1)C2 ZINC000600213894 1112926062 /nfs/dbraw/zinc/92/60/62/1112926062.db2.gz IPZOLSDXMDBZRK-UHFFFAOYSA-N 0 1 369.468 4.285 20 30 FIEDMN N#Cc1cccc(COc2cccc(NC(=O)c3ccc4cncn4c3)c2)c1 ZINC000555810408 1113001236 /nfs/dbraw/zinc/00/12/36/1113001236.db2.gz WHGKANMOTWODMJ-UHFFFAOYSA-N 0 1 368.396 4.037 20 30 FIEDMN N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3cncn3c2)cc1F ZINC000555849742 1113028700 /nfs/dbraw/zinc/02/87/00/1113028700.db2.gz SQOKOVVTILGWMR-UHFFFAOYSA-N 0 1 372.359 4.390 20 30 FIEDMN Cc1cccc2nc(CNC(=O)c3ccccc3-c3ccccc3C#N)[nH]c21 ZINC000160328751 1113350354 /nfs/dbraw/zinc/35/03/54/1113350354.db2.gz TZACYVMBVSCQTA-UHFFFAOYSA-N 0 1 366.424 4.340 20 30 FIEDMN COCCN(Cc1cc(C#N)n(C)c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000483144677 1113453636 /nfs/dbraw/zinc/45/36/36/1113453636.db2.gz CSJHTOXWDZYQKY-CQSZACIVSA-N 0 1 365.399 4.125 20 30 FIEDMN N#CC(C(=O)c1cccc(OCC(F)(F)F)n1)c1nccc2ccccc21 ZINC000483218952 1113467776 /nfs/dbraw/zinc/46/77/76/1113467776.db2.gz IRFGAQUOKLGGHL-CQSZACIVSA-N 0 1 371.318 4.061 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NC(=O)C1CCC(N2CCOCC2)CC1 ZINC000907679049 1113565680 /nfs/dbraw/zinc/56/56/80/1113565680.db2.gz ZYVCJLXFGHIFNJ-UHFFFAOYSA-N 0 1 370.537 4.368 20 30 FIEDMN COc1cc(C#N)ccc1OCCSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000488232922 1113882777 /nfs/dbraw/zinc/88/27/77/1113882777.db2.gz QADVMDCLPAHEMW-UHFFFAOYSA-N 0 1 365.458 4.437 20 30 FIEDMN C=CCn1c(SCc2n[nH]c(C)n2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000488253833 1113890837 /nfs/dbraw/zinc/89/08/37/1113890837.db2.gz MARDPVFQVVWRTH-UHFFFAOYSA-N 0 1 368.510 4.147 20 30 FIEDMN Cc1nc(C(C)(C)C)sc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000488258934 1113891489 /nfs/dbraw/zinc/89/14/89/1113891489.db2.gz SUISMVCDCIYVFX-GFCCVEGCSA-N 0 1 352.463 4.126 20 30 FIEDMN CCN(CCc1cccs1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000488294505 1113902455 /nfs/dbraw/zinc/90/24/55/1113902455.db2.gz MRQPWSZMBXUMPF-CYBMUJFWSA-N 0 1 373.547 4.062 20 30 FIEDMN COc1ccc(Cl)cc1C(C)N=Nc1nc2cc(F)c(F)cc2[nH]1 ZINC000912823181 1114215178 /nfs/dbraw/zinc/21/51/78/1114215178.db2.gz OJWXUJJAVVNXJK-UHFFFAOYSA-N 0 1 350.756 4.339 20 30 FIEDMN COc1ccc(Cl)cc1C(C)=NN=c1[nH]c2cc(F)c(F)cc2[nH]1 ZINC000912823181 1114215183 /nfs/dbraw/zinc/21/51/83/1114215183.db2.gz OJWXUJJAVVNXJK-UHFFFAOYSA-N 0 1 350.756 4.339 20 30 FIEDMN CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000067895421 1114271906 /nfs/dbraw/zinc/27/19/06/1114271906.db2.gz NQNFOHZNIUVSGH-LLVKDONJSA-N 0 1 369.229 4.117 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000067895421 1114271909 /nfs/dbraw/zinc/27/19/09/1114271909.db2.gz NQNFOHZNIUVSGH-LLVKDONJSA-N 0 1 369.229 4.117 20 30 FIEDMN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000490329358 1114273171 /nfs/dbraw/zinc/27/31/71/1114273171.db2.gz VOSISKDUYVJWND-CQSZACIVSA-N 0 1 354.400 4.492 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000913040827 1114284570 /nfs/dbraw/zinc/28/45/70/1114284570.db2.gz RERHTIFIASWUBX-QGZVFWFLSA-N 0 1 351.494 4.070 20 30 FIEDMN CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000055152068 1114421600 /nfs/dbraw/zinc/42/16/00/1114421600.db2.gz NWVGWLMNXFUGJW-CVEARBPZSA-N 0 1 351.450 4.023 20 30 FIEDMN CSc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000055576420 1114496285 /nfs/dbraw/zinc/49/62/85/1114496285.db2.gz LJTQPTMWSKWGCU-UHFFFAOYSA-N 0 1 372.393 4.100 20 30 FIEDMN N#Cc1cc(CN2CCCC[C@@H]2Cc2ccccc2Br)ccn1 ZINC000590209605 1114906594 /nfs/dbraw/zinc/90/65/94/1114906594.db2.gz ULRZBLDKMPXCAL-GOSISDBHSA-N 0 1 370.294 4.313 20 30 FIEDMN N#Cc1cc(CN2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ccn1 ZINC000590968272 1114997778 /nfs/dbraw/zinc/99/77/78/1114997778.db2.gz NJSQAKUFUANUNG-SFHVURJKSA-N 0 1 351.841 4.210 20 30 FIEDMN Cc1ccc(C=Cc2n[nH]c(SCc3cn4ccccc4c3C#N)n2)o1 ZINC000591373445 1115071009 /nfs/dbraw/zinc/07/10/09/1115071009.db2.gz BDLMFXVKUMQZMQ-FPLPWBNLSA-N 0 1 361.430 4.293 20 30 FIEDMN COc1ccc([C@H](NCc2ccc(C#N)c(OC)c2)c2ccccc2)cc1 ZINC000574086300 1115285841 /nfs/dbraw/zinc/28/58/41/1115285841.db2.gz NOXDVDLMWJXBQZ-HSZRJFAPSA-N 0 1 358.441 4.455 20 30 FIEDMN CC[C@@H](C(=O)Nc1ccc(Cl)cc1CC#N)N(C)Cc1ccccc1 ZINC000574219207 1115295610 /nfs/dbraw/zinc/29/56/10/1115295610.db2.gz JTZIVFLLVWLKAV-IBGZPJMESA-N 0 1 355.869 4.255 20 30 FIEDMN CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000249923766 1115318906 /nfs/dbraw/zinc/31/89/06/1115318906.db2.gz BKQWCFZDJMETBZ-RBUKOAKNSA-N 0 1 363.505 4.435 20 30 FIEDMN CCN(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000249923766 1115318909 /nfs/dbraw/zinc/31/89/09/1115318909.db2.gz BKQWCFZDJMETBZ-RBUKOAKNSA-N 0 1 363.505 4.435 20 30 FIEDMN Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000059008823 1115400137 /nfs/dbraw/zinc/40/01/37/1115400137.db2.gz QAIUTTFFNRTVIB-GFCCVEGCSA-N 0 1 374.448 4.367 20 30 FIEDMN COc1ccc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1NC(C)=O ZINC000594514603 1115457667 /nfs/dbraw/zinc/45/76/67/1115457667.db2.gz JHVNWRUEGULLKC-HNNXBMFYSA-N 0 1 363.461 4.255 20 30 FIEDMN CCOc1cc2c(cc1CNCc1ccc(C3(C#N)CC3)cc1)O[C@@H](C)C2 ZINC000594917857 1115489882 /nfs/dbraw/zinc/48/98/82/1115489882.db2.gz KWOGGNFKGZENRU-INIZCTEOSA-N 0 1 362.473 4.254 20 30 FIEDMN N#Cc1ccc(CN[C@@H]2CSCc3ccc(Br)cc32)s1 ZINC000594978045 1115500477 /nfs/dbraw/zinc/50/04/77/1115500477.db2.gz WDJZOIWXFCDAJA-OAHLLOKOSA-N 0 1 365.321 4.460 20 30 FIEDMN C[C@H](NCc1cccc(COC[C@@H]2CCCO2)c1)c1ccc(C#N)cc1F ZINC000595100856 1115516256 /nfs/dbraw/zinc/51/62/56/1115516256.db2.gz BINHJKOHNALPAR-JXFKEZNVSA-N 0 1 368.452 4.244 20 30 FIEDMN N#Cc1cc(Oc2ccc(NC(=O)c3cc(F)cc4[nH]cnc43)cc2)ccn1 ZINC000574968345 1115525948 /nfs/dbraw/zinc/52/59/48/1115525948.db2.gz GFKUNCWQYHNARV-UHFFFAOYSA-N 0 1 373.347 4.013 20 30 FIEDMN CC(C)[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1F ZINC000595688765 1115556991 /nfs/dbraw/zinc/55/69/91/1115556991.db2.gz AAVZWOZADCXPQI-NRFANRHFSA-N 0 1 353.441 4.059 20 30 FIEDMN N#CCSc1ccccc1NC(=O)CN1CCCC[C@H]1CC1CCC1 ZINC000595873214 1115567298 /nfs/dbraw/zinc/56/72/98/1115567298.db2.gz YTCGHZMIUNTBPN-KRWDZBQOSA-N 0 1 357.523 4.285 20 30 FIEDMN N#CCCCCN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000060332681 1115617358 /nfs/dbraw/zinc/61/73/58/1115617358.db2.gz BWDLHSTZJDEMCX-MRXNPFEDSA-N 0 1 354.281 4.480 20 30 FIEDMN Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC[C@@H](CC#N)C1 ZINC000597177602 1115646937 /nfs/dbraw/zinc/64/69/37/1115646937.db2.gz QDHIBOMBYVYLRO-HNNXBMFYSA-N 0 1 373.298 4.069 20 30 FIEDMN CC[C@@H](CC1CCCC1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593354508 1115666905 /nfs/dbraw/zinc/66/69/05/1115666905.db2.gz QDVQPAYERDPJNG-NRFANRHFSA-N 0 1 367.537 4.245 20 30 FIEDMN N#CC[C@H]1CCCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C1 ZINC000597906755 1115692354 /nfs/dbraw/zinc/69/23/54/1115692354.db2.gz YZZHICYDWGJVGJ-CYBMUJFWSA-N 0 1 350.447 4.057 20 30 FIEDMN CC[C@H](c1ccccc1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000060876439 1115724154 /nfs/dbraw/zinc/72/41/54/1115724154.db2.gz ZQVDAHZODBWACK-GOSISDBHSA-N 0 1 362.433 4.080 20 30 FIEDMN CC(C)[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598587677 1115738661 /nfs/dbraw/zinc/73/86/61/1115738661.db2.gz UZTISJIHMJMNDK-HNNXBMFYSA-N 0 1 371.294 4.099 20 30 FIEDMN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000598621025 1115740322 /nfs/dbraw/zinc/74/03/22/1115740322.db2.gz QWLCRDQPBPIMTF-RHSMWYFYSA-N 0 1 360.889 4.044 20 30 FIEDMN COc1ccc(CN2CC(Cc3ccsc3)C2)cc1OCCCC#N ZINC000598678456 1115744664 /nfs/dbraw/zinc/74/46/64/1115744664.db2.gz PFJIVLWHWKOQBX-UHFFFAOYSA-N 0 1 356.491 4.114 20 30 FIEDMN N#Cc1cccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000603645799 1115801276 /nfs/dbraw/zinc/80/12/76/1115801276.db2.gz DQMWJLMBSRZZGB-LJQANCHMSA-N 0 1 368.868 4.170 20 30 FIEDMN Cc1ccc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1C#N ZINC000599390216 1115813540 /nfs/dbraw/zinc/81/35/40/1115813540.db2.gz HWMVMNOXBLINBH-KRWDZBQOSA-N 0 1 368.786 4.362 20 30 FIEDMN N#Cc1cc2c(nc1NC[C@@H](c1ccccc1Cl)N1CCCC1)CCC2 ZINC000603838342 1115818402 /nfs/dbraw/zinc/81/84/02/1115818402.db2.gz HDYZSWHDYMUXPK-FQEVSTJZSA-N 0 1 366.896 4.344 20 30 FIEDMN CN(C)[C@@H](CNc1c(C#N)cnc2c(F)ccc(Cl)c21)c1ccsc1 ZINC000603847758 1115820825 /nfs/dbraw/zinc/82/08/25/1115820825.db2.gz QMFCPNRLQXSCGI-HNNXBMFYSA-N 0 1 374.872 4.097 20 30 FIEDMN CC(C)(NCCC(=O)Nc1cccc(C#N)c1)c1nc2ccccc2s1 ZINC000599533336 1115823740 /nfs/dbraw/zinc/82/37/40/1115823740.db2.gz LMWSIJMOQUOXJM-UHFFFAOYSA-N 0 1 364.474 4.021 20 30 FIEDMN COc1cc(Br)ccc1[C@H]1CCCN1CCCSCC#N ZINC000599572663 1115827140 /nfs/dbraw/zinc/82/71/40/1115827140.db2.gz DTHSFTGOGFHLLY-OAHLLOKOSA-N 0 1 369.328 4.241 20 30 FIEDMN CC(C)CN(CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc(C#N)cc1 ZINC000604494822 1115868223 /nfs/dbraw/zinc/86/82/23/1115868223.db2.gz MOQGLFPEYCJGNY-UHFFFAOYSA-N 0 1 373.859 4.447 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3csc(Br)c3)[nH]c21 ZINC000605363053 1115891159 /nfs/dbraw/zinc/89/11/59/1115891159.db2.gz FMYAUTVIYRAHLT-JTQLQIEISA-N 0 1 360.236 4.185 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(C(F)(F)F)nc3C)[nH]c21 ZINC000605363309 1115891321 /nfs/dbraw/zinc/89/13/21/1115891321.db2.gz UBILGWCAFWRSMQ-GFCCVEGCSA-N 0 1 358.323 4.084 20 30 FIEDMN Cc1ccnc([C@@H]2CCN(Cc3ccc(C#N)cc3Br)C2)c1 ZINC000594008488 1115958969 /nfs/dbraw/zinc/95/89/69/1115958969.db2.gz QMUQYERDFLWESV-MRXNPFEDSA-N 0 1 356.267 4.014 20 30 FIEDMN Cc1sc(NC(=O)CNC2(c3ccc(C#N)cc3)CCC2)c(C)c1C ZINC000594032589 1115967591 /nfs/dbraw/zinc/96/75/91/1115967591.db2.gz XSEFNQIGVQMQKO-UHFFFAOYSA-N 0 1 353.491 4.153 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000173411960 1116061607 /nfs/dbraw/zinc/06/16/07/1116061607.db2.gz SFOZFWNXDBCJPK-KBXCAEBGSA-N 0 1 369.421 4.135 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000173411975 1116061695 /nfs/dbraw/zinc/06/16/95/1116061695.db2.gz SFOZFWNXDBCJPK-KDOFPFPSSA-N 0 1 369.421 4.135 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000173900088 1116098283 /nfs/dbraw/zinc/09/82/83/1116098283.db2.gz DWNRPURGEHUUON-WLENULPWSA-N 0 1 355.441 4.044 20 30 FIEDMN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000173954041 1116101319 /nfs/dbraw/zinc/10/13/19/1116101319.db2.gz GXFKPVCCLIRTHK-LALPHHSUSA-N 0 1 366.433 4.475 20 30 FIEDMN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000173954017 1116101324 /nfs/dbraw/zinc/10/13/24/1116101324.db2.gz GXFKPVCCLIRTHK-TYNCELHUSA-N 0 1 366.433 4.475 20 30 FIEDMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)[nH]1 ZINC000594245012 1116122259 /nfs/dbraw/zinc/12/22/59/1116122259.db2.gz XHZFLKDEWZLPAB-HNNXBMFYSA-N 0 1 373.460 4.284 20 30 FIEDMN C[C@@H](CN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000608993052 1116141223 /nfs/dbraw/zinc/14/12/23/1116141223.db2.gz LARXVIAWMVHLOH-KRWDZBQOSA-N 0 1 369.896 4.322 20 30 FIEDMN Cc1c2cc(F)ccc2sc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000064102197 1116142119 /nfs/dbraw/zinc/14/21/19/1116142119.db2.gz KLMCPIYCRGHRSV-AWEZNQCLSA-N 0 1 368.437 4.157 20 30 FIEDMN COc1ccc(CN2CCC[C@@H]2c2ccccn2)cc1OCCCC#N ZINC000534331824 1116185789 /nfs/dbraw/zinc/18/57/89/1116185789.db2.gz OKLVNAGSCINVMH-LJQANCHMSA-N 0 1 351.450 4.110 20 30 FIEDMN CN(Cc1ccco1)Cc1ccccc1CNc1ncc(C#N)cc1Cl ZINC000462882282 1117837880 /nfs/dbraw/zinc/83/78/80/1117837880.db2.gz GAORFMCREMUGRE-UHFFFAOYSA-N 0 1 366.852 4.444 20 30 FIEDMN C=CCOCCCC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000463149712 1117992861 /nfs/dbraw/zinc/99/28/61/1117992861.db2.gz VCSGNNXAUBGAIK-UHFFFAOYSA-N 0 1 367.424 4.214 20 30 FIEDMN CC(C)(C)c1ccc(C(C)(C)NCC(=O)Nc2sccc2C#N)cc1 ZINC000540405010 1118035656 /nfs/dbraw/zinc/03/56/56/1118035656.db2.gz UDESGQUVBKXBBB-UHFFFAOYSA-N 0 1 355.507 4.381 20 30 FIEDMN C=CCOCCCC(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000463783532 1118328182 /nfs/dbraw/zinc/32/81/82/1118328182.db2.gz PXAXPSQNXJXBIH-UHFFFAOYSA-N 0 1 353.397 4.290 20 30 FIEDMN CCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1F ZINC000443454749 1118376693 /nfs/dbraw/zinc/37/66/93/1118376693.db2.gz LBOKMOOGEFASEI-UHFFFAOYSA-N 0 1 372.343 4.079 20 30 FIEDMN COc1coc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1=O ZINC000541085121 1118377413 /nfs/dbraw/zinc/37/74/13/1118377413.db2.gz QDAYYCHPDMSLMN-HNNXBMFYSA-N 0 1 360.413 4.038 20 30 FIEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000541248103 1118445957 /nfs/dbraw/zinc/44/59/57/1118445957.db2.gz QBEDKRBMQVNQGU-MRXNPFEDSA-N 0 1 365.399 4.304 20 30 FIEDMN CC1(C)COc2c1cccc2C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464421395 1118558927 /nfs/dbraw/zinc/55/89/27/1118558927.db2.gz STIAAIKIHVONMV-ZDUSSCGKSA-N 0 1 360.335 4.260 20 30 FIEDMN CC[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1c(C)nn(C)c1C ZINC000541598051 1118573960 /nfs/dbraw/zinc/57/39/60/1118573960.db2.gz WSNYWRFKUYLNRT-KRWDZBQOSA-N 0 1 365.399 4.028 20 30 FIEDMN CCN(CC)[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000464716191 1118662559 /nfs/dbraw/zinc/66/25/59/1118662559.db2.gz ZQWWKDCLTGNYAD-JKSUJKDBSA-N 0 1 369.431 4.143 20 30 FIEDMN N#CCC1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000541951916 1118718721 /nfs/dbraw/zinc/71/87/21/1118718721.db2.gz HYCBUXRCOSRICM-QFIPXVFZSA-N 0 1 353.510 4.050 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@@H]3CCC[C@@H]3C2)c1C#N ZINC000464881187 1118730811 /nfs/dbraw/zinc/73/08/11/1118730811.db2.gz AFHDOPBETITKDU-HDICACEKSA-N 0 1 368.525 4.152 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)n[nH]2)cc1 ZINC000464944003 1118767704 /nfs/dbraw/zinc/76/77/04/1118767704.db2.gz NMCULXIYHFOUDW-UGKGYDQZSA-N 0 1 370.456 4.297 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(SC3CC3)cc2)n1 ZINC000542130768 1118799623 /nfs/dbraw/zinc/79/96/23/1118799623.db2.gz PTJCKGQMXSWAQB-CQSZACIVSA-N 0 1 372.471 4.064 20 30 FIEDMN Cc1ccnc(N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000542280549 1118880325 /nfs/dbraw/zinc/88/03/25/1118880325.db2.gz QEXWVHCTAJVNPQ-MOPGFXCFSA-N 0 1 356.420 4.176 20 30 FIEDMN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000542408108 1118923327 /nfs/dbraw/zinc/92/33/27/1118923327.db2.gz KQBLMJDNLVUBSR-FUHWJXTLSA-N 0 1 373.545 4.486 20 30 FIEDMN CC[C@@H](C)NC(=O)c1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271933302 1119006680 /nfs/dbraw/zinc/00/66/80/1119006680.db2.gz MDIIHRYIJSKTLY-HUUCEWRRSA-N 0 1 353.441 4.076 20 30 FIEDMN CC(C)N(CCCSCC#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000174135933 1119095672 /nfs/dbraw/zinc/09/56/72/1119095672.db2.gz FAKHHRNFQCMAAL-UHFFFAOYSA-N 0 1 373.444 4.001 20 30 FIEDMN N#CC(C(=O)c1ccc2c(c1)COC2)c1nc2cc(Cl)ccc2s1 ZINC000492555368 1119131741 /nfs/dbraw/zinc/13/17/41/1119131741.db2.gz AWHOATYTSOJWCI-CQSZACIVSA-N 0 1 354.818 4.470 20 30 FIEDMN COc1cccc(CNCc2ccc(C#N)c(C)c2)c1OC1CCCC1 ZINC000443980068 1119158418 /nfs/dbraw/zinc/15/84/18/1119158418.db2.gz LZENXSDHEDIEFJ-UHFFFAOYSA-N 0 1 350.462 4.487 20 30 FIEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@H]1CCCCC1(C)C ZINC000152340430 1119213445 /nfs/dbraw/zinc/21/34/45/1119213445.db2.gz IQILRVHYVAMIAH-CVEARBPZSA-N 0 1 356.466 4.339 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)NC(=O)CCS3)n1 ZINC000177762352 1119349467 /nfs/dbraw/zinc/34/94/67/1119349467.db2.gz WQLVCVASJWVRDB-LBPRGKRZSA-N 0 1 371.487 4.191 20 30 FIEDMN CC[C@@H](C#N)Oc1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761527280 1119410123 /nfs/dbraw/zinc/41/01/23/1119410123.db2.gz RGPLUOJZVNFCNO-HNNXBMFYSA-N 0 1 359.813 4.219 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(N3CCC(C)CC3)nc2)n1 ZINC000183128632 1119566545 /nfs/dbraw/zinc/56/65/45/1119566545.db2.gz AJIHGFZNMJDPFV-MRXNPFEDSA-N 0 1 368.506 4.388 20 30 FIEDMN Cc1c2ccccc2oc1[C@@H](C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000183587144 1119577478 /nfs/dbraw/zinc/57/74/78/1119577478.db2.gz NPKUGQKTTFFNQY-QGZVFWFLSA-N 0 1 361.445 4.339 20 30 FIEDMN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185963255 1119697688 /nfs/dbraw/zinc/69/76/88/1119697688.db2.gz FTHYMIGXQUKZTM-JCKWVBRZSA-N 0 1 352.881 4.190 20 30 FIEDMN Cc1c(Br)scc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000186986959 1119759958 /nfs/dbraw/zinc/75/99/58/1119759958.db2.gz FRXRGHFDBDKNNV-SNVBAGLBSA-N 0 1 374.263 4.196 20 30 FIEDMN COc1ccc(CN(C)Cc2ccc(Br)c(F)c2)cc1C#N ZINC000494242957 1119796372 /nfs/dbraw/zinc/79/63/72/1119796372.db2.gz WRKHQIJHMQWQEP-UHFFFAOYSA-N 0 1 363.230 4.100 20 30 FIEDMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000494274556 1119810870 /nfs/dbraw/zinc/81/08/70/1119810870.db2.gz QYFHQOPVTSCXNU-AQTBWJFISA-N 0 1 356.473 4.494 20 30 FIEDMN Fc1ccc([C@H](CC(F)(F)F)NCCOCC(F)(F)C(F)F)cc1 ZINC000189834713 1119917554 /nfs/dbraw/zinc/91/75/54/1119917554.db2.gz FKNQCAJEOULOBL-NSHDSACASA-N 0 1 365.264 4.326 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000191568803 1119984588 /nfs/dbraw/zinc/98/45/88/1119984588.db2.gz CLZIZCKWWKNOHM-UHFFFAOYSA-N 0 1 373.474 4.111 20 30 FIEDMN CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)Cc1ccsc1 ZINC000495229659 1120548557 /nfs/dbraw/zinc/54/85/57/1120548557.db2.gz CEFOIBJAJLDODS-CQSZACIVSA-N 0 1 352.463 4.123 20 30 FIEDMN CC(C)CN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC(C)(C)C ZINC000761972956 1120612394 /nfs/dbraw/zinc/61/23/94/1120612394.db2.gz GJNDMHDULRBCGN-HNNXBMFYSA-N 0 1 357.523 4.477 20 30 FIEDMN CC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(Cl)s1 ZINC000542555200 1120734460 /nfs/dbraw/zinc/73/44/60/1120734460.db2.gz ATVFOKLOZCKFIT-ZDUSSCGKSA-N 0 1 353.919 4.127 20 30 FIEDMN Fc1ccc(Br)cc1C=NNc1ncccc1C(F)(F)F ZINC000915050418 1120757855 /nfs/dbraw/zinc/75/78/55/1120757855.db2.gz OVFKXNGNEIBHDG-UHFFFAOYSA-N 0 1 362.124 4.448 20 30 FIEDMN CC(=Cc1ccc(-c2ccccc2F)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193608649 1120981322 /nfs/dbraw/zinc/98/13/22/1120981322.db2.gz CPPHTALUFAHDKT-PKNBQFBNSA-N 0 1 351.406 4.378 20 30 FIEDMN COc1ccc(-c2nc(SC/C(Cl)=C\Cl)[nH]c(=O)c2C#N)cc1 ZINC000763172113 1121213090 /nfs/dbraw/zinc/21/30/90/1121213090.db2.gz VIVHTEYCOJCGRC-UXBLZVDNSA-N 0 1 368.245 4.141 20 30 FIEDMN Fc1cc(CN=Nc2c(Cl)cccc2Cl)ccc1-n1cncn1 ZINC000763188749 1121241466 /nfs/dbraw/zinc/24/14/66/1121241466.db2.gz VYIVTFBMKUZKGZ-UHFFFAOYSA-N 0 1 350.184 4.159 20 30 FIEDMN COc1cccc(C=NNc2ccc(C(F)(F)F)cn2)c1OC(C)C ZINC000915917790 1121347938 /nfs/dbraw/zinc/34/79/38/1121347938.db2.gz OMXMAIAHWUJFEJ-UHFFFAOYSA-N 0 1 353.344 4.342 20 30 FIEDMN CC(=NNc1ccc(C(F)(F)F)cn1)c1cc(Br)ccc1O ZINC000915919004 1121349685 /nfs/dbraw/zinc/34/96/85/1121349685.db2.gz UYPJBTGATISIHG-UHFFFAOYSA-N 0 1 374.160 4.405 20 30 FIEDMN Fc1ccc(F)c(CN=Nc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000915953755 1121352312 /nfs/dbraw/zinc/35/23/12/1121352312.db2.gz AJECLBLSARMVSS-UHFFFAOYSA-N 0 1 352.266 4.373 20 30 FIEDMN Cc1sc2ncnc(NN=Cc3c(Cl)n(C)nc3C(C)C)c2c1C ZINC000915942604 1121356650 /nfs/dbraw/zinc/35/66/50/1121356650.db2.gz ODJRKVIBTFIICM-UHFFFAOYSA-N 0 1 362.890 4.264 20 30 FIEDMN Cc1nn(Cc2ccc(C)cc2)c(C)c1C=NNc1nc2ccccc2n1C ZINC000915967781 1121357108 /nfs/dbraw/zinc/35/71/08/1121357108.db2.gz ORELFBREFNFWMS-UHFFFAOYSA-N 0 1 372.476 4.189 20 30 FIEDMN Cc1cc(NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)nc(C)n1 ZINC000915967516 1121357147 /nfs/dbraw/zinc/35/71/47/1121357147.db2.gz FNDOHBWBULHHFD-UHFFFAOYSA-N 0 1 353.407 4.176 20 30 FIEDMN Clc1ccccc1-c1ccc(C=NNc2ccc(-n3cccn3)nn2)o1 ZINC000915972489 1121358631 /nfs/dbraw/zinc/35/86/31/1121358631.db2.gz LFCHDOQFVANOAA-UHFFFAOYSA-N 0 1 364.796 4.022 20 30 FIEDMN O=C(Nc1cccc(C=NNc2ccccn2)c1)c1ccc(Cl)cc1 ZINC000916276332 1121462172 /nfs/dbraw/zinc/46/21/72/1121462172.db2.gz XNCITFUFRBMHNB-UHFFFAOYSA-N 0 1 350.809 4.433 20 30 FIEDMN Cc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000916285749 1121462692 /nfs/dbraw/zinc/46/26/92/1121462692.db2.gz FMDPGJAGNPLSTR-UHFFFAOYSA-N 0 1 368.271 4.276 20 30 FIEDMN O=C1c2cc(C(F)(F)F)cnc2CC/C1=C/c1cc(F)c(O)c(F)c1 ZINC000154084713 1121557919 /nfs/dbraw/zinc/55/79/19/1121557919.db2.gz NSFJHKURLUYPLX-OQFOIZHKSA-N 0 1 355.262 4.297 20 30 FIEDMN C=CCC(CC=C)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123886270 1121641934 /nfs/dbraw/zinc/64/19/34/1121641934.db2.gz HKPZCXCFPPNPEX-APWZRJJASA-N 0 1 364.892 4.357 20 30 FIEDMN CCCCCNC(=O)C(C#N)C(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000916878359 1121907488 /nfs/dbraw/zinc/90/74/88/1121907488.db2.gz SHGFWXQWFYDJMB-KRWDZBQOSA-N 0 1 360.523 4.091 20 30 FIEDMN N#CC(C(=O)CSc1ccc2ccccc2c1)C(=O)NC1CCCCC1 ZINC000916893573 1121912550 /nfs/dbraw/zinc/91/25/50/1121912550.db2.gz DGGGSCJGHKQEMC-LJQANCHMSA-N 0 1 366.486 4.090 20 30 FIEDMN CCCCC1CCC(C(=O)C(C#N)C(=O)Nc2ccccc2OC)CC1 ZINC000916931385 1121935120 /nfs/dbraw/zinc/93/51/20/1121935120.db2.gz RMNUIVSGXJKDBY-OFLPRAFFSA-N 0 1 356.466 4.339 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(C)=O)s2)cc1 ZINC000916956378 1121968305 /nfs/dbraw/zinc/96/83/05/1121968305.db2.gz ZUZKTFONRZXNIT-WBMJQRKESA-N 0 1 368.458 4.425 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2noc3c2CCCC3)cc1 ZINC000916951176 1121973682 /nfs/dbraw/zinc/97/36/82/1121973682.db2.gz XOTUASWCLBUKHN-DYVFJYSZSA-N 0 1 365.433 4.028 20 30 FIEDMN N#Cc1ccc(OCC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000917045916 1122014296 /nfs/dbraw/zinc/01/42/96/1122014296.db2.gz CORCQNXCAKNIES-CQSZACIVSA-N 0 1 367.817 4.077 20 30 FIEDMN CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)c1 ZINC000066814118 1122098709 /nfs/dbraw/zinc/09/87/09/1122098709.db2.gz WUDZAVJNMWGFCP-CYBMUJFWSA-N 0 1 374.487 4.084 20 30 FIEDMN C=C(C)CN(CC)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000016338897 1122122434 /nfs/dbraw/zinc/12/24/34/1122122434.db2.gz STIWGEAOQBQEMF-NRFANRHFSA-N 0 1 356.897 4.444 20 30 FIEDMN N#CCCCN1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000067401516 1122156259 /nfs/dbraw/zinc/15/62/59/1122156259.db2.gz CRHIDMJRPCRDSD-UHFFFAOYSA-N 0 1 352.413 4.132 20 30 FIEDMN N#CC(C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc2ccccc2o1 ZINC000054736843 1122195298 /nfs/dbraw/zinc/19/52/98/1122195298.db2.gz SFJRWYALEDBFIN-HNNXBMFYSA-N 0 1 371.352 4.163 20 30 FIEDMN CCN(CC)[C@H](C(=O)N(C)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000497397057 1122215911 /nfs/dbraw/zinc/21/59/11/1122215911.db2.gz LFYUNVNOLMBXOE-INIZCTEOSA-N 0 1 369.431 4.096 20 30 FIEDMN Fc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cc1-c1cccs1 ZINC000917534747 1122351590 /nfs/dbraw/zinc/35/15/90/1122351590.db2.gz OEEAGVHPQHIXJK-UHFFFAOYSA-N 0 1 372.372 4.335 20 30 FIEDMN COc1cccc(O)c1/C=N/C[C@H](c1ccccc1OC)N1CCCCC1 ZINC000917557264 1122361648 /nfs/dbraw/zinc/36/16/48/1122361648.db2.gz CTRWZOPVWIKCAU-SYVPYPDPSA-N 0 1 368.477 4.056 20 30 FIEDMN N#Cc1ccc(CC(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1 ZINC000609263015 1122368435 /nfs/dbraw/zinc/36/84/35/1122368435.db2.gz AEQJZKQHRDMCEJ-UHFFFAOYSA-N 0 1 370.387 4.422 20 30 FIEDMN COc1cc(/C=C\C(=O)c2ccc3ccccc3c2O)cc(OC)c1OC ZINC000033414288 1122474729 /nfs/dbraw/zinc/47/47/29/1122474729.db2.gz RWLQOFFOVBKUNG-FLIBITNWSA-N 0 1 364.397 4.467 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC000498063332 1122548464 /nfs/dbraw/zinc/54/84/64/1122548464.db2.gz UYMRGTHDVBNRPB-NSHDSACASA-N 0 1 364.352 4.042 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000154708506 1122619046 /nfs/dbraw/zinc/61/90/46/1122619046.db2.gz FEYJDYIPDGVDSX-KRWDZBQOSA-N 0 1 362.429 4.478 20 30 FIEDMN CC1(C#N)CCC(Nc2ccc(NC(=O)CN3CCCCCC3)cc2)CC1 ZINC000556137985 1122688624 /nfs/dbraw/zinc/68/86/24/1122688624.db2.gz BIQKJGAYFFGAKD-UHFFFAOYSA-N 0 1 368.525 4.385 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)NCc2ccc(C#N)cc2)c1 ZINC000194809079 1122879153 /nfs/dbraw/zinc/87/91/53/1122879153.db2.gz PIORIKYPVUZFKI-UHFFFAOYSA-N 0 1 369.468 4.120 20 30 FIEDMN COc1ccc(C[C@@H](NC[C@H](C#N)CCC#N)c2ccc(OC)cc2)cc1 ZINC000556706410 1123048332 /nfs/dbraw/zinc/04/83/32/1123048332.db2.gz UYHYCOXEQIXDQM-PGRDOPGGSA-N 0 1 363.461 4.021 20 30 FIEDMN CCOCCOc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000499192848 1123313573 /nfs/dbraw/zinc/31/35/73/1123313573.db2.gz SRBDRZDYCNQGQN-OAHLLOKOSA-N 0 1 366.442 4.202 20 30 FIEDMN CCOCCOc1ccccc1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000499192848 1123313577 /nfs/dbraw/zinc/31/35/77/1123313577.db2.gz SRBDRZDYCNQGQN-OAHLLOKOSA-N 0 1 366.442 4.202 20 30 FIEDMN Clc1cncc(N=NC2CCSc3ccc(Br)cc32)n1 ZINC000920376186 1123449028 /nfs/dbraw/zinc/44/90/28/1123449028.db2.gz UVYVSPOJEGXCPV-UHFFFAOYSA-N 0 1 369.675 4.205 20 30 FIEDMN C[C@@H]1CCCC[C@H]1CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000920791781 1123520162 /nfs/dbraw/zinc/52/01/62/1123520162.db2.gz GUZWXBBVVPIZFP-MBNYWOFBSA-N 0 1 350.821 4.343 20 30 FIEDMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000609382329 1123697602 /nfs/dbraw/zinc/69/76/02/1123697602.db2.gz BHBUCXXLHLPARQ-CYBMUJFWSA-N 0 1 350.447 4.375 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](c3ccco3)C2)c1 ZINC000609540167 1123747517 /nfs/dbraw/zinc/74/75/17/1123747517.db2.gz RUFKATULSVDFRJ-RBUKOAKNSA-N 0 1 365.477 4.021 20 30 FIEDMN CCN(C[C@H](C)C#N)C(=O)[C@@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC000609620079 1123770781 /nfs/dbraw/zinc/77/07/81/1123770781.db2.gz QCJMJXNPFFMORR-RHSMWYFYSA-N 0 1 369.431 4.096 20 30 FIEDMN C=CCCCN(C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000136467778 1123897383 /nfs/dbraw/zinc/89/73/83/1123897383.db2.gz JVSGJSLVGSFWIK-YJBOKZPZSA-N 0 1 367.896 4.080 20 30 FIEDMN Cc1ccc([C@H]2[C@@H](C)CCCN2CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000610004217 1123914918 /nfs/dbraw/zinc/91/49/18/1123914918.db2.gz FLFAQHRDOKCVQD-GHTZIAJQSA-N 0 1 353.510 4.111 20 30 FIEDMN COc1ccccc1-c1n[nH]c(NC(=O)[C@@H]2SCCc3ccccc32)n1 ZINC000079702439 1123917282 /nfs/dbraw/zinc/91/72/82/1123917282.db2.gz XFRYOWWFFQBIJV-MRXNPFEDSA-N 0 1 366.446 4.099 20 30 FIEDMN N#CC(C(=O)[C@H]1CCOc2ccccc21)c1nc2ccccc2n1C(F)F ZINC000170849168 1123940285 /nfs/dbraw/zinc/94/02/85/1123940285.db2.gz VFBOOTSCAOECMI-UONOGXRCSA-N 0 1 367.355 4.174 20 30 FIEDMN CC(C)NC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1 ZINC000080459651 1123966746 /nfs/dbraw/zinc/96/67/46/1123966746.db2.gz MYXCXFFWWZMTET-OAHLLOKOSA-N 0 1 370.478 4.286 20 30 FIEDMN CC(C)NC(=O)Nc1cccc(C(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080459651 1123966749 /nfs/dbraw/zinc/96/67/49/1123966749.db2.gz MYXCXFFWWZMTET-OAHLLOKOSA-N 0 1 370.478 4.286 20 30 FIEDMN CC1=NN(c2ccc(C(=O)C(C#N)c3nc(C(C)C)cs3)cc2)CC1 ZINC000080459724 1123966863 /nfs/dbraw/zinc/96/68/63/1123966863.db2.gz UUIFXDZWUTVTML-MRXNPFEDSA-N 0 1 352.463 4.343 20 30 FIEDMN CC(C)CCN(CCC#N)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000137674405 1123980379 /nfs/dbraw/zinc/98/03/79/1123980379.db2.gz WZMLQRZEHCNIQJ-UHFFFAOYSA-N 0 1 355.404 4.296 20 30 FIEDMN CCN(CC(=O)NC1(C#N)CCCCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000138394573 1124183971 /nfs/dbraw/zinc/18/39/71/1124183971.db2.gz ZZKTVSFCLUVNTC-INIZCTEOSA-N 0 1 353.466 4.158 20 30 FIEDMN C=CCOc1ccccc1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000138611245 1124271256 /nfs/dbraw/zinc/27/12/56/1124271256.db2.gz BNDNNJJHGCLGEY-UHFFFAOYSA-N 0 1 368.502 4.053 20 30 FIEDMN COc1ccc([C@@H](CNc2cc(C#N)ccc2C(C)=O)N2CCCC2)cc1 ZINC000302099682 1124284156 /nfs/dbraw/zinc/28/41/56/1124284156.db2.gz KXQPKKFMJITQPB-JOCHJYFZSA-N 0 1 363.461 4.018 20 30 FIEDMN CCc1nnc(N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c(C#N)c1CC ZINC000302114200 1124285334 /nfs/dbraw/zinc/28/53/34/1124285334.db2.gz BWNJRMNOJHGRKM-OAHLLOKOSA-N 0 1 374.492 4.042 20 30 FIEDMN COc1ccc2[nH]cc(CN=Nc3ccc4ccccc4n3)c2c1[N+](=O)[O-] ZINC000785450475 1124362099 /nfs/dbraw/zinc/36/20/99/1124362099.db2.gz GISRUDGXQRZLJO-UHFFFAOYSA-N 0 1 361.361 4.079 20 30 FIEDMN Cc1cccc2nc(CCC(=O)Nc3ccc(OC(C)C)c(C#N)c3)[nH]c21 ZINC000153796052 1124462447 /nfs/dbraw/zinc/46/24/47/1124462447.db2.gz TVVIFOKCWQLWNC-UHFFFAOYSA-N 0 1 362.433 4.102 20 30 FIEDMN COc1ccc(C(NCc2cccc(C#N)c2)c2ccc(OC)cc2)cc1 ZINC000069062792 1124480092 /nfs/dbraw/zinc/48/00/92/1124480092.db2.gz VVRRMOFCRUXJFX-UHFFFAOYSA-N 0 1 358.441 4.455 20 30 FIEDMN C[C@@H](NCC(=O)N1CC[C@H](C)Sc2ccccc21)c1ccc(C#N)cc1 ZINC000554841030 1124529976 /nfs/dbraw/zinc/52/99/76/1124529976.db2.gz MUYKQSFAYBUYBU-JKSUJKDBSA-N 0 1 365.502 4.126 20 30 FIEDMN N#CCCCCN1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000060366478 1124556670 /nfs/dbraw/zinc/55/66/70/1124556670.db2.gz PRPDWJZGVGBWNE-UHFFFAOYSA-N 0 1 357.498 4.366 20 30 FIEDMN N#Cc1ccccc1COc1cccc(CNCc2cnn3ccccc23)c1 ZINC000512852794 1124596948 /nfs/dbraw/zinc/59/69/48/1124596948.db2.gz YATXDMNMVVQPPL-UHFFFAOYSA-N 0 1 368.440 4.075 20 30 FIEDMN CCCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](C)c1cc2ccccc2o1 ZINC000249748873 1124878752 /nfs/dbraw/zinc/87/87/52/1124878752.db2.gz PAVICOFVKLIYDD-VFNWGFHPSA-N 0 1 353.466 4.014 20 30 FIEDMN CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665094 1125012506 /nfs/dbraw/zinc/01/25/06/1125012506.db2.gz OWLLHCHCBMUHDY-JXFKEZNVSA-N 0 1 371.506 4.144 20 30 FIEDMN COc1ccc(C#N)cc1CN[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181574795 1125030632 /nfs/dbraw/zinc/03/06/32/1125030632.db2.gz VTNWXMLCJRVLPP-AWEZNQCLSA-N 0 1 354.425 4.346 20 30 FIEDMN C=CCN1CC[C@@H](N(CC)[C@@H](c2ccccc2)c2ccc(F)cc2)C1=O ZINC000499528029 1125046412 /nfs/dbraw/zinc/04/64/12/1125046412.db2.gz BOFHFZHXFAXRLD-RTWAWAEBSA-N 0 1 352.453 4.024 20 30 FIEDMN C=CCC1(NC(=O)c2cccc3nc(-c4cccs4)[nH]c32)CCOCC1 ZINC000618249456 1125125329 /nfs/dbraw/zinc/12/53/29/1125125329.db2.gz UTFGRLKBONZGIU-UHFFFAOYSA-N 0 1 367.474 4.147 20 30 FIEDMN N#C[C@H]1CCC[C@@H](NCc2cc(Br)ccc2Br)C1 ZINC000618578505 1125208972 /nfs/dbraw/zinc/20/89/72/1125208972.db2.gz AZOACGFSQXSYBD-GXFFZTMASA-N 0 1 372.104 4.384 20 30 FIEDMN C=CCN(CC1CCCCC1)C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000069973697 1125224763 /nfs/dbraw/zinc/22/47/63/1125224763.db2.gz LKCRDMVDPAURKX-UHFFFAOYSA-N 0 1 357.479 4.206 20 30 FIEDMN N#Cc1ccc(CNCc2ccc(Cl)c(Br)c2)c(F)c1 ZINC000182191983 1125274893 /nfs/dbraw/zinc/27/48/93/1125274893.db2.gz YJBMRJZYHNPISE-UHFFFAOYSA-N 0 1 353.622 4.403 20 30 FIEDMN N#Cc1cccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022795912 211366466 /nfs/dbraw/zinc/36/64/66/211366466.db2.gz MXUMBNNRWQXDML-UHFFFAOYSA-N 0 1 367.496 4.465 20 30 FIEDMN N#Cc1cccc(C2(NCc3ccc(OCc4ccccc4F)nc3)CC2)c1 ZINC000568089662 567864058 /nfs/dbraw/zinc/86/40/58/567864058.db2.gz IZBYRJHGKKEIFF-UHFFFAOYSA-N 0 1 373.431 4.450 20 30 FIEDMN Cc1ncc([C@H](C)N[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000601937323 567880816 /nfs/dbraw/zinc/88/08/16/567880816.db2.gz WPWWGXUBYWULOU-JKSUJKDBSA-N 0 1 370.522 4.054 20 30 FIEDMN N#Cc1cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)ccc1Cl ZINC000541808715 567883894 /nfs/dbraw/zinc/88/38/94/567883894.db2.gz RIYLZGQRQLJZPB-UHFFFAOYSA-N 0 1 373.803 4.402 20 30 FIEDMN CCOc1ccc([C@@H](NCc2ccc(C#N)cn2)C(C)C)cc1OCC ZINC000568648529 568106974 /nfs/dbraw/zinc/10/69/74/568106974.db2.gz BTZWYCDUVTYVBU-NRFANRHFSA-N 0 1 353.466 4.238 20 30 FIEDMN CCOc1ccc([C@H](NCc2ccc(C#N)cn2)C(C)C)cc1OCC ZINC000568648530 568107020 /nfs/dbraw/zinc/10/70/20/568107020.db2.gz BTZWYCDUVTYVBU-OAQYLSRUSA-N 0 1 353.466 4.238 20 30 FIEDMN COc1cc(OC)c(CN[C@@H]2CCCCc3cc(C#N)ccc32)c(OC)c1 ZINC000481914093 568182141 /nfs/dbraw/zinc/18/21/41/568182141.db2.gz JSBOEGSMXJHPRK-HXUWFJFHSA-N 0 1 366.461 4.141 20 30 FIEDMN COC(=O)c1ccccc1-c1ccc(CN(C)Cc2ccc(C#N)cc2)o1 ZINC000481917214 568183016 /nfs/dbraw/zinc/18/30/16/568183016.db2.gz AMXRZLRQGGIPNC-UHFFFAOYSA-N 0 1 360.413 4.237 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)o1 ZINC000604266255 568237843 /nfs/dbraw/zinc/23/78/43/568237843.db2.gz GVRZXOOLLZBSCJ-UHFFFAOYSA-N 0 1 355.438 4.056 20 30 FIEDMN COc1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1OCCCC#N ZINC000604512430 568306549 /nfs/dbraw/zinc/30/65/49/568306549.db2.gz MSPFDSRTLIDSGD-QAPCUYQASA-N 0 1 354.450 4.384 20 30 FIEDMN C=CCN(CC1CCCCC1)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000604662641 568342012 /nfs/dbraw/zinc/34/20/12/568342012.db2.gz DIOPSTXWTJPJJG-UHFFFAOYSA-N 0 1 361.505 4.165 20 30 FIEDMN N#Cc1cc(Br)ccc1CNC1(c2ccccc2)CCOCC1 ZINC000569371534 568396716 /nfs/dbraw/zinc/39/67/16/568396716.db2.gz AEGIDZVEARUORE-UHFFFAOYSA-N 0 1 371.278 4.116 20 30 FIEDMN CCSc1ccc(Cl)cc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619462677 1125596257 /nfs/dbraw/zinc/59/62/57/1125596257.db2.gz AOWVDZSLVSUOJF-UHFFFAOYSA-N 0 1 366.895 4.319 20 30 FIEDMN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cn2cc(Cl)ccc2n1 ZINC000619508228 1125603240 /nfs/dbraw/zinc/60/32/40/1125603240.db2.gz WUGWEMRLGLDBRM-IBGZPJMESA-N 0 1 350.853 4.417 20 30 FIEDMN COc1cc(NC(C)=O)ccc1[C@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000619755826 1125682242 /nfs/dbraw/zinc/68/22/42/1125682242.db2.gz VEHQWJOTOHLGIC-LBPRGKRZSA-N 0 1 357.841 4.029 20 30 FIEDMN COc1ccc(OC(F)F)c(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748490 1125689994 /nfs/dbraw/zinc/68/99/94/1125689994.db2.gz GPULCZNBZPIUAJ-UHFFFAOYSA-N 0 1 352.768 4.111 20 30 FIEDMN COc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1OC(F)F ZINC000619748298 1125690159 /nfs/dbraw/zinc/69/01/59/1125690159.db2.gz GZKJNWBBSNOHKI-UHFFFAOYSA-N 0 1 352.768 4.111 20 30 FIEDMN COc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1Br ZINC000619748617 1125690351 /nfs/dbraw/zinc/69/03/51/1125690351.db2.gz JYLPBFJVGPKGKF-UHFFFAOYSA-N 0 1 365.658 4.273 20 30 FIEDMN COc1cccc(OCC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000120062358 1079526546 /nfs/dbraw/zinc/52/65/46/1079526546.db2.gz OHRAHQLZIBTORI-CQSZACIVSA-N 0 1 372.833 4.214 20 30 FIEDMN Cc1c2cc(F)ccc2oc1S(=O)(=O)Nc1cc(C#N)ccc1Cl ZINC000471107160 1079571317 /nfs/dbraw/zinc/57/13/17/1079571317.db2.gz GASZRUPNUSSCPW-UHFFFAOYSA-N 0 1 364.785 4.206 20 30 FIEDMN Cc1cccc(CN(CCOc2cccc(C#N)c2)Cc2ccccn2)c1 ZINC000471177537 1080117286 /nfs/dbraw/zinc/11/72/86/1080117286.db2.gz QERMRXWNWQWNAH-UHFFFAOYSA-N 0 1 357.457 4.343 20 30 FIEDMN C=CCc1cc(CN2CCC(C(=O)c3ccccc3)CC2)cc(OC)c1O ZINC000179878541 1080335521 /nfs/dbraw/zinc/33/55/21/1080335521.db2.gz ZFUUZBDUOITXPE-UHFFFAOYSA-N 0 1 365.473 4.224 20 30 FIEDMN Cc1ccccc1CN(C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001167227301 1080872854 /nfs/dbraw/zinc/87/28/54/1080872854.db2.gz JXCIOPZHDBFPFJ-QFIPXVFZSA-N 0 1 359.473 4.027 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cnn(C(C)C)c2-c2ccccc2)n1 ZINC000579905881 1080943577 /nfs/dbraw/zinc/94/35/77/1080943577.db2.gz QVJVJYURZNDIKG-OAHLLOKOSA-N 0 1 350.447 4.386 20 30 FIEDMN Cc1cccc2c1ncc(C#N)c2NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000610273502 1081007747 /nfs/dbraw/zinc/00/77/47/1081007747.db2.gz JHNROVPOSZPXFZ-UHFFFAOYSA-N 0 1 374.463 4.052 20 30 FIEDMN CN1CCC[C@H]1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001648862921 1081325417 /nfs/dbraw/zinc/32/54/17/1081325417.db2.gz VOAHDODKRSQRAP-NSHDSACASA-N 0 1 372.284 4.009 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000579992232 1081377911 /nfs/dbraw/zinc/37/79/11/1081377911.db2.gz ZCTXXVOBDRZHNW-IAGOWNOFSA-N 0 1 369.534 4.065 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000610346632 1081506314 /nfs/dbraw/zinc/50/63/14/1081506314.db2.gz ZMGTVWKQCMPSRX-OLZOCXBDSA-N 0 1 361.367 4.255 20 30 FIEDMN COc1ccc(Oc2cc(CNCc3cc(C#N)cs3)ccn2)cc1 ZINC000177686825 1081531397 /nfs/dbraw/zinc/53/13/97/1081531397.db2.gz KELVQTYEQDDBGX-UHFFFAOYSA-N 0 1 351.431 4.105 20 30 FIEDMN N#Cc1csc(CNCc2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000177691306 1081533823 /nfs/dbraw/zinc/53/38/23/1081533823.db2.gz LGLHWVXSCYHWQC-UHFFFAOYSA-N 0 1 353.491 4.428 20 30 FIEDMN Cc1ccc2c(C)cc(=NN=Cc3c(Br)cnn3C)[nH]c2c1C ZINC000782171031 1081620234 /nfs/dbraw/zinc/62/02/34/1081620234.db2.gz ONZPDRBTTCAZAV-UHFFFAOYSA-N 0 1 372.270 4.102 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2cccnc2)s1)c1ccc(C(F)(F)F)cn1 ZINC000535642173 1081959465 /nfs/dbraw/zinc/95/94/65/1081959465.db2.gz WVNNSZHQRUJJIB-LBPRGKRZSA-N 0 1 374.347 4.109 20 30 FIEDMN N#C[C@H](C(=O)c1cnc(-c2cccnc2)s1)c1ccc(C(F)(F)F)cn1 ZINC000535642173 1081959468 /nfs/dbraw/zinc/95/94/68/1081959468.db2.gz WVNNSZHQRUJJIB-LBPRGKRZSA-N 0 1 374.347 4.109 20 30 FIEDMN C[C@H](C(=O)NC1CC1)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000328768019 1082405089 /nfs/dbraw/zinc/40/50/89/1082405089.db2.gz BNWZPXQHBJWCRE-HZPDHXFCSA-N 0 1 374.529 4.269 20 30 FIEDMN C=CCN(C(=O)[C@H](c1cccc(C(F)(F)F)c1)N(CC)CC)C1CC1 ZINC001266693800 1082436989 /nfs/dbraw/zinc/43/69/89/1082436989.db2.gz MDXBLBYGJPICGQ-KRWDZBQOSA-N 0 1 354.416 4.265 20 30 FIEDMN N#CCOc1ccc(Cl)cc1CN1CC[C@H](COc2ccccc2)C1 ZINC000780370324 1082457112 /nfs/dbraw/zinc/45/71/12/1082457112.db2.gz WRNUYIJUZOTSNW-INIZCTEOSA-N 0 1 356.853 4.143 20 30 FIEDMN N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780370332 1082460919 /nfs/dbraw/zinc/46/09/19/1082460919.db2.gz WRNUYIJUZOTSNW-MRXNPFEDSA-N 0 1 356.853 4.143 20 30 FIEDMN N#CCOc1ccc(Cl)cc1CN1CC[C@@H](COc2ccccc2)C1 ZINC000780370332 1082460921 /nfs/dbraw/zinc/46/09/21/1082460921.db2.gz WRNUYIJUZOTSNW-MRXNPFEDSA-N 0 1 356.853 4.143 20 30 FIEDMN C[C@H]1CCN(c2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)ccn2)C1 ZINC000430600355 1082566850 /nfs/dbraw/zinc/56/68/50/1082566850.db2.gz XIMSOYHTLJTQPA-DZGCQCFKSA-N 0 1 368.506 4.172 20 30 FIEDMN C=CCOc1cc(OC)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000155681180 1082866648 /nfs/dbraw/zinc/86/66/48/1082866648.db2.gz PZJQPMIHNDWGPS-OAHLLOKOSA-N 0 1 364.426 4.360 20 30 FIEDMN C=CCOc1cc(OC)ccc1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000155681180 1082866652 /nfs/dbraw/zinc/86/66/52/1082866652.db2.gz PZJQPMIHNDWGPS-OAHLLOKOSA-N 0 1 364.426 4.360 20 30 FIEDMN CCC(CC)n1ncc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000156228361 1082904165 /nfs/dbraw/zinc/90/41/65/1082904165.db2.gz HXXJHFJJSLYJNN-AWEZNQCLSA-N 0 1 364.371 4.457 20 30 FIEDMN CCC(CC)n1ncc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000156228361 1082904168 /nfs/dbraw/zinc/90/41/68/1082904168.db2.gz HXXJHFJJSLYJNN-AWEZNQCLSA-N 0 1 364.371 4.457 20 30 FIEDMN Cc1ccc(C=Cc2n[nH]c(SCCCOc3cccc(C#N)c3)n2)o1 ZINC000477581056 1082914286 /nfs/dbraw/zinc/91/42/86/1082914286.db2.gz RYCQRYBCXLTDJU-CMDGGOBGSA-N 0 1 366.446 4.309 20 30 FIEDMN N#Cc1cccc(OC2CCN(Cc3cccc(OC(F)F)c3)CC2)c1 ZINC000510476333 1082970752 /nfs/dbraw/zinc/97/07/52/1082970752.db2.gz XKORINZVAMNIPH-UHFFFAOYSA-N 0 1 358.388 4.203 20 30 FIEDMN CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000328923816 1083133071 /nfs/dbraw/zinc/13/30/71/1083133071.db2.gz VBYZEUQNLSHYMX-RYUDHWBXSA-N 0 1 372.296 4.127 20 30 FIEDMN CC1(c2ccccc2)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000510788109 1083314892 /nfs/dbraw/zinc/31/48/92/1083314892.db2.gz TWTDMQFZHOVHJW-UHFFFAOYSA-N 0 1 358.445 4.162 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000610717118 1083353454 /nfs/dbraw/zinc/35/34/54/1083353454.db2.gz UNPRCOOGULHCTC-RTBURBONSA-N 0 1 374.488 4.161 20 30 FIEDMN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377240 1083361200 /nfs/dbraw/zinc/36/12/00/1083361200.db2.gz ZEALBZGYGFRRIB-XFBWCDHKSA-N 0 1 365.458 4.105 20 30 FIEDMN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377240 1083361206 /nfs/dbraw/zinc/36/12/06/1083361206.db2.gz ZEALBZGYGFRRIB-XFBWCDHKSA-N 0 1 365.458 4.105 20 30 FIEDMN N#C[C@@H](C(=O)c1ccc(OC2CCCC2)nc1)c1nc(C2CC2)cs1 ZINC000647379059 1083369311 /nfs/dbraw/zinc/36/93/11/1083369311.db2.gz ZGWIPBSOBUGKAZ-HNNXBMFYSA-N 0 1 353.447 4.227 20 30 FIEDMN N#CC(C(=O)c1ccc(OC2CCCC2)nc1)c1nc(C2CC2)cs1 ZINC000647379059 1083369315 /nfs/dbraw/zinc/36/93/15/1083369315.db2.gz ZGWIPBSOBUGKAZ-HNNXBMFYSA-N 0 1 353.447 4.227 20 30 FIEDMN C=CCOc1ccccc1CN1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000092673871 1083466583 /nfs/dbraw/zinc/46/65/83/1083466583.db2.gz MBVWHJGJKQTZHN-UHFFFAOYSA-N 0 1 370.518 4.016 20 30 FIEDMN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1OC(F)F ZINC000179714164 1083608341 /nfs/dbraw/zinc/60/83/41/1083608341.db2.gz KTVMBMPTTSVXFN-CJNGLKHVSA-N 0 1 373.403 4.228 20 30 FIEDMN CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cc(C#N)ccc3O)c21 ZINC000179738373 1083613434 /nfs/dbraw/zinc/61/34/34/1083613434.db2.gz GJWRLNNNSLQIAX-UHFFFAOYSA-N 0 1 362.389 4.053 20 30 FIEDMN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000892484407 1083708129 /nfs/dbraw/zinc/70/81/29/1083708129.db2.gz IYXZUKBMTJOUPQ-CQDKDKBSSA-N 0 1 364.417 4.085 20 30 FIEDMN O=C1OCCN1c1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 ZINC000255867202 1083824729 /nfs/dbraw/zinc/82/47/29/1083824729.db2.gz XHWJRHRVQFGTMD-UHFFFAOYSA-N 0 1 351.189 4.406 20 30 FIEDMN CC(C)(CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)CC(F)F ZINC000892498267 1083829469 /nfs/dbraw/zinc/82/94/69/1083829469.db2.gz HBQOLXPSCKRSTH-SNVBAGLBSA-N 0 1 360.763 4.198 20 30 FIEDMN C[C@@H](NCC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000548936634 1083861543 /nfs/dbraw/zinc/86/15/43/1083861543.db2.gz IXKPXIYUQVRYSW-MRXNPFEDSA-N 0 1 367.468 4.175 20 30 FIEDMN CCCOc1ccc(CN(CCC)Cc2ccnc(C#N)c2)cc1OC ZINC000610991185 1083933038 /nfs/dbraw/zinc/93/30/38/1083933038.db2.gz AVYZDMHTYZXUTN-UHFFFAOYSA-N 0 1 353.466 4.163 20 30 FIEDMN C[C@@H](c1cccc(C#N)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187700743 1084038335 /nfs/dbraw/zinc/03/83/35/1084038335.db2.gz ONNUMRQJEXSXFW-HNNXBMFYSA-N 0 1 351.406 4.071 20 30 FIEDMN COc1ccc(C(C)=NNc2ccc(Br)cc2F)c(OC)c1 ZINC000728432792 1084084356 /nfs/dbraw/zinc/08/43/56/1084084356.db2.gz BIHLZQAPRRHQPU-UHFFFAOYSA-N 0 1 367.218 4.442 20 30 FIEDMN COC(=O)c1ccc(-c2ccc(/C=C\C(=O)c3ccc(O)c(F)c3)o2)cc1 ZINC000728439200 1084162549 /nfs/dbraw/zinc/16/25/49/1084162549.db2.gz XEOVAKHTNIEFEG-YFHOEESVSA-N 0 1 366.344 4.474 20 30 FIEDMN COc1cc(CNCc2ccc(OCCC(C)C)c(OC)c2)ccc1C#N ZINC000580134718 1084370648 /nfs/dbraw/zinc/37/06/48/1084370648.db2.gz PUTLJHDGGOKLFZ-UHFFFAOYSA-N 0 1 368.477 4.290 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1C(F)(F)F ZINC000066391212 1084430239 /nfs/dbraw/zinc/43/02/39/1084430239.db2.gz GYAMUGHQCCIJKF-KGLIPLIRSA-N 0 1 367.415 4.087 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2CCSCC2)cc1 ZINC000134977013 1084686237 /nfs/dbraw/zinc/68/62/37/1084686237.db2.gz SINAVVNZWCFJQP-KBXCAEBGSA-N 0 1 358.507 4.381 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000613446535 1084743635 /nfs/dbraw/zinc/74/36/35/1084743635.db2.gz KGEDOEADRRZMDH-LJQANCHMSA-N 0 1 370.537 4.242 20 30 FIEDMN CC(C)CCN(CCC#N)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167559121 1084811826 /nfs/dbraw/zinc/81/18/26/1084811826.db2.gz XTCAWKWLAPEJGX-SFHVURJKSA-N 0 1 351.535 4.285 20 30 FIEDMN Cc1c(NC(=O)c2ccc(C#N)c(O)c2)cccc1C(=O)Nc1ccccc1 ZINC000187749475 1085065067 /nfs/dbraw/zinc/06/50/67/1085065067.db2.gz DGQOOAAUCNHOSQ-UHFFFAOYSA-N 0 1 371.396 4.077 20 30 FIEDMN C#CCOc1ccccc1CNCc1cccc(NC(=O)C2CCCC2)c1 ZINC000048781296 1085069105 /nfs/dbraw/zinc/06/91/05/1085069105.db2.gz HOSJCQZMAJRXEH-UHFFFAOYSA-N 0 1 362.473 4.117 20 30 FIEDMN N#CCCn1cc(CNCc2ccc3c(n2)CCCC3)c(-c2ccccc2)n1 ZINC000277699972 1085151517 /nfs/dbraw/zinc/15/15/17/1085151517.db2.gz LKNHYLXDSFBBHW-UHFFFAOYSA-N 0 1 371.488 4.027 20 30 FIEDMN COc1cc(CNCc2cc(Cl)ccc2OC(F)F)ccc1C#N ZINC000562083492 1085217532 /nfs/dbraw/zinc/21/75/32/1085217532.db2.gz XHACEYIBZSJQEX-UHFFFAOYSA-N 0 1 352.768 4.111 20 30 FIEDMN N#CC(C(=O)C=Cc1ccncn1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000588539178 1085387222 /nfs/dbraw/zinc/38/72/22/1085387222.db2.gz NPJODRIHMBACPF-YVACAVLKSA-N 0 1 366.833 4.143 20 30 FIEDMN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000661116169 1085399443 /nfs/dbraw/zinc/39/94/43/1085399443.db2.gz WHYYMYYGLWDLRN-RDJZCZTQSA-N 0 1 370.522 4.323 20 30 FIEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C1CCC(F)(F)CC1 ZINC000136601768 1085575955 /nfs/dbraw/zinc/57/59/55/1085575955.db2.gz CYLUDCUKAIOJFC-INIZCTEOSA-N 0 1 362.420 4.284 20 30 FIEDMN Cc1cccc(C(=O)C(C#N)c2ccccn2)c1NC(=O)c1ccccc1F ZINC000125482667 1085616498 /nfs/dbraw/zinc/61/64/98/1085616498.db2.gz SEXRXMXPQNEVCT-QGZVFWFLSA-N 0 1 373.387 4.272 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nnc(-c2ccccc2Br)o1 ZINC000662077594 1086099985 /nfs/dbraw/zinc/09/99/85/1086099985.db2.gz CRHKJNDWOKLKGO-BETUJISGSA-N 0 1 360.255 4.182 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000218872496 1086358608 /nfs/dbraw/zinc/35/86/08/1086358608.db2.gz QEYRARDXEKDVEJ-HZPDHXFCSA-N 0 1 358.482 4.295 20 30 FIEDMN C=CCOc1ccccc1CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000583231140 1086442941 /nfs/dbraw/zinc/44/29/41/1086442941.db2.gz IXYUVBSXBKXYOJ-UHFFFAOYSA-N 0 1 366.436 4.306 20 30 FIEDMN C=C[C@H](CC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1 ZINC000583395503 1086646441 /nfs/dbraw/zinc/64/64/41/1086646441.db2.gz YQXHISDPDGBDGD-CYBMUJFWSA-N 0 1 352.825 4.424 20 30 FIEDMN C[C@H](NC(=O)CN1CCC(CCC#N)CC1)c1ccc(Cl)cc1Cl ZINC000583438687 1086683048 /nfs/dbraw/zinc/68/30/48/1086683048.db2.gz YUAMZVMNFHSBRO-ZDUSSCGKSA-N 0 1 368.308 4.186 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245440785 1086781679 /nfs/dbraw/zinc/78/16/79/1086781679.db2.gz GSTBQHQEEUPKSM-JFIYKMOQSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000245440785 1086781683 /nfs/dbraw/zinc/78/16/83/1086781683.db2.gz GSTBQHQEEUPKSM-JFIYKMOQSA-N 0 1 357.523 4.141 20 30 FIEDMN Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)c(OC[C@@H]2CCOC2)c1 ZINC000583782011 1086960244 /nfs/dbraw/zinc/96/02/44/1086960244.db2.gz NUXUOQQBFRWHHD-XMSQKQJNSA-N 0 1 362.473 4.059 20 30 FIEDMN COc1ccccc1-c1n[nH]c(NC(=O)CSc2ccc(C)cc2)n1 ZINC000052778610 1087152245 /nfs/dbraw/zinc/15/22/45/1087152245.db2.gz BWXFCWSZELFEMJ-UHFFFAOYSA-N 0 1 354.435 4.169 20 30 FIEDMN C=CCC[C@@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccco1 ZINC000584176249 1087205693 /nfs/dbraw/zinc/20/56/93/1087205693.db2.gz ANCWKUDBWMHWOP-OAQYLSRUSA-N 0 1 366.505 4.358 20 30 FIEDMN C=CCC[C@@H](NC(=O)CCc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000502016871 1087451275 /nfs/dbraw/zinc/45/12/75/1087451275.db2.gz LHZSLHZTUWYJTG-MRXNPFEDSA-N 0 1 351.372 4.185 20 30 FIEDMN N#CC(C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc(C2CC2)cs1 ZINC000647376818 1087798523 /nfs/dbraw/zinc/79/85/23/1087798523.db2.gz ZVWIODPIFNTRNC-SJORKVTESA-N 0 1 368.458 4.068 20 30 FIEDMN N#Cc1cccc(OCCN[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180578962 1087966825 /nfs/dbraw/zinc/96/68/25/1087966825.db2.gz FWTQGLSNYTXLAW-QGZVFWFLSA-N 0 1 352.331 4.359 20 30 FIEDMN CCCCCc1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)n[nH]1 ZINC000659050034 1087975780 /nfs/dbraw/zinc/97/57/80/1087975780.db2.gz FRGORAHYMUXIKJ-ZDUSSCGKSA-N 0 1 371.391 4.377 20 30 FIEDMN C=CCCc1ccccc1NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000505011143 1088049438 /nfs/dbraw/zinc/04/94/38/1088049438.db2.gz QTFYREJHZNXXCO-UHFFFAOYSA-N 0 1 355.457 4.328 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3[nH]c(=O)n(C(C)C)c3c2)n1 ZINC000659114189 1088116592 /nfs/dbraw/zinc/11/65/92/1088116592.db2.gz LIOFKXGSGMPTOQ-CYBMUJFWSA-N 0 1 368.462 4.393 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3[nH]c(=O)n(C4CC4)c3c2)n1 ZINC000659115244 1088124356 /nfs/dbraw/zinc/12/43/56/1088124356.db2.gz ULHPHJFBWVWCRV-ZDUSSCGKSA-N 0 1 366.446 4.147 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2-c2nc(C(C)C)no2)n1 ZINC000505345438 1088357281 /nfs/dbraw/zinc/35/72/81/1088357281.db2.gz UGPMCKSBDIGAGT-AWEZNQCLSA-N 0 1 352.419 4.115 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccccc2C(C)(C)C)n1 ZINC000434427536 1088595374 /nfs/dbraw/zinc/59/53/74/1088595374.db2.gz BZUSQFWXBTULBF-ZDUSSCGKSA-N 0 1 356.447 4.107 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@@H](c2ccc(F)cc2)C(C)C)c(C#N)c1C ZINC000434621752 1088845425 /nfs/dbraw/zinc/84/54/25/1088845425.db2.gz WUAKRTNDXOOPOJ-LJQANCHMSA-N 0 1 357.429 4.175 20 30 FIEDMN Cc1ccc([C@@]2(C)CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)cc1 ZINC000434741235 1089011742 /nfs/dbraw/zinc/01/17/42/1089011742.db2.gz CQRRIHXVPAQMQW-QFIPXVFZSA-N 0 1 358.445 4.080 20 30 FIEDMN C=CCC[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1ccccc1 ZINC000434990904 1089191146 /nfs/dbraw/zinc/19/11/46/1089191146.db2.gz JYBGBACYVGJDQS-RBUKOAKNSA-N 0 1 357.523 4.358 20 30 FIEDMN C=CCC[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000434992997 1089192789 /nfs/dbraw/zinc/19/27/89/1089192789.db2.gz YLQZQUXPAUUDAU-UXHICEINSA-N 0 1 367.493 4.423 20 30 FIEDMN C=CCOc1ccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)cc1Cl ZINC000182095058 1090048495 /nfs/dbraw/zinc/04/84/95/1090048495.db2.gz ROZPBYZOYCFEAY-MHECFPHRSA-N 0 1 363.910 4.114 20 30 FIEDMN CC[C@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000783077487 1090117393 /nfs/dbraw/zinc/11/73/93/1090117393.db2.gz RSKFQKSFDUEZCM-YDHLFZDLSA-N 0 1 362.857 4.212 20 30 FIEDMN N#Cc1ccsc1NC(=O)CCN1CCC(=Cc2cccc(F)c2)CC1 ZINC000566413206 1090641853 /nfs/dbraw/zinc/64/18/53/1090641853.db2.gz CKWINGWNLFHRMF-UHFFFAOYSA-N 0 1 369.465 4.267 20 30 FIEDMN COc1cc([C@H](C)NCc2ccc(C#N)cn2)ccc1OC1CCCC1 ZINC000584787307 1090889738 /nfs/dbraw/zinc/88/97/38/1090889738.db2.gz BOEHEIJXYYVUMH-HNNXBMFYSA-N 0 1 351.450 4.134 20 30 FIEDMN Cn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000728776780 1090930182 /nfs/dbraw/zinc/93/01/82/1090930182.db2.gz USEURSWVQWRSDL-UHFFFAOYSA-N 0 1 361.361 4.188 20 30 FIEDMN CCOc1c(CN[C@@H]2CCCc3cc(C#N)ccc32)c(C)nn1CC(C)C ZINC000418144224 1091078141 /nfs/dbraw/zinc/07/81/41/1091078141.db2.gz KDXFTPZOVLBFRU-OAQYLSRUSA-N 0 1 366.509 4.285 20 30 FIEDMN Cn1c(CN[C@H]2CCCc3cc(C#N)ccc32)nc2ccc(Cl)cc21 ZINC000418145200 1091079966 /nfs/dbraw/zinc/07/99/66/1091079966.db2.gz MKPHWRMOKOCNSA-KRWDZBQOSA-N 0 1 350.853 4.266 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cccc3ccsc32)n1 ZINC000467834890 1091794792 /nfs/dbraw/zinc/79/47/92/1091794792.db2.gz NUMSJLMKTIJKMG-LBPRGKRZSA-N 0 1 356.428 4.025 20 30 FIEDMN Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)c(OC[C@H]2CCCO2)c1 ZINC000572083247 1091846433 /nfs/dbraw/zinc/84/64/33/1091846433.db2.gz ICKYDUSKVXSQGI-IRLDBZIGSA-N 0 1 362.473 4.202 20 30 FIEDMN CCOc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000521107729 1092505766 /nfs/dbraw/zinc/50/57/66/1092505766.db2.gz DBLVLGYCRRGUIK-UONOGXRCSA-N 0 1 371.868 4.288 20 30 FIEDMN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(Br)cn1 ZINC000279952547 1092657352 /nfs/dbraw/zinc/65/73/52/1092657352.db2.gz ZPBXDYUQEVPEJM-AWEZNQCLSA-N 0 1 373.298 4.045 20 30 FIEDMN Cc1ccc2c(CN3CCC(Oc4ccc(C#N)cc4)CC3)cc(=O)oc2c1 ZINC000728929828 1092716938 /nfs/dbraw/zinc/71/69/38/1092716938.db2.gz ZKFNXGOIUCJGMH-UHFFFAOYSA-N 0 1 374.440 4.017 20 30 FIEDMN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1c[nH]c2ccccc12 ZINC000442881197 1092833583 /nfs/dbraw/zinc/83/35/83/1092833583.db2.gz HETKYPKLOBHMBR-UHFFFAOYSA-N 0 1 366.852 4.154 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc1O ZINC000442939472 1092875581 /nfs/dbraw/zinc/87/55/81/1092875581.db2.gz CVXWNUKOLMSFCJ-UHFFFAOYSA-N 0 1 365.776 4.357 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1O ZINC000443057572 1092930268 /nfs/dbraw/zinc/93/02/68/1092930268.db2.gz HBFHBCYYAPVZGJ-UHFFFAOYSA-N 0 1 355.806 4.293 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000022253546 1093038418 /nfs/dbraw/zinc/03/84/18/1093038418.db2.gz WLFLPJPXFBLOHL-MRXNPFEDSA-N 0 1 357.523 4.214 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000512658922 1093096476 /nfs/dbraw/zinc/09/64/76/1093096476.db2.gz AZPMXIUMYPRTQW-ZIAGYGMSSA-N 0 1 366.440 4.393 20 30 FIEDMN C[C@H]1C[C@H]1c1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)o1 ZINC000522197635 1093201465 /nfs/dbraw/zinc/20/14/65/1093201465.db2.gz RGRDDVHACBUQHO-OXJNMPFZSA-N 0 1 360.461 4.470 20 30 FIEDMN CCCN(CCC)C(=O)c1ccc(Nc2cc(C#N)c(F)cc2O)cc1 ZINC001211769790 1093269212 /nfs/dbraw/zinc/26/92/12/1093269212.db2.gz JBSAUUYVNWYMEL-UHFFFAOYSA-N 0 1 355.413 4.409 20 30 FIEDMN COC(=O)c1ccccc1-c1ccc(CN[C@H](C)c2cccc(C#N)c2)o1 ZINC000614242796 1093283428 /nfs/dbraw/zinc/28/34/28/1093283428.db2.gz OCZLLMRQTFPCRK-OAHLLOKOSA-N 0 1 360.413 4.456 20 30 FIEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000114674171 1093669920 /nfs/dbraw/zinc/66/99/20/1093669920.db2.gz OYMQYSVLHGWHEP-CQSZACIVSA-N 0 1 371.487 4.062 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000439448835 1093709699 /nfs/dbraw/zinc/70/96/99/1093709699.db2.gz UJOLVUDFOAQJHJ-CYBMUJFWSA-N 0 1 353.853 4.411 20 30 FIEDMN C[C@@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccccc1C#N ZINC000025215921 1093764362 /nfs/dbraw/zinc/76/43/62/1093764362.db2.gz HHLBRKKJJNIMCJ-SJKOYZFVSA-N 0 1 371.893 4.365 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000614385924 1093800444 /nfs/dbraw/zinc/80/04/44/1093800444.db2.gz LFAYIRCPXSUHAT-LLVKDONJSA-N 0 1 369.412 4.263 20 30 FIEDMN N#CC(C(=O)Cc1ccccc1Br)c1ccc2ccccc2n1 ZINC000729185435 1093941257 /nfs/dbraw/zinc/94/12/57/1093941257.db2.gz VPZNHMYCVICJQS-HNNXBMFYSA-N 0 1 365.230 4.416 20 30 FIEDMN COCCOCc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000576551802 1093949010 /nfs/dbraw/zinc/94/90/10/1093949010.db2.gz OMYNWFQFDQWXSF-GOTSBHOMSA-N 0 1 364.489 4.121 20 30 FIEDMN N#CCOc1ccc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000729241141 1093949777 /nfs/dbraw/zinc/94/97/77/1093949777.db2.gz NGRRJJJKXMSFHO-UHFFFAOYSA-N 0 1 356.838 4.320 20 30 FIEDMN C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000467292233 1094328030 /nfs/dbraw/zinc/32/80/30/1094328030.db2.gz RZYLUQADBOHALP-INIZCTEOSA-N 0 1 355.507 4.209 20 30 FIEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000467292233 1094328043 /nfs/dbraw/zinc/32/80/43/1094328043.db2.gz RZYLUQADBOHALP-INIZCTEOSA-N 0 1 355.507 4.209 20 30 FIEDMN COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1OC(C)C ZINC000041546057 1094648698 /nfs/dbraw/zinc/64/86/98/1094648698.db2.gz KYPUUJMCSOIXDF-CQSZACIVSA-N 0 1 350.374 4.114 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc3ccccc3o2)ccc1OC(C)C ZINC000041546057 1094648711 /nfs/dbraw/zinc/64/87/11/1094648711.db2.gz KYPUUJMCSOIXDF-CQSZACIVSA-N 0 1 350.374 4.114 20 30 FIEDMN CC1=CCN(CCNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC000329088785 1094734482 /nfs/dbraw/zinc/73/44/82/1094734482.db2.gz IDJDRFHITXJBIE-UHFFFAOYSA-N 0 1 361.530 4.300 20 30 FIEDMN C=CCS(=O)(=O)CCN[C@@H](CCC)c1ccc(Cl)cc1Cl ZINC000783537463 1094738171 /nfs/dbraw/zinc/73/81/71/1094738171.db2.gz UHUWSYHTZLHIHQ-HNNXBMFYSA-N 0 1 350.311 4.025 20 30 FIEDMN CCc1ccccc1NC(=O)CNC(=O)CN1CC[C@@H](C)C2(CCC2)C1 ZINC000329152647 1094758707 /nfs/dbraw/zinc/75/87/07/1094758707.db2.gz TWEXNLOZFHABCD-MRXNPFEDSA-N 0 1 357.498 4.306 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)n1 ZINC000182557812 1094788121 /nfs/dbraw/zinc/78/81/21/1094788121.db2.gz ZNDYNYNMIYIIGC-ZDUSSCGKSA-N 0 1 366.446 4.479 20 30 FIEDMN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000329340741 1094849684 /nfs/dbraw/zinc/84/96/84/1094849684.db2.gz OMSIFIQBDBGDKD-DZOHQFGASA-N 0 1 371.529 4.134 20 30 FIEDMN Cc1cscc1NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000329429943 1094900598 /nfs/dbraw/zinc/90/05/98/1094900598.db2.gz HZFUYKNBZLCEEM-OAHLLOKOSA-N 0 1 367.478 4.267 20 30 FIEDMN CCc1ccc([C@@H]2CCCN(C(=O)N[C@H]3CCCc4cn[nH]c43)C2)cc1 ZINC000329549756 1094965001 /nfs/dbraw/zinc/96/50/01/1094965001.db2.gz PCTSTQXMABOWFS-MOPGFXCFSA-N 0 1 352.482 4.143 20 30 FIEDMN Cc1cnn([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4ccc(C(C)C)cc43)C2)c1 ZINC000329672439 1095091684 /nfs/dbraw/zinc/09/16/84/1095091684.db2.gz SLRXDSLYRALLME-QUCCMNQESA-N 0 1 352.482 4.163 20 30 FIEDMN CC(C)c1nc([C@@H]2CCCCN2CC(=O)Nc2ccc(F)c(F)c2)n[nH]1 ZINC000329772154 1095259909 /nfs/dbraw/zinc/25/99/09/1095259909.db2.gz HGPPVVVQGDAHMF-HNNXBMFYSA-N 0 1 363.412 4.022 20 30 FIEDMN CC(C)(CNC(=O)N[C@H]1CCCc2cn[nH]c21)c1cccc(Cl)c1F ZINC000329918354 1095312789 /nfs/dbraw/zinc/31/27/89/1095312789.db2.gz ZVKMWXAGEUTEOT-AWEZNQCLSA-N 0 1 364.852 4.061 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+]CC2(C)CCCC2)CC1 ZINC000329986786 1095337912 /nfs/dbraw/zinc/33/79/12/1095337912.db2.gz FPUMKJJPGAWDLY-UHFFFAOYSA-N 0 1 354.498 4.476 20 30 FIEDMN Cc1nc(CC2CC2)oc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000330015605 1095351996 /nfs/dbraw/zinc/35/19/96/1095351996.db2.gz OFXISTCAUIKWGU-YJBOKZPZSA-N 0 1 373.522 4.385 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CCC(c3ccsc3)CC1)CC2 ZINC000330036078 1095359692 /nfs/dbraw/zinc/35/96/92/1095359692.db2.gz CIGBGHDHGMBNLQ-GOSISDBHSA-N 0 1 372.538 4.176 20 30 FIEDMN COc1cc(CNc2nccn2Cc2ccccc2Cl)ccc1C#N ZINC000508455077 1095362936 /nfs/dbraw/zinc/36/29/36/1095362936.db2.gz XXOBUOITTPLQGZ-UHFFFAOYSA-N 0 1 352.825 4.077 20 30 FIEDMN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N[C@H]1CCCc2cn[nH]c21 ZINC000330065234 1095366842 /nfs/dbraw/zinc/36/68/42/1095366842.db2.gz CWRNYDQJHABVBY-HNNXBMFYSA-N 0 1 368.437 4.054 20 30 FIEDMN Cc1ccc([C@@H]2OCCC[C@@H]2[NH+]=C([O-])N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1 ZINC000330076778 1095371476 /nfs/dbraw/zinc/37/14/76/1095371476.db2.gz HEGIIMTUEGETFL-CTWRKMMKSA-N 0 1 362.473 4.057 20 30 FIEDMN Cc1ccc([C@@H]2OCCC[C@@H]2NC([O-])=[NH+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1 ZINC000330076778 1095371487 /nfs/dbraw/zinc/37/14/87/1095371487.db2.gz HEGIIMTUEGETFL-CTWRKMMKSA-N 0 1 362.473 4.057 20 30 FIEDMN C[C@@H]1C[C@@H]1[C@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1 ZINC000330100426 1095381549 /nfs/dbraw/zinc/38/15/49/1095381549.db2.gz DNSIKCJONNBHGU-PWBULWKKSA-N 0 1 358.873 4.341 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000330128426 1095387410 /nfs/dbraw/zinc/38/74/10/1095387410.db2.gz JLXPLUBPYCQBGW-GOSISDBHSA-N 0 1 374.435 4.424 20 30 FIEDMN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H]3CCCN3C3CC3)cc2)n1 ZINC000330207856 1095416480 /nfs/dbraw/zinc/41/64/80/1095416480.db2.gz APXJTUGWNJSAEQ-OXJNMPFZSA-N 0 1 352.482 4.133 20 30 FIEDMN CCc1ccc(-c2noc([C@H](C)NCCCC3(C#N)CCOCC3)n2)cc1 ZINC000281412161 1095543215 /nfs/dbraw/zinc/54/32/15/1095543215.db2.gz RDLHYKSMTIEBJO-INIZCTEOSA-N 0 1 368.481 4.050 20 30 FIEDMN Cc1nn(Cc2ccccc2Cl)c(C)c1CNCc1ccc(C#N)s1 ZINC000421356133 1095552765 /nfs/dbraw/zinc/55/27/65/1095552765.db2.gz WEVJWUXYYNJUSS-UHFFFAOYSA-N 0 1 370.909 4.425 20 30 FIEDMN COc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)ccc1OC(C)C ZINC000522828628 1095751120 /nfs/dbraw/zinc/75/11/20/1095751120.db2.gz RLYRJTSZGOSHRE-HNNXBMFYSA-N 0 1 363.417 4.157 20 30 FIEDMN Cc1cc(Cl)nc(CNCc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000281982303 1095802118 /nfs/dbraw/zinc/80/21/18/1095802118.db2.gz KUZRPMLFSXTRBF-UHFFFAOYSA-N 0 1 365.868 4.110 20 30 FIEDMN N#Cc1ccc(CN[C@H]2CCCOc3c(Br)cccc32)s1 ZINC000421885249 1095975272 /nfs/dbraw/zinc/97/52/72/1095975272.db2.gz RAQYYRVAJMMUGU-HNNXBMFYSA-N 0 1 363.280 4.386 20 30 FIEDMN C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000532976917 1098646050 /nfs/dbraw/zinc/64/60/50/1098646050.db2.gz RGLOKDGNOXWISF-WMLDXEAASA-N 0 1 353.853 4.028 20 30 FIEDMN CCN(CC(=O)N(Cc1ccccc1)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000505790654 1098913205 /nfs/dbraw/zinc/91/32/05/1098913205.db2.gz OJLSQEOQENQKCG-IBGZPJMESA-N 0 1 363.505 4.378 20 30 FIEDMN N#Cc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)ccc1F ZINC000505959406 1099581877 /nfs/dbraw/zinc/58/18/77/1099581877.db2.gz GPXHAKJLWOCROX-OAQYLSRUSA-N 0 1 370.387 4.093 20 30 FIEDMN C[C@H](O/C(=N\O)c1cc(F)ccc1F)c1ncc(C(F)(F)F)cc1F ZINC001223889608 1099715204 /nfs/dbraw/zinc/71/52/04/1099715204.db2.gz HEOHGDATLKTHFN-HRXLTMQLSA-N 0 1 364.245 4.431 20 30 FIEDMN Cc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c2cccnc2c1C ZINC000437306322 1099790324 /nfs/dbraw/zinc/79/03/24/1099790324.db2.gz OZFILYCZLYYHGG-UHFFFAOYSA-N 0 1 371.849 4.178 20 30 FIEDMN Cc1ccc(C)n1C1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437409708 1099900356 /nfs/dbraw/zinc/90/03/56/1099900356.db2.gz KDBQSMQYBBTSOM-UHFFFAOYSA-N 0 1 359.420 4.415 20 30 FIEDMN N#Cc1csc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c1 ZINC000437514835 1099963786 /nfs/dbraw/zinc/96/37/86/1099963786.db2.gz LCYNVLJPXSWNIW-UHFFFAOYSA-N 0 1 371.425 4.324 20 30 FIEDMN N#Cc1csc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1 ZINC000437514835 1099963794 /nfs/dbraw/zinc/96/37/94/1099963794.db2.gz LCYNVLJPXSWNIW-UHFFFAOYSA-N 0 1 371.425 4.324 20 30 FIEDMN C[C@@H](c1nc2ccccc2s1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000437641335 1100054920 /nfs/dbraw/zinc/05/49/20/1100054920.db2.gz PPVKPCFKBXLGRO-AWEZNQCLSA-N 0 1 364.474 4.190 20 30 FIEDMN Cc1cc(-c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)cc2nc[nH]c21 ZINC000615133241 1100078019 /nfs/dbraw/zinc/07/80/19/1100078019.db2.gz TZYOOTCKVIXCAT-SFHVURJKSA-N 0 1 370.416 4.135 20 30 FIEDMN N#Cc1cc(NC(=O)Cc2n[nH]c3ccccc32)ccc1Oc1ccccc1 ZINC000506136693 1100216234 /nfs/dbraw/zinc/21/62/34/1100216234.db2.gz PXYXFXGVVPONFH-UHFFFAOYSA-N 0 1 368.396 4.408 20 30 FIEDMN COc1cc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1C#N ZINC000517264881 1100245049 /nfs/dbraw/zinc/24/50/49/1100245049.db2.gz AZXCUOREAUZJCB-UHFFFAOYSA-N 0 1 363.373 4.025 20 30 FIEDMN N#CC(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000517570897 1100506729 /nfs/dbraw/zinc/50/67/29/1100506729.db2.gz YNYMPLVXFZPCFR-OAHLLOKOSA-N 0 1 367.361 4.347 20 30 FIEDMN Cc1oc(NC(=O)CN(C2CC2)[C@H]2CCCc3ccccc32)c(C#N)c1C ZINC000438737128 1100888953 /nfs/dbraw/zinc/88/89/53/1100888953.db2.gz XLNQJNZGKJIROG-FQEVSTJZSA-N 0 1 363.461 4.249 20 30 FIEDMN COc1ccc(C#N)cc1CNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475702446 1101360297 /nfs/dbraw/zinc/36/02/97/1101360297.db2.gz SYRAVOKBJUPOGK-UHFFFAOYSA-N 0 1 364.367 4.490 20 30 FIEDMN COc1ccc(CN(Cc2ccc(C#N)cc2Cl)[C@H](CO)C(C)C)cc1 ZINC000439427396 1101425847 /nfs/dbraw/zinc/42/58/47/1101425847.db2.gz DFNOPAUCGHSGAB-OAQYLSRUSA-N 0 1 372.896 4.239 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN2CCC[C@H](c3nccs3)C2)cc1 ZINC000177088969 1101483883 /nfs/dbraw/zinc/48/38/83/1101483883.db2.gz XZSCTKRXGVHGJW-HNNXBMFYSA-N 0 1 350.409 4.393 20 30 FIEDMN Cc1cccc(C(NCC(=O)N[C@@](C)(C#N)C(C)C)c2cccc(C)c2)c1 ZINC000439550189 1101543416 /nfs/dbraw/zinc/54/34/16/1101543416.db2.gz LCGTZHMIIXZUOS-QHCPKHFHSA-N 0 1 363.505 4.037 20 30 FIEDMN Cc1sc(NC(=O)CN2CC[C@H](Cc3ccccc3)[C@H]2C)c(C#N)c1C ZINC000426430092 1101565957 /nfs/dbraw/zinc/56/59/57/1101565957.db2.gz NDURPHJQLMOTFM-CRAIPNDOSA-N 0 1 367.518 4.128 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)o1 ZINC000537348431 1101684205 /nfs/dbraw/zinc/68/42/05/1101684205.db2.gz CJGHRHBKEOKREP-UHFFFAOYSA-N 0 1 368.414 4.361 20 30 FIEDMN N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccoc3)cc2Cl)cc1 ZINC000506660989 1101711638 /nfs/dbraw/zinc/71/16/38/1101711638.db2.gz DEVSYHPWECDHDC-UHFFFAOYSA-N 0 1 374.805 4.398 20 30 FIEDMN Cc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)nn1C1CCCCC1 ZINC000537380744 1101744638 /nfs/dbraw/zinc/74/46/38/1101744638.db2.gz CCDJRPNTJKNWQT-INIZCTEOSA-N 0 1 361.449 4.372 20 30 FIEDMN C[C@@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(C#N)c(F)c1 ZINC000537406754 1101752133 /nfs/dbraw/zinc/75/21/33/1101752133.db2.gz IIDVVQJPLZGQNJ-OAHLLOKOSA-N 0 1 374.419 4.195 20 30 FIEDMN C=CCCC1(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000476067374 1101856440 /nfs/dbraw/zinc/85/64/40/1101856440.db2.gz WQIOUVWMVJDSEV-QGZVFWFLSA-N 0 1 366.427 4.142 20 30 FIEDMN N#CCc1ccccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 ZINC000475810881 1101926385 /nfs/dbraw/zinc/92/63/85/1101926385.db2.gz NRIJCKNKSIWWGX-UHFFFAOYSA-N 0 1 364.426 4.346 20 30 FIEDMN C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(C)c(F)c(F)c1)[C@@H]2CC ZINC001143600340 1102197438 /nfs/dbraw/zinc/19/74/38/1102197438.db2.gz TXPKXCUHEGUOPY-NQIIRXRSSA-N 0 1 362.464 4.195 20 30 FIEDMN Cc1ccc([N+](=O)[O-])cc1N=NC(C)c1nc2ccc(Cl)cc2n1C ZINC000760253612 1102215528 /nfs/dbraw/zinc/21/55/28/1102215528.db2.gz GSNGACTTXSHOSF-UHFFFAOYSA-N 0 1 357.801 4.279 20 30 FIEDMN C[C@@H](OC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000783784557 1102274477 /nfs/dbraw/zinc/27/44/77/1102274477.db2.gz FZWYSZVDXFRION-UZLBHIALSA-N 0 1 366.436 4.214 20 30 FIEDMN Cc1cc(C#N)cnc1C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000550782574 1102291914 /nfs/dbraw/zinc/29/19/14/1102291914.db2.gz PVURXXJQAGXSCP-UHFFFAOYSA-N 0 1 371.375 4.196 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1C1CCC1 ZINC000532559173 1102479935 /nfs/dbraw/zinc/47/99/35/1102479935.db2.gz NEFFYFULPNYYAI-YJBOKZPZSA-N 0 1 357.523 4.284 20 30 FIEDMN CC[C@@H](C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000550142166 1102586275 /nfs/dbraw/zinc/58/62/75/1102586275.db2.gz ABTQWKJIDMEIJU-GCJKJVERSA-N 0 1 363.505 4.378 20 30 FIEDMN C=CCC(CC=C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469497281 1102586697 /nfs/dbraw/zinc/58/66/97/1102586697.db2.gz GIRZKGDEOUYFFZ-QGZVFWFLSA-N 0 1 354.416 4.193 20 30 FIEDMN N#Cc1ccsc1NC(=O)CCN1CCC(=Cc2ccccc2F)CC1 ZINC000532647446 1102683225 /nfs/dbraw/zinc/68/32/25/1102683225.db2.gz CJMCYBLYQKLCKO-UHFFFAOYSA-N 0 1 369.465 4.267 20 30 FIEDMN CCCCCCCCOc1ccc(-c2noc([C@@H]3C[C@@](C)(O)CN3)n2)cc1 ZINC001211935310 1102813874 /nfs/dbraw/zinc/81/38/74/1102813874.db2.gz LBVALAGWRMSIAG-GHTZIAJQSA-N 0 1 373.497 4.261 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccccc2Cl)no1 ZINC001211975945 1103137643 /nfs/dbraw/zinc/13/76/43/1103137643.db2.gz VDFHEOUHLHEBJP-PBHICJAKSA-N 0 1 363.889 4.468 20 30 FIEDMN C[C@@H](NC(=O)CNC1(c2cccc(C#N)c2)CC1)c1ccc2ccccc2c1 ZINC000551411304 1103190584 /nfs/dbraw/zinc/19/05/84/1103190584.db2.gz DWHQDWQEQWDSQR-QGZVFWFLSA-N 0 1 369.468 4.168 20 30 FIEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1ccccc1-c1ccccc1 ZINC000507276434 1103262021 /nfs/dbraw/zinc/26/20/21/1103262021.db2.gz WWEUJXHVAUJICQ-WZONZLPQSA-N 0 1 363.505 4.228 20 30 FIEDMN N#Cc1cccc(C2(N[C@H]3CCCc4nn(-c5ccccc5)cc43)CC2)c1 ZINC000551560882 1103359670 /nfs/dbraw/zinc/35/96/70/1103359670.db2.gz VQGGKZKCWPQBOX-NRFANRHFSA-N 0 1 354.457 4.400 20 30 FIEDMN N#Cc1cccc(C2(N[C@@H]3CCCc4nn(-c5ccccc5)cc43)CC2)c1 ZINC000551560893 1103361604 /nfs/dbraw/zinc/36/16/04/1103361604.db2.gz VQGGKZKCWPQBOX-OAQYLSRUSA-N 0 1 354.457 4.400 20 30 FIEDMN C[C@@H](N=c1ccc2cc(C#N)ccc2[nH]1)c1nc2ccccc2n1C(F)F ZINC000537872192 1103984297 /nfs/dbraw/zinc/98/42/97/1103984297.db2.gz BFNPSZLUTZNAQJ-GFCCVEGCSA-N 0 1 363.371 4.446 20 30 FIEDMN C[C@H](NCc1ccc(C#N)cc1OC(F)F)c1ccc(-n2cccn2)cc1 ZINC000538237733 1104065824 /nfs/dbraw/zinc/06/58/24/1104065824.db2.gz HRQOBYCNHYRENU-AWEZNQCLSA-N 0 1 368.387 4.196 20 30 FIEDMN CCOC(=O)[C@H]1CN(Cc2ccccc2C(C)(C)C#N)Cc2ccccc21 ZINC000441112337 1104136642 /nfs/dbraw/zinc/13/66/42/1104136642.db2.gz CZTRQQKCHHQXPS-FQEVSTJZSA-N 0 1 362.473 4.150 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccnn3CC(C)C)n2)cc1 ZINC000520405330 1104326733 /nfs/dbraw/zinc/32/67/33/1104326733.db2.gz GMSNCZJRBTWPAZ-MRXNPFEDSA-N 0 1 364.474 4.461 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CC[C@@H](c4cccc(F)c4)C3)C2)[nH]n1 ZINC000328744980 1104548320 /nfs/dbraw/zinc/54/83/20/1104548320.db2.gz PBRMUUUDOYMFBQ-ZHALLVOQSA-N 0 1 370.472 4.287 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)C2)[nH]n1 ZINC000328744980 1104548327 /nfs/dbraw/zinc/54/83/27/1104548327.db2.gz PBRMUUUDOYMFBQ-ZHALLVOQSA-N 0 1 370.472 4.287 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+]CC3(c4cccc(Cl)c4)CC3)C2)[nH]n1 ZINC000328753239 1104550566 /nfs/dbraw/zinc/55/05/66/1104550566.db2.gz SEPICPLAGQZMOU-OAHLLOKOSA-N 0 1 372.900 4.197 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NCC3(c4cccc(Cl)c4)CC3)C2)[nH]n1 ZINC000328753239 1104550576 /nfs/dbraw/zinc/55/05/76/1104550576.db2.gz SEPICPLAGQZMOU-OAHLLOKOSA-N 0 1 372.900 4.197 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NCc3csc4ccccc34)C2)n[nH]1 ZINC000328822251 1104565147 /nfs/dbraw/zinc/56/51/47/1104565147.db2.gz RLGAHGVUCUWXHP-CQSZACIVSA-N 0 1 354.479 4.226 20 30 FIEDMN C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@@H](C2CCOCC2)C1 ZINC000328827618 1104582827 /nfs/dbraw/zinc/58/28/27/1104582827.db2.gz JPTLYCWAFJDBAP-DZGCQCFKSA-N 0 1 368.424 4.013 20 30 FIEDMN Cc1c2ccccc2oc1[C@H](C)N[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000183571019 1105056976 /nfs/dbraw/zinc/05/69/76/1105056976.db2.gz HDINJPHENXJHEP-HOTGVXAUSA-N 0 1 353.466 4.123 20 30 FIEDMN CC(C)(C#N)c1ccc(CN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000665168274 1105161649 /nfs/dbraw/zinc/16/16/49/1105161649.db2.gz OUYLGGALRKQANU-QHCPKHFHSA-N 0 1 360.457 4.098 20 30 FIEDMN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C1CC1 ZINC000507825016 1105228974 /nfs/dbraw/zinc/22/89/74/1105228974.db2.gz QJLPQPGCONMLCO-UHFFFAOYSA-N 0 1 356.514 4.295 20 30 FIEDMN Cn1c(CN[C@H]2CCCc3cc(C#N)ccc32)nc2cc(Cl)ccc21 ZINC000427888531 1105312037 /nfs/dbraw/zinc/31/20/37/1105312037.db2.gz DMALIQZHJFXETQ-KRWDZBQOSA-N 0 1 350.853 4.266 20 30 FIEDMN Cc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)ccc1F ZINC000451167087 1106956392 /nfs/dbraw/zinc/95/63/92/1106956392.db2.gz YXDQTXCRKAJPAS-OLZOCXBDSA-N 0 1 371.481 4.234 20 30 FIEDMN N#Cc1ccsc1NC(=O)CN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451357158 1107051244 /nfs/dbraw/zinc/05/12/44/1107051244.db2.gz SRODLGQDYMSCHC-MRXNPFEDSA-N 0 1 363.845 4.092 20 30 FIEDMN Cc1ccccc1[C@@H](CO)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000530616643 1107200539 /nfs/dbraw/zinc/20/05/39/1107200539.db2.gz BCUPTQNESXIYCK-XMMPIXPASA-N 0 1 372.468 4.269 20 30 FIEDMN N#Cc1ccsc1NC(=O)CN(Cc1ccccc1)C1CCCCC1 ZINC000054269001 1107205582 /nfs/dbraw/zinc/20/55/82/1107205582.db2.gz NEJOGUYRLXFJHR-UHFFFAOYSA-N 0 1 353.491 4.393 20 30 FIEDMN C=CCN(C(=O)c1cc(C)cc2c[nH]nc21)c1nc2c(s1)CCCC2 ZINC000530779041 1107325585 /nfs/dbraw/zinc/32/55/85/1107325585.db2.gz LQRLYTUSBWXBLN-UHFFFAOYSA-N 0 1 352.463 4.039 20 30 FIEDMN C=CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000523220653 1107993496 /nfs/dbraw/zinc/99/34/96/1107993496.db2.gz XMENDIJPQFFDBE-FQEVSTJZSA-N 0 1 367.493 4.123 20 30 FIEDMN N#CC(CCN1CCc2ncsc2C1)(c1ccccc1)c1ccccc1 ZINC000444670259 1108072919 /nfs/dbraw/zinc/07/29/19/1108072919.db2.gz AQNTVIUOVVODLO-UHFFFAOYSA-N 0 1 359.498 4.401 20 30 FIEDMN Cc1ccc(F)c(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000444741064 1108141388 /nfs/dbraw/zinc/14/13/88/1108141388.db2.gz YIKRACJEQNDQGG-UHFFFAOYSA-N 0 1 371.481 4.017 20 30 FIEDMN C=CC1CCN(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000523598871 1108368950 /nfs/dbraw/zinc/36/89/50/1108368950.db2.gz PRFGHJIHABNPKR-LJQANCHMSA-N 0 1 361.917 4.085 20 30 FIEDMN N#Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)s1 ZINC000440754608 1108774200 /nfs/dbraw/zinc/77/42/00/1108774200.db2.gz CDQVNNNJLKUADW-CQSZACIVSA-N 0 1 356.838 4.127 20 30 FIEDMN COc1cc(CNCc2ccnc(O[C@H](C)CC(C)C)c2)ccc1C#N ZINC000440810163 1108889052 /nfs/dbraw/zinc/88/90/52/1108889052.db2.gz QVVUGJWRIQFORF-MRXNPFEDSA-N 0 1 353.466 4.065 20 30 FIEDMN COc1cc(CNCc2cccnc2Oc2cccc(F)c2)ccc1C#N ZINC000440813134 1108890492 /nfs/dbraw/zinc/89/04/92/1108890492.db2.gz WEZSPBVCWOHKTM-UHFFFAOYSA-N 0 1 363.392 4.183 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCC2(CCCC2)C1 ZINC000445858265 1109012146 /nfs/dbraw/zinc/01/21/46/1109012146.db2.gz CSHSLPLHBQFLSD-QGZVFWFLSA-N 0 1 357.473 4.117 20 30 FIEDMN N#Cc1cccc(-c2nnc(CN3CCC(Cc4ccccc4)CC3)o2)c1 ZINC000441252097 1109522221 /nfs/dbraw/zinc/52/22/21/1109522221.db2.gz DXDVLFBMZSLKRH-UHFFFAOYSA-N 0 1 358.445 4.063 20 30 FIEDMN COc1cccc(C2(NCC#Cc3ccc(Cl)cc3)CCOCC2)c1F ZINC000447356526 1109522337 /nfs/dbraw/zinc/52/23/37/1109522337.db2.gz SRJVKAXJNTZCLG-UHFFFAOYSA-N 0 1 373.855 4.135 20 30 FIEDMN C[C@H](c1cccc(C#N)c1)N1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447398606 1109533546 /nfs/dbraw/zinc/53/35/46/1109533546.db2.gz SNKJTOJYPOEVDY-ZWKOTPCHSA-N 0 1 356.473 4.378 20 30 FIEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447400090 1109533966 /nfs/dbraw/zinc/53/39/66/1109533966.db2.gz YJMPMYSIPNXCED-MSOLQXFVSA-N 0 1 356.473 4.378 20 30 FIEDMN N#Cc1ccccc1OC1CCC(N[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000527360499 1109749445 /nfs/dbraw/zinc/74/94/45/1109749445.db2.gz LXBGAWHCXACWQY-QETWGEEDSA-N 0 1 372.472 4.351 20 30 FIEDMN N#Cc1cc(CN2CCC(Cc3nc(C4CCCC4)no3)CC2)ccc1F ZINC000528577056 1110033791 /nfs/dbraw/zinc/03/37/91/1110033791.db2.gz GGFABVVIUUZANP-UHFFFAOYSA-N 0 1 368.456 4.193 20 30 FIEDMN COc1cc(C#N)ccc1OCCNC(C)(C)c1nc2ccccc2s1 ZINC000528608667 1110051846 /nfs/dbraw/zinc/05/18/46/1110051846.db2.gz CMTCHEUVWXRIJO-UHFFFAOYSA-N 0 1 367.474 4.080 20 30 FIEDMN N#CC1(CCCN2CCc3c(cccc3C(F)(F)F)C2)CCOCC1 ZINC000528721387 1110093786 /nfs/dbraw/zinc/09/37/86/1110093786.db2.gz SZQFZSKMECMWSV-UHFFFAOYSA-N 0 1 352.400 4.164 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(O[C@H]4CC4(F)F)cc3)[nH]c21 ZINC000528954701 1110157821 /nfs/dbraw/zinc/15/78/21/1110157821.db2.gz UVCTUANKVMCGQE-HOCLYGCPSA-N 0 1 367.355 4.148 20 30 FIEDMN N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc4occc4c3)CC2)c1 ZINC000529272385 1110244579 /nfs/dbraw/zinc/24/45/79/1110244579.db2.gz AHPNISLMZMWGCT-UHFFFAOYSA-N 0 1 374.444 4.091 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H](C)c4cccc(C#N)c4)C3)[nH]c2c1 ZINC000462012252 1111463937 /nfs/dbraw/zinc/46/39/37/1111463937.db2.gz CENFJMPOEHJPAS-VQIMIIECSA-N 0 1 372.472 4.253 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2cc3c(s2)-c2ccccc2CC3)nc(C)n1 ZINC000041574859 1111723355 /nfs/dbraw/zinc/72/33/55/1111723355.db2.gz HRRMMCTZHCGMCR-QGZVFWFLSA-N 0 1 359.454 4.411 20 30 FIEDMN C=CCC1(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000479088223 1111942391 /nfs/dbraw/zinc/94/23/91/1111942391.db2.gz DJDBEERMXJBZTK-KRWDZBQOSA-N 0 1 366.427 4.142 20 30 FIEDMN CCCC[C@@H](CC)CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000479251932 1111975959 /nfs/dbraw/zinc/97/59/59/1111975959.db2.gz UGKYXNPIAFTRFI-LJQANCHMSA-N 0 1 355.526 4.267 20 30 FIEDMN N#CC1(NC(=O)CCCC2CCCC2)CCN(Cc2ccccc2)CC1 ZINC000479316763 1111990858 /nfs/dbraw/zinc/99/08/58/1111990858.db2.gz YCHJBOGJWYOIML-UHFFFAOYSA-N 0 1 353.510 4.021 20 30 FIEDMN COc1ccc(C(=O)C2CCN(Cc3ccc(C4(C#N)CC4)cc3)CC2)cc1 ZINC000667493471 1112035240 /nfs/dbraw/zinc/03/52/40/1112035240.db2.gz SVNKEWGKZINBQD-UHFFFAOYSA-N 0 1 374.484 4.345 20 30 FIEDMN COc1ccc(-c2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)[nH]n2)cc1 ZINC000480118224 1112289776 /nfs/dbraw/zinc/28/97/76/1112289776.db2.gz PLTDPDFRYREKSP-UHFFFAOYSA-N 0 1 360.417 4.139 20 30 FIEDMN COc1ccc(C(NCc2ccc(C#N)cc2)c2ccc(OC)cc2)cc1 ZINC000042121534 1112500983 /nfs/dbraw/zinc/50/09/83/1112500983.db2.gz VCPVVTPEGXGZPS-UHFFFAOYSA-N 0 1 358.441 4.455 20 30 FIEDMN C=C(C)[C@@H](N[C@@H](C)CC(=O)N1CCCCCC1)c1ccc(F)c(F)c1 ZINC000480658647 1112534410 /nfs/dbraw/zinc/53/44/10/1112534410.db2.gz BMDOUDLGVBSDJO-MGPUTAFESA-N 0 1 350.453 4.353 20 30 FIEDMN COc1ccc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1OCCCC#N ZINC000600182498 1112918425 /nfs/dbraw/zinc/91/84/25/1112918425.db2.gz DKXZOYDZHHJBEN-GJZGRUSLSA-N 0 1 352.425 4.101 20 30 FIEDMN COc1ccc(CN2CC(Cc3cccs3)C2)cc1OCCCC#N ZINC000600216256 1112931475 /nfs/dbraw/zinc/93/14/75/1112931475.db2.gz XBOJRJJPBJQPQU-UHFFFAOYSA-N 0 1 356.491 4.114 20 30 FIEDMN C=CCOc1c(Br)cc(CN[C@H]2CCC[C@H]2F)cc1OC ZINC000555644879 1112956100 /nfs/dbraw/zinc/95/61/00/1112956100.db2.gz OQALRVAADHXHHF-KGLIPLIRSA-N 0 1 358.251 4.003 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)c1ccco1 ZINC000158133846 1113211373 /nfs/dbraw/zinc/21/13/73/1113211373.db2.gz DZQRWXDMRMFCJQ-RTBURBONSA-N 0 1 368.481 4.007 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nccc3ccccc32)c2cnn(C(C)C)c2n1 ZINC000483189563 1113463219 /nfs/dbraw/zinc/46/32/19/1113463219.db2.gz CDKSLTROQRAOMG-GOSISDBHSA-N 0 1 369.428 4.359 20 30 FIEDMN Cn1c2ccccc2c(Cl)c1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000483234578 1113468377 /nfs/dbraw/zinc/46/83/77/1113468377.db2.gz KKOBAGQXUGZXOC-CYBMUJFWSA-N 0 1 360.804 4.265 20 30 FIEDMN Cn1c2ccccc2c(Cl)c1C(=O)[C@H](C#N)c1cnc2ccccc2n1 ZINC000483234578 1113468379 /nfs/dbraw/zinc/46/83/79/1113468379.db2.gz KKOBAGQXUGZXOC-CYBMUJFWSA-N 0 1 360.804 4.265 20 30 FIEDMN COc1cc(CNCc2cc(Cl)ccc2OCC2CC2)ccc1C#N ZINC000571572040 1114477914 /nfs/dbraw/zinc/47/79/14/1114477914.db2.gz SNWSZTJTVBHVIW-UHFFFAOYSA-N 0 1 356.853 4.299 20 30 FIEDMN N#CC(C(=O)c1ccc(Oc2ccccc2)cn1)c1cnc2ccccc2n1 ZINC000571743537 1114501975 /nfs/dbraw/zinc/50/19/75/1114501975.db2.gz MMODEFMOFVPGAP-QGZVFWFLSA-N 0 1 366.380 4.307 20 30 FIEDMN Cc1ccc(Cl)c2ccc(NS(=O)(=O)c3cccc(CC#N)c3)nc12 ZINC000589588706 1114813850 /nfs/dbraw/zinc/81/38/50/1114813850.db2.gz DYYOBIPWCKQMBN-UHFFFAOYSA-N 0 1 371.849 4.064 20 30 FIEDMN N#Cc1nc(N2CCN(Cc3cccc4ccccc43)CC2)sc1Cl ZINC000590572647 1114949960 /nfs/dbraw/zinc/94/99/60/1114949960.db2.gz OADGTSDDHBFDGJ-UHFFFAOYSA-N 0 1 368.893 4.144 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000573115782 1115045612 /nfs/dbraw/zinc/04/56/12/1115045612.db2.gz NWRFBSOBBRCLRB-RYRKJORJSA-N 0 1 357.523 4.284 20 30 FIEDMN N#CCC[C@@H](C#N)CNCC1(c2ccc(Br)cc2Cl)CC1 ZINC000591373492 1115070797 /nfs/dbraw/zinc/07/07/97/1115070797.db2.gz JGWRIDKPTQYFPA-LBPRGKRZSA-N 0 1 366.690 4.167 20 30 FIEDMN CCCCCCCCN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000157340355 1115084419 /nfs/dbraw/zinc/08/44/19/1115084419.db2.gz YDVKGHIGNUXOEU-UHFFFAOYSA-N 0 1 359.558 4.220 20 30 FIEDMN COc1ccc(Br)cc1C1(NCc2ccc(C#N)cc2C)CC1 ZINC000592138030 1115206441 /nfs/dbraw/zinc/20/64/41/1115206441.db2.gz XFKVSURXCYJVNI-UHFFFAOYSA-N 0 1 371.278 4.417 20 30 FIEDMN CC(C)Oc1ccc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000592974409 1115272659 /nfs/dbraw/zinc/27/26/59/1115272659.db2.gz WMOLUNIVMTVFKC-CYBMUJFWSA-N 0 1 355.394 4.108 20 30 FIEDMN CC(C)(C#N)c1ccc(S(=O)(=O)Nc2cccc3c2OC(C)(C)C3)cc1 ZINC000593211906 1115307194 /nfs/dbraw/zinc/30/71/94/1115307194.db2.gz NBGVVXHDQGQVRW-UHFFFAOYSA-N 0 1 370.474 4.002 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(C(=O)OC(C)(C)C)nc2)n1 ZINC000593462553 1115328170 /nfs/dbraw/zinc/32/81/70/1115328170.db2.gz WNTAJKPYCCJWEB-ZDUSSCGKSA-N 0 1 371.462 4.107 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000058989444 1115392138 /nfs/dbraw/zinc/39/21/38/1115392138.db2.gz ATOYYMDRQCYDHL-UHFFFAOYSA-N 0 1 356.360 4.493 20 30 FIEDMN COc1ccc(CNC(C)(C)c2cccc(C#N)c2)c(Br)c1 ZINC000594970126 1115498857 /nfs/dbraw/zinc/49/88/57/1115498857.db2.gz UEUIARXWOBXCLY-UHFFFAOYSA-N 0 1 359.267 4.354 20 30 FIEDMN CC1(C)Cc2cccc(CNC3(c4cccc(C#N)c4)CCOCC3)c2O1 ZINC000594982334 1115505713 /nfs/dbraw/zinc/50/57/13/1115505713.db2.gz DULPPTVMFBLOFL-UHFFFAOYSA-N 0 1 362.473 4.067 20 30 FIEDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000595042814 1115511630 /nfs/dbraw/zinc/51/16/30/1115511630.db2.gz BXCQVEVQAJQAPH-DJJJIMSYSA-N 0 1 351.406 4.203 20 30 FIEDMN COc1ccc(-c2cc(CN[C@H]3CCCc4cc(C#N)ccc43)on2)cc1 ZINC000595077783 1115516890 /nfs/dbraw/zinc/51/68/90/1115516890.db2.gz WUSFYQLENFFXPD-NRFANRHFSA-N 0 1 359.429 4.389 20 30 FIEDMN C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC1(C#N)CCCCC1 ZINC000595090531 1115517396 /nfs/dbraw/zinc/51/73/96/1115517396.db2.gz HHMFTWVLDNUVSD-MRXNPFEDSA-N 0 1 361.917 4.141 20 30 FIEDMN C[C@@H](NCC1(C#N)CCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000595090637 1115517715 /nfs/dbraw/zinc/51/77/15/1115517715.db2.gz JVVGAPAOQLXKTM-QGZVFWFLSA-N 0 1 352.482 4.124 20 30 FIEDMN C#CCOc1ccc([C@H](C)N[C@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000168560027 1115517921 /nfs/dbraw/zinc/51/79/21/1115517921.db2.gz OUXDPASTWHVEAG-LSDHHAIUSA-N 0 1 357.425 4.267 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@@H](c3ccccn3)C2)c(Br)c1 ZINC000595500083 1115538967 /nfs/dbraw/zinc/53/89/67/1115538967.db2.gz HYLAAYFONKXAHS-MRXNPFEDSA-N 0 1 356.267 4.095 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC[C@H](c3ccccn3)C2)c1 ZINC000595503971 1115539283 /nfs/dbraw/zinc/53/92/83/1115539283.db2.gz ZXUKRBAEFRJMHM-HNNXBMFYSA-N 0 1 356.267 4.095 20 30 FIEDMN N#CC[C@@H]1CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000595621699 1115551701 /nfs/dbraw/zinc/55/17/01/1115551701.db2.gz XSYMFOSLNBCKCS-AWEZNQCLSA-N 0 1 371.282 4.032 20 30 FIEDMN N#Cc1ccc(CNCc2cnccc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000596063079 1115572951 /nfs/dbraw/zinc/57/29/51/1115572951.db2.gz QUTUPRSBVHVZCG-UHFFFAOYSA-N 0 1 359.273 4.281 20 30 FIEDMN CN1CC[C@@H](Nc2nc3ncccc3cc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000596178098 1115578754 /nfs/dbraw/zinc/57/87/54/1115578754.db2.gz IBZSZBNYLKNJMG-QZTJIDSGSA-N 0 1 363.852 4.012 20 30 FIEDMN CN1CC[C@H](Nc2nc3ncccc3cc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000596178110 1115578845 /nfs/dbraw/zinc/57/88/45/1115578845.db2.gz IBZSZBNYLKNJMG-ZWKOTPCHSA-N 0 1 363.852 4.012 20 30 FIEDMN Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC[C@H](CC#N)C1 ZINC000597173321 1115646126 /nfs/dbraw/zinc/64/61/26/1115646126.db2.gz IOWPDSNDLAWPCW-QGZVFWFLSA-N 0 1 356.901 4.327 20 30 FIEDMN Cc1nn(-c2ccccc2Br)cc1CN1CCC[C@H](CC#N)C1 ZINC000597176333 1115646552 /nfs/dbraw/zinc/64/65/52/1115646552.db2.gz HROZMTPLRHLFPY-OAHLLOKOSA-N 0 1 373.298 4.069 20 30 FIEDMN CC(C)[C@H](O)[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000597226278 1115651027 /nfs/dbraw/zinc/65/10/27/1115651027.db2.gz KSDBXDLTHQMADI-OALUTQOASA-N 0 1 362.395 4.425 20 30 FIEDMN Cc1oc2ccccc2c1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593351852 1115665181 /nfs/dbraw/zinc/66/51/81/1115665181.db2.gz SZFUCQSRZGQHAI-UHFFFAOYSA-N 0 1 373.456 4.007 20 30 FIEDMN CC[C@H](CC1CCCC1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593354509 1115666715 /nfs/dbraw/zinc/66/67/15/1115666715.db2.gz QDVQPAYERDPJNG-OAQYLSRUSA-N 0 1 367.537 4.245 20 30 FIEDMN CC1(C)CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000761254584 1115706305 /nfs/dbraw/zinc/70/63/05/1115706305.db2.gz QFFJOROZWFYWNU-UHFFFAOYSA-N 0 1 371.868 4.491 20 30 FIEDMN C=CCCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1OC ZINC000669648711 1115717337 /nfs/dbraw/zinc/71/73/37/1115717337.db2.gz YOWVJJSJOGLFRB-UHFFFAOYSA-N 0 1 351.855 4.268 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000602698055 1115718793 /nfs/dbraw/zinc/71/87/93/1115718793.db2.gz XGBSRLSACUFARQ-INIZCTEOSA-N 0 1 374.410 4.277 20 30 FIEDMN COc1cc(CN2CCC(c3ccc(C#N)cn3)CC2)ccc1SC ZINC000602909190 1115731747 /nfs/dbraw/zinc/73/17/47/1115731747.db2.gz IJETVOSRDLDWHX-UHFFFAOYSA-N 0 1 353.491 4.063 20 30 FIEDMN N#Cc1cccc(CN2CCC(NC(=O)Nc3cscc3Cl)CC2)c1 ZINC000603167511 1115747527 /nfs/dbraw/zinc/74/75/27/1115747527.db2.gz BYKLDFNFYSZYCH-UHFFFAOYSA-N 0 1 374.897 4.059 20 30 FIEDMN Cc1oc(-c2ccsc2)nc1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000170709888 1115755073 /nfs/dbraw/zinc/75/50/73/1115755073.db2.gz WWPKRDPAHCITMD-ZDUSSCGKSA-N 0 1 363.398 4.272 20 30 FIEDMN C=CCOc1ccc(CNCc2cc3c(cc2OCC)C[C@H](C)O3)cc1 ZINC000061028561 1115755370 /nfs/dbraw/zinc/75/53/70/1115755370.db2.gz BVXTZRAOHRSPQN-INIZCTEOSA-N 0 1 353.462 4.263 20 30 FIEDMN CC(C)(C)OC(=O)[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)c2ccccc21 ZINC000593684956 1115792278 /nfs/dbraw/zinc/79/22/78/1115792278.db2.gz ANYOSTOFYBMKDL-ICSRJNTNSA-N 0 1 366.436 4.357 20 30 FIEDMN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCc2cc(C#N)cs2)c2ccccc21 ZINC000593692228 1115797129 /nfs/dbraw/zinc/79/71/29/1115797129.db2.gz WCHKATNKHPATKQ-QZTJIDSGSA-N 0 1 354.475 4.280 20 30 FIEDMN CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000593708858 1115801830 /nfs/dbraw/zinc/80/18/30/1115801830.db2.gz RKNNHRGQVUHWLZ-SFHVURJKSA-N 0 1 366.461 4.314 20 30 FIEDMN N#Cc1ccc(CN2CC[C@H](Sc3ccc(Br)cc3)C2)nc1 ZINC000599526820 1115822970 /nfs/dbraw/zinc/82/29/70/1115822970.db2.gz UJMCHGKQXDMPKP-KRWDZBQOSA-N 0 1 374.307 4.082 20 30 FIEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603890217 1115826484 /nfs/dbraw/zinc/82/64/84/1115826484.db2.gz UBLWMRSMHIJMHR-QFBILLFUSA-N 0 1 372.472 4.246 20 30 FIEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603890248 1115826517 /nfs/dbraw/zinc/82/65/17/1115826517.db2.gz VZVBYDKBULWQEE-LPHOPBHVSA-N 0 1 372.472 4.246 20 30 FIEDMN CCCc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000603974785 1115837810 /nfs/dbraw/zinc/83/78/10/1115837810.db2.gz HQKFRPSJQKQJFI-UHFFFAOYSA-N 0 1 368.380 4.330 20 30 FIEDMN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000604183462 1115855958 /nfs/dbraw/zinc/85/59/58/1115855958.db2.gz YJTHFZPYGKLTJK-ZDUSSCGKSA-N 0 1 372.384 4.101 20 30 FIEDMN CCS[C@H](C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)C(C)C ZINC000171366030 1115864179 /nfs/dbraw/zinc/86/41/79/1115864179.db2.gz NNRZSUFIOLHDAS-NHYWBVRUSA-N 0 1 373.305 4.418 20 30 FIEDMN COc1c(Cl)cc(Cl)cc1CNCc1ccc(OCC#N)cc1 ZINC000171769326 1115875081 /nfs/dbraw/zinc/87/50/81/1115875081.db2.gz HZPGLLJKXXSQFY-UHFFFAOYSA-N 0 1 351.233 4.194 20 30 FIEDMN COC(=O)c1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1Cl ZINC000594036179 1115972969 /nfs/dbraw/zinc/97/29/69/1115972969.db2.gz YZCQKFONBMMDLG-UHFFFAOYSA-N 0 1 354.837 4.167 20 30 FIEDMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075750274 1116078371 /nfs/dbraw/zinc/07/83/71/1116078371.db2.gz HQTSZYADHXREKW-RDTXWAMCSA-N 0 1 362.408 4.125 20 30 FIEDMN C=CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1F ZINC000063558644 1116079450 /nfs/dbraw/zinc/07/94/50/1116079450.db2.gz PMLKFLBCPYJSGD-UHFFFAOYSA-N 0 1 371.412 4.059 20 30 FIEDMN COc1ccc(CN[C@@H](Cc2ccc(C)cc2)c2ccccn2)cc1C#N ZINC000174399701 1116134467 /nfs/dbraw/zinc/13/44/67/1116134467.db2.gz NYASPWRYWDLDAD-QFIPXVFZSA-N 0 1 357.457 4.344 20 30 FIEDMN C[C@@H]1CN(Cc2ccc(CNc3ccc(Cl)cc3C#N)cc2)C[C@H](C)O1 ZINC000609029785 1116141622 /nfs/dbraw/zinc/14/16/22/1116141622.db2.gz WPGULGDIIPAEHD-IYBDPMFKSA-N 0 1 369.896 4.433 20 30 FIEDMN C[C@H]1CN(Cc2ccc(CNc3ccc(Cl)cc3C#N)cc2)C[C@H](C)O1 ZINC000609029783 1116141716 /nfs/dbraw/zinc/14/17/16/1116141716.db2.gz WPGULGDIIPAEHD-HOTGVXAUSA-N 0 1 369.896 4.433 20 30 FIEDMN N#CCCn1cc(C[N@H+]2CCC[C@H]2c2ccccn2)c(-c2ccccc2)n1 ZINC000535067408 1116266445 /nfs/dbraw/zinc/26/64/45/1116266445.db2.gz IBVSVCWOCVYQOR-NRFANRHFSA-N 0 1 357.461 4.196 20 30 FIEDMN N#CCCn1cc(CN2CCC[C@H]2c2ccccn2)c(-c2ccccc2)n1 ZINC000535067408 1116266447 /nfs/dbraw/zinc/26/64/47/1116266447.db2.gz IBVSVCWOCVYQOR-NRFANRHFSA-N 0 1 357.461 4.196 20 30 FIEDMN Cc1oc(C#N)cc1C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457350620 1116269005 /nfs/dbraw/zinc/26/90/05/1116269005.db2.gz CVJMAPAGDLHRTR-KRWDZBQOSA-N 0 1 368.824 4.357 20 30 FIEDMN Cc1ccc(Cc2cnc(NC(=O)c3ccc(C#N)c(O)c3)s2)cc1F ZINC000442716746 1116285331 /nfs/dbraw/zinc/28/53/31/1116285331.db2.gz COYWBIFKTJMKKN-UHFFFAOYSA-N 0 1 367.405 4.011 20 30 FIEDMN COc1ccc(CN(C)Cc2ccc(OC(F)(F)F)cc2)cc1C#N ZINC000535343152 1116296904 /nfs/dbraw/zinc/29/69/04/1116296904.db2.gz BQARNTJYBWJVRV-UHFFFAOYSA-N 0 1 350.340 4.097 20 30 FIEDMN C=CCOc1ccc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000535368653 1116299747 /nfs/dbraw/zinc/29/97/47/1116299747.db2.gz YEFVIEVMUGRKRK-SFHVURJKSA-N 0 1 351.368 4.093 20 30 FIEDMN C=CCOc1c(Cl)cc(CNCc2ccc3c(n2)CCCC3)cc1OC ZINC000623507997 1116301375 /nfs/dbraw/zinc/30/13/75/1116301375.db2.gz DFNQVPLYNUWSSG-UHFFFAOYSA-N 0 1 372.896 4.477 20 30 FIEDMN CC[C@@H]1CC[C@H](C)N1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000540054460 1117843718 /nfs/dbraw/zinc/84/37/18/1117843718.db2.gz RCCSDVUTZIMIRH-WMLDXEAASA-N 0 1 356.514 4.293 20 30 FIEDMN O=C1[C@H](/N=C/c2cc(Cl)cc(Cl)c2O)CCN1C1CCCCC1 ZINC000130131456 1118041515 /nfs/dbraw/zinc/04/15/15/1118041515.db2.gz NOBUCYHOFLZGDP-IXJMWADBSA-N 0 1 355.265 4.052 20 30 FIEDMN C=CCC[C@@H](NCC(=O)Nc1cc(C)no1)c1ccc(C(F)(F)F)cc1 ZINC000540431107 1118054637 /nfs/dbraw/zinc/05/46/37/1118054637.db2.gz WSZFSXADOIOZCN-OAHLLOKOSA-N 0 1 367.371 4.237 20 30 FIEDMN Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c(OC[C@@H]2CCOC2)c1 ZINC000540706985 1118195701 /nfs/dbraw/zinc/19/57/01/1118195701.db2.gz XHSPDHBNXMEPPR-IAGOWNOFSA-N 0 1 368.452 4.272 20 30 FIEDMN C[C@H](N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(C#N)cc1 ZINC000540918500 1118315279 /nfs/dbraw/zinc/31/52/79/1118315279.db2.gz KURGHOMPRXRTEI-SGTLLEGYSA-N 0 1 374.271 4.321 20 30 FIEDMN CCN(CC)[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000464716188 1118662489 /nfs/dbraw/zinc/66/24/89/1118662489.db2.gz ZQWWKDCLTGNYAD-HOTGVXAUSA-N 0 1 369.431 4.143 20 30 FIEDMN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000464766730 1118687088 /nfs/dbraw/zinc/68/70/88/1118687088.db2.gz DNTWTRDVGDLGPY-SBUREZEXSA-N 0 1 361.489 4.155 20 30 FIEDMN CSc1c(F)cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1F ZINC000542235731 1118855506 /nfs/dbraw/zinc/85/55/06/1118855506.db2.gz QKZASRYZUXDHQY-UHFFFAOYSA-N 0 1 374.821 4.013 20 30 FIEDMN CCN(CCNc1ccc(Br)cc1C#N)CCC(F)(F)F ZINC000491573262 1118965478 /nfs/dbraw/zinc/96/54/78/1118965478.db2.gz RGYINIBTONAMCV-UHFFFAOYSA-N 0 1 364.209 4.007 20 30 FIEDMN Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c(O[C@H]2CCOC2)c1 ZINC000271974133 1119063199 /nfs/dbraw/zinc/06/31/99/1119063199.db2.gz VECMLAMJBUXRBH-BEFAXECRSA-N 0 1 354.425 4.024 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCCN(c3ccccc3)CC2)c1 ZINC000492657844 1119153214 /nfs/dbraw/zinc/15/32/14/1119153214.db2.gz SZOKXLCJLQCMHL-UHFFFAOYSA-N 0 1 370.294 4.033 20 30 FIEDMN Cc1cc(CNCc2cccc(NC(=O)c3ccccc3)c2)ccc1C#N ZINC000443979579 1119156303 /nfs/dbraw/zinc/15/63/03/1119156303.db2.gz PBNHJVYHFUXTKJ-UHFFFAOYSA-N 0 1 355.441 4.409 20 30 FIEDMN CCC(C#N)(CC)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC001127270745 1119394992 /nfs/dbraw/zinc/39/49/92/1119394992.db2.gz PTNHPDYAZURZSU-UHFFFAOYSA-N 0 1 359.433 4.407 20 30 FIEDMN CCC(C#N)(CC)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC001127270745 1119394995 /nfs/dbraw/zinc/39/49/95/1119394995.db2.gz PTNHPDYAZURZSU-UHFFFAOYSA-N 0 1 359.433 4.407 20 30 FIEDMN C[C@@H](C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)(F)F ZINC000493307181 1119437799 /nfs/dbraw/zinc/43/77/99/1119437799.db2.gz VUMVAJXDOMNENS-RCOVLWMOSA-N 0 1 365.220 4.206 20 30 FIEDMN CN(CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccc2[nH]ccc21 ZINC000494104048 1119543258 /nfs/dbraw/zinc/54/32/58/1119543258.db2.gz BPYHLKIRSKPFCT-UHFFFAOYSA-N 0 1 370.456 4.351 20 30 FIEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000183980575 1119591147 /nfs/dbraw/zinc/59/11/47/1119591147.db2.gz IKGJIGHVKRLMJP-UHFFFAOYSA-N 0 1 358.854 4.015 20 30 FIEDMN Cn1cc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1C#N ZINC000191249251 1119967459 /nfs/dbraw/zinc/96/74/59/1119967459.db2.gz QDHQDJLGDUTCNP-UHFFFAOYSA-N 0 1 354.841 4.071 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)c2c(n1)onc2C(C)C ZINC000194375651 1120264753 /nfs/dbraw/zinc/26/47/53/1120264753.db2.gz ZIBVTXZMYIONGS-AWEZNQCLSA-N 0 1 373.416 4.031 20 30 FIEDMN Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)c2c(n1)onc2C(C)C ZINC000194375651 1120264755 /nfs/dbraw/zinc/26/47/55/1120264755.db2.gz ZIBVTXZMYIONGS-AWEZNQCLSA-N 0 1 373.416 4.031 20 30 FIEDMN Clc1nc(Nc2ccccc2)sc1C=[NH+][N-]c1cncc(Cl)n1 ZINC000914560179 1120363476 /nfs/dbraw/zinc/36/34/76/1120363476.db2.gz QORHQXOMFWCLCN-UHFFFAOYSA-N 0 1 365.249 4.430 20 30 FIEDMN C[C@H](C/N=C/c1c(O)ccc2ccccc21)N1CCc2sccc2C1 ZINC000914701298 1120478344 /nfs/dbraw/zinc/47/83/44/1120478344.db2.gz DYMMOHYFYJHMMT-IKMPRTQCSA-N 0 1 350.487 4.473 20 30 FIEDMN CCC[C@H](C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1)C(C)C ZINC000153331298 1120505874 /nfs/dbraw/zinc/50/58/74/1120505874.db2.gz VCFGVOXUQHHQAC-UONOGXRCSA-N 0 1 350.846 4.068 20 30 FIEDMN Cc1cc2ccc(Cl)cc2[nH]c1=NN=Cc1cnc(C2OCCO2)s1 ZINC000761835397 1120524348 /nfs/dbraw/zinc/52/43/48/1120524348.db2.gz YGHOEPXBAGFDCA-UHFFFAOYSA-N 0 1 374.853 4.145 20 30 FIEDMN COc1ccc(CN[C@@H](C)c2ccc(OCC3CC3)c(F)c2)cc1C#N ZINC000153394233 1120610869 /nfs/dbraw/zinc/61/08/69/1120610869.db2.gz HJNQDPKTSBHFQM-AWEZNQCLSA-N 0 1 354.425 4.346 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CCCc3cc(F)ccc3F)[nH]c21 ZINC000762063809 1120681668 /nfs/dbraw/zinc/68/16/68/1120681668.db2.gz KXXAGERLHUIMFL-HNNXBMFYSA-N 0 1 353.372 4.349 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccc4[nH]cnc4c3)n2)cc1 ZINC000915102105 1120811943 /nfs/dbraw/zinc/81/19/43/1120811943.db2.gz RQASGSUNSPBQEF-HNNXBMFYSA-N 0 1 358.426 4.485 20 30 FIEDMN COc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1OC(F)F ZINC000193613548 1120982135 /nfs/dbraw/zinc/98/21/35/1120982135.db2.gz MTTASBSZGGADKU-UHFFFAOYSA-N 0 1 358.388 4.333 20 30 FIEDMN Cc1ccc(C=Cc2n[nH]c(SCCCOc3ccc(C#N)cc3)n2)o1 ZINC000915795570 1121060730 /nfs/dbraw/zinc/06/07/30/1121060730.db2.gz PHTZHGDLQUIDLQ-MDZDMXLPSA-N 0 1 366.446 4.309 20 30 FIEDMN Clc1cccc(N2CCCC2)c1CN=Nc1nncc2ccccc21 ZINC000763346305 1121343332 /nfs/dbraw/zinc/34/33/32/1121343332.db2.gz PCLCYSUETUMSCY-UHFFFAOYSA-N 0 1 351.841 4.329 20 30 FIEDMN CCCCCC[C@H](C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000915887043 1121346863 /nfs/dbraw/zinc/34/68/63/1121346863.db2.gz NARBOTALXPSRAM-IBGZPJMESA-N 0 1 370.541 4.134 20 30 FIEDMN CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915917607 1121348187 /nfs/dbraw/zinc/34/81/87/1121348187.db2.gz IBMAOHPFKVNFDY-UHFFFAOYSA-N 0 1 358.707 4.498 20 30 FIEDMN Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNc1cc(C)nc(C)n1 ZINC000915967504 1121356095 /nfs/dbraw/zinc/35/60/95/1121356095.db2.gz DWIKHEABHCGEFT-UHFFFAOYSA-N 0 1 368.872 4.054 20 30 FIEDMN Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CN=Nc1cc(C)nc(C)n1 ZINC000915970452 1121357726 /nfs/dbraw/zinc/35/77/26/1121357726.db2.gz CTHXBPQXAYTROS-UHFFFAOYSA-N 0 1 368.872 4.304 20 30 FIEDMN CC(=O)N(c1nc(C=N[N-]c2cccc[nH+]2)cs1)c1cccc(Cl)c1 ZINC000916275990 1121461865 /nfs/dbraw/zinc/46/18/65/1121461865.db2.gz DXIWMINIDUHVOB-UHFFFAOYSA-N 0 1 371.853 4.322 20 30 FIEDMN N#CCCn1cc(C=NN=c2ccc3ccccc3[nH]2)c(-c2ccccc2)n1 ZINC000916285764 1121463136 /nfs/dbraw/zinc/46/31/36/1121463136.db2.gz GKLNSRNWXNUIAI-UHFFFAOYSA-N 0 1 366.428 4.458 20 30 FIEDMN Cc1nn(-c2ccccc2)c(Cl)c1C=NN=c1nc[nH]c2sccc21 ZINC000916367925 1121481881 /nfs/dbraw/zinc/48/18/81/1121481881.db2.gz CNDNUCASDOMPBW-UHFFFAOYSA-N 0 1 368.853 4.285 20 30 FIEDMN Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1ncnc2sccc21 ZINC000916367925 1121481885 /nfs/dbraw/zinc/48/18/85/1121481885.db2.gz CNDNUCASDOMPBW-UHFFFAOYSA-N 0 1 368.853 4.285 20 30 FIEDMN N#Cc1ccc([C@H](O)CN(Cc2c(F)cccc2F)C2CCCC2)cc1 ZINC000763401830 1121573864 /nfs/dbraw/zinc/57/38/64/1121573864.db2.gz DGKJLIDNWBQDOZ-OAQYLSRUSA-N 0 1 356.416 4.315 20 30 FIEDMN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000916894882 1121923907 /nfs/dbraw/zinc/92/39/07/1121923907.db2.gz BKJDJRKYOSWGSF-VQIMIIECSA-N 0 1 370.493 4.044 20 30 FIEDMN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000916895420 1121924082 /nfs/dbraw/zinc/92/40/82/1121924082.db2.gz JSZOLZXNAOMMAT-APWZRJJASA-N 0 1 370.493 4.044 20 30 FIEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000916913612 1121933292 /nfs/dbraw/zinc/93/32/92/1121933292.db2.gz XWIKVWWFBOZZDU-TUAOUCFPSA-N 0 1 372.774 4.356 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000126233856 1121938226 /nfs/dbraw/zinc/93/82/26/1121938226.db2.gz UUXZLSBFAHQUCA-CABCVRRESA-N 0 1 373.859 4.465 20 30 FIEDMN COCc1cccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544730 1122072452 /nfs/dbraw/zinc/07/24/52/1122072452.db2.gz RTOJSIAJMHPIOW-SFHVURJKSA-N 0 1 373.437 4.318 20 30 FIEDMN Cc1[nH]ncc1CCCNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000153566528 1122131123 /nfs/dbraw/zinc/13/11/23/1122131123.db2.gz RWMDWEXVNLDWEU-UHFFFAOYSA-N 0 1 374.444 4.053 20 30 FIEDMN C=CC[N@H+](Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)C(C)C ZINC000917167837 1122213575 /nfs/dbraw/zinc/21/35/75/1122213575.db2.gz CNWSVQICROWORJ-UHFFFAOYSA-N 0 1 369.490 4.057 20 30 FIEDMN CC(C)Oc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000056157020 1122296190 /nfs/dbraw/zinc/29/61/90/1122296190.db2.gz GHIPNJDBGSVBNJ-HZPDHXFCSA-N 0 1 351.450 4.023 20 30 FIEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1cc(-c2ccccc2)cs1 ZINC000917541418 1122347997 /nfs/dbraw/zinc/34/79/97/1122347997.db2.gz YIPSCBISFHJLCC-UHFFFAOYSA-N 0 1 363.467 4.296 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)c1sccc1C#N)c1ccccc1Cl ZINC000497979320 1122497296 /nfs/dbraw/zinc/49/72/96/1122497296.db2.gz DALMCTNEGDPJBQ-MRXNPFEDSA-N 0 1 361.898 4.086 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(OC(F)F)c(F)c2)n1 ZINC000498061287 1122538218 /nfs/dbraw/zinc/53/82/18/1122538218.db2.gz LZQUIQOTUNHANZ-JTQLQIEISA-N 0 1 354.353 4.497 20 30 FIEDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1cccc(OCCCC#N)c1 ZINC000131157992 1122993332 /nfs/dbraw/zinc/99/33/32/1122993332.db2.gz YKUSCCRLYMHPDP-MRXNPFEDSA-N 0 1 354.498 4.480 20 30 FIEDMN CCOC(=O)[C@@H](Cc1ccccc1)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000920174042 1123403554 /nfs/dbraw/zinc/40/35/54/1123403554.db2.gz JDJDYQOYVRKTIJ-BTZNOAQDSA-N 0 1 366.244 4.292 20 30 FIEDMN Cn1cc(C=NNc2nc3ccccc3[nH]2)c(-c2cc3ccccc3o2)n1 ZINC000920362131 1123447252 /nfs/dbraw/zinc/44/72/52/1123447252.db2.gz NEUPFHVUCZOYBG-UHFFFAOYSA-N 0 1 356.389 4.156 20 30 FIEDMN CC(C)CO[C@@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000920805099 1123522455 /nfs/dbraw/zinc/52/24/55/1123522455.db2.gz GZMDDUWOFKRUPB-NWDGAFQWSA-N 0 1 364.417 4.326 20 30 FIEDMN O=C(NCc1ccc(F)cc1C(F)(F)F)C(F)(F)c1ccc(F)cc1 ZINC000920844346 1123527915 /nfs/dbraw/zinc/52/79/15/1123527915.db2.gz ZTGAWFMVILRAPF-UHFFFAOYSA-N 0 1 365.248 4.392 20 30 FIEDMN COc1cc(C(C)=NNc2cccc(Cl)c2F)cc(OC)c1OC ZINC000921137899 1123569344 /nfs/dbraw/zinc/56/93/44/1123569344.db2.gz SMDXOIRELDWBFJ-UHFFFAOYSA-N 0 1 352.793 4.341 20 30 FIEDMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000609382336 1123697329 /nfs/dbraw/zinc/69/73/29/1123697329.db2.gz BHBUCXXLHLPARQ-ZDUSSCGKSA-N 0 1 350.447 4.375 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](c3ccco3)C2)c1 ZINC000609540165 1123747697 /nfs/dbraw/zinc/74/76/97/1123747697.db2.gz RUFKATULSVDFRJ-MOPGFXCFSA-N 0 1 365.477 4.021 20 30 FIEDMN C=CCOCCCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000079651431 1123913185 /nfs/dbraw/zinc/91/31/85/1123913185.db2.gz RJCYJHLTVCAVEF-UHFFFAOYSA-N 0 1 362.433 4.060 20 30 FIEDMN Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000237598255 1123993900 /nfs/dbraw/zinc/99/39/00/1123993900.db2.gz OSJMWADQFPJAIT-QGZVFWFLSA-N 0 1 374.488 4.129 20 30 FIEDMN C=CCN(CCC(=O)Nc1cc(N)ccc1F)Cc1ccc(Cl)s1 ZINC000081645539 1124112308 /nfs/dbraw/zinc/11/23/08/1124112308.db2.gz IVLKLQOKJOXCQU-UHFFFAOYSA-N 0 1 367.877 4.140 20 30 FIEDMN N#Cc1ccc(NC[C@@H](c2ccccc2)N2CCc3sccc3C2)nc1 ZINC000301064162 1124187863 /nfs/dbraw/zinc/18/78/63/1124187863.db2.gz CBWIFXBNFVHLLL-IBGZPJMESA-N 0 1 360.486 4.226 20 30 FIEDMN C[C@H](N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(C#N)c1 ZINC000542776541 1124253861 /nfs/dbraw/zinc/25/38/61/1124253861.db2.gz LZSIABFZWIODDH-KPZWWZAWSA-N 0 1 374.271 4.321 20 30 FIEDMN N#Cc1cccc(Oc2ccc(NC(=O)Cc3n[nH]c4ccccc43)cc2)c1 ZINC000108996420 1124430008 /nfs/dbraw/zinc/43/00/08/1124430008.db2.gz PLUQVRKFQLVQNC-UHFFFAOYSA-N 0 1 368.396 4.408 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000542883700 1124747746 /nfs/dbraw/zinc/74/77/46/1124747746.db2.gz NTGAEZSHOCFGIJ-FVJLSDCUSA-N 0 1 371.550 4.389 20 30 FIEDMN C[C@H](C1CC1)N(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000075636846 1124910559 /nfs/dbraw/zinc/91/05/59/1124910559.db2.gz QWPHVBNAHCHDPY-MRXNPFEDSA-N 0 1 358.445 4.409 20 30 FIEDMN C[C@]1(c2ccccc2)CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075743297 1124919654 /nfs/dbraw/zinc/91/96/54/1124919654.db2.gz AWQLZZTYKLXPIP-QFIPXVFZSA-N 0 1 358.445 4.162 20 30 FIEDMN Cc1nn(C(C)(C)C)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000181499505 1124976167 /nfs/dbraw/zinc/97/61/67/1124976167.db2.gz XTAUKCWVWRNEEP-LBPRGKRZSA-N 0 1 371.391 4.181 20 30 FIEDMN Cc1nn(C(C)(C)C)cc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000181499505 1124976174 /nfs/dbraw/zinc/97/61/74/1124976174.db2.gz XTAUKCWVWRNEEP-LBPRGKRZSA-N 0 1 371.391 4.181 20 30 FIEDMN Cc1n[nH]c(C)c1[C@@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091080583 1125039559 /nfs/dbraw/zinc/03/95/59/1125039559.db2.gz IGDMVZJUELIFKD-KRWDZBQOSA-N 0 1 363.383 4.114 20 30 FIEDMN COc1ccccc1[C@@H](CC(C)C)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000181706850 1125111134 /nfs/dbraw/zinc/11/11/34/1125111134.db2.gz QMSRWMWDFAUBEL-GOSISDBHSA-N 0 1 369.465 4.092 20 30 FIEDMN Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000181754481 1125130754 /nfs/dbraw/zinc/13/07/54/1125130754.db2.gz SRBARPPLFHGFMF-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@H](N[C@@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618803772 1125284478 /nfs/dbraw/zinc/28/44/78/1125284478.db2.gz IQVTUKXYULCZAN-QZTJIDSGSA-N 0 1 364.445 4.291 20 30 FIEDMN N#C[C@@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC000041555603 211773368 /nfs/dbraw/zinc/77/33/68/211773368.db2.gz KJOAFUSUPWBLEA-LLVKDONJSA-N 0 1 369.686 4.152 20 30 FIEDMN N#CC(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC000041555603 211773373 /nfs/dbraw/zinc/77/33/73/211773373.db2.gz KJOAFUSUPWBLEA-LLVKDONJSA-N 0 1 369.686 4.152 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000096966981 222146926 /nfs/dbraw/zinc/14/69/26/222146926.db2.gz VQWSTJFWADYILR-JKSUJKDBSA-N 0 1 355.869 4.326 20 30 FIEDMN Cc1[nH]n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1CCC#N ZINC000601940091 567881387 /nfs/dbraw/zinc/88/13/87/567881387.db2.gz RHOYRAIUNNXRKZ-GFCCVEGCSA-N 0 1 363.261 4.367 20 30 FIEDMN Cc1oc(NC(=O)CN[C@@H](C)c2ccc(Cl)c(Cl)c2)c(C#N)c1C ZINC000120358517 567901555 /nfs/dbraw/zinc/90/15/55/567901555.db2.gz BLEYRKZLYMLBFS-JTQLQIEISA-N 0 1 366.248 4.364 20 30 FIEDMN CC(=O)N(c1nc(CNCCCCC#N)cs1)c1cccc(Cl)c1 ZINC000602538905 567992712 /nfs/dbraw/zinc/99/27/12/567992712.db2.gz DTGNJHBFPXGNJV-UHFFFAOYSA-N 0 1 362.886 4.265 20 30 FIEDMN C=CCC[C@@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000602807163 568048693 /nfs/dbraw/zinc/04/86/93/568048693.db2.gz VUFDJUBCJMYIKU-OAHLLOKOSA-N 0 1 368.359 4.144 20 30 FIEDMN CCCC[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000568637498 568103328 /nfs/dbraw/zinc/10/33/28/568103328.db2.gz PXMDUUGQUVCEAX-IBGZPJMESA-N 0 1 353.422 4.496 20 30 FIEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000603853525 568167210 /nfs/dbraw/zinc/16/72/10/568167210.db2.gz BGQJMMYRTJPLAF-UGKGYDQZSA-N 0 1 355.526 4.175 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4c(C#N)nnc5ccccc54)C3)[nH]c2c1 ZINC000541989769 568320218 /nfs/dbraw/zinc/32/02/18/568320218.db2.gz VRKVCBUQGPZPFN-OAHLLOKOSA-N 0 1 368.444 4.070 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4c(F)cc(C#N)cc4F)C3)[nH]c2c1 ZINC000570014807 568440698 /nfs/dbraw/zinc/44/06/98/568440698.db2.gz JTLOTZJJMZUGBQ-AWEZNQCLSA-N 0 1 352.388 4.405 20 30 FIEDMN N#Cc1ncc(Br)cc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210924977 1081851245 /nfs/dbraw/zinc/85/12/45/1081851245.db2.gz ZQLGBCDUPRAQHH-UHFFFAOYSA-N 0 1 359.010 4.472 20 30 FIEDMN COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000619755825 1125682355 /nfs/dbraw/zinc/68/23/55/1125682355.db2.gz VEHQWJOTOHLGIC-GFCCVEGCSA-N 0 1 357.841 4.029 20 30 FIEDMN CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccn1C ZINC000572568559 1125753587 /nfs/dbraw/zinc/75/35/87/1125753587.db2.gz ZCYJJRIIRDSNRS-MRXNPFEDSA-N 0 1 360.442 4.073 20 30 FIEDMN CCc1c(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccn1C ZINC000572568559 1125753592 /nfs/dbraw/zinc/75/35/92/1125753592.db2.gz ZCYJJRIIRDSNRS-MRXNPFEDSA-N 0 1 360.442 4.073 20 30 FIEDMN N#Cc1ccc(CCC(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000145823621 1079571583 /nfs/dbraw/zinc/57/15/83/1079571583.db2.gz AVOVIIDIKXDNOK-UHFFFAOYSA-N 0 1 367.412 4.068 20 30 FIEDMN C#CCOc1ccc([C@@H](C)N[C@@H]2CCOc3ccc(OCC)cc32)cc1 ZINC000186695635 1079576621 /nfs/dbraw/zinc/57/66/21/1079576621.db2.gz XYPCWEVGLIXJQS-IIBYNOLFSA-N 0 1 351.446 4.272 20 30 FIEDMN N#CC(C(=O)c1ccn(-c2cccc(F)c2)n1)c1ccc2ccccc2n1 ZINC000620058248 1125766602 /nfs/dbraw/zinc/76/66/02/1125766602.db2.gz ZOEDDBNGDMDUSR-KRWDZBQOSA-N 0 1 356.360 4.050 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C#N)cc2)c(Cl)cc1F ZINC000471137900 1079815813 /nfs/dbraw/zinc/81/58/13/1079815813.db2.gz XAOWMKLKBWCMJB-UHFFFAOYSA-N 0 1 366.845 4.390 20 30 FIEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2CC(F)(F)F)c1 ZINC000187002267 1079851322 /nfs/dbraw/zinc/85/13/22/1079851322.db2.gz QBRBANJCUIWILI-UHFFFAOYSA-N 0 1 374.771 4.117 20 30 FIEDMN COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F ZINC000015036108 1080092866 /nfs/dbraw/zinc/09/28/66/1080092866.db2.gz JFXNIZNSWHFNEZ-UHFFFAOYSA-N 0 1 358.388 4.333 20 30 FIEDMN COc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F ZINC000015036108 1080092877 /nfs/dbraw/zinc/09/28/77/1080092877.db2.gz JFXNIZNSWHFNEZ-UHFFFAOYSA-N 0 1 358.388 4.333 20 30 FIEDMN FC(F)(F)[C@@H]1CCN(CCOCC(F)(F)C(F)(F)F)CC12CCC2 ZINC000579862971 1080186384 /nfs/dbraw/zinc/18/63/84/1080186384.db2.gz ZBXHVMIIGAVNGQ-SNVBAGLBSA-N 0 1 369.296 4.255 20 30 FIEDMN CC(=O)c1cccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000543986091 1080567393 /nfs/dbraw/zinc/56/73/93/1080567393.db2.gz IVMADVRNZWFPHP-CQSZACIVSA-N 0 1 353.328 4.124 20 30 FIEDMN CC(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000543986091 1080567399 /nfs/dbraw/zinc/56/73/99/1080567399.db2.gz IVMADVRNZWFPHP-CQSZACIVSA-N 0 1 353.328 4.124 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cnn4c3CCCC4)n2)cc1 ZINC000533545904 1080581725 /nfs/dbraw/zinc/58/17/25/1080581725.db2.gz FZWKZCDCFPRFKQ-OAHLLOKOSA-N 0 1 362.458 4.141 20 30 FIEDMN C=CCCCCCCCCN1CCN(CC(=O)N(C)c2ccccc2)CC1 ZINC001209446411 1080710474 /nfs/dbraw/zinc/71/04/74/1080710474.db2.gz YAZMQVSONWXDMH-UHFFFAOYSA-N 0 1 371.569 4.184 20 30 FIEDMN CCOc1ccc(NC(=O)CN(Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC001167240694 1080897400 /nfs/dbraw/zinc/89/74/00/1080897400.db2.gz KJQBXXWTGMZCJO-UHFFFAOYSA-N 0 1 365.477 4.054 20 30 FIEDMN COc1cc([C@H](C)NCC#Cc2cccc(Cl)c2)cc(OC)c1OC ZINC000538123768 1081330901 /nfs/dbraw/zinc/33/09/01/1081330901.db2.gz BVGCLPHNKJQYPS-AWEZNQCLSA-N 0 1 359.853 4.068 20 30 FIEDMN CC(C)N(C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000063582709 1081525250 /nfs/dbraw/zinc/52/52/50/1081525250.db2.gz LXSBRAKYEHSXLP-UHFFFAOYSA-N 0 1 357.841 4.283 20 30 FIEDMN C[C@H](NCC(=O)Nc1nc(-c2cccs2)cs1)c1ccc(C#N)cc1 ZINC000560981443 1081601161 /nfs/dbraw/zinc/60/11/61/1081601161.db2.gz UUUKSDDESXPDME-LBPRGKRZSA-N 0 1 368.487 4.033 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C3=CCCC3)cc2)n1 ZINC000581163781 1082353518 /nfs/dbraw/zinc/35/35/18/1082353518.db2.gz WTACIDKGFBCFQI-MRXNPFEDSA-N 0 1 366.442 4.377 20 30 FIEDMN N#CC(C(=O)c1coc2c1C(=O)CCC2)c1nc2ccccc2n1C(F)F ZINC000581173745 1082358029 /nfs/dbraw/zinc/35/80/29/1082358029.db2.gz KCXDNUHXTKSLRV-JTQLQIEISA-N 0 1 369.327 4.033 20 30 FIEDMN CC(=O)Nc1ccc(C)c(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430587245 1082532773 /nfs/dbraw/zinc/53/27/73/1082532773.db2.gz YQJHFDHBIKNUQO-OAHLLOKOSA-N 0 1 355.463 4.198 20 30 FIEDMN CC(=O)Nc1ccc(C)c(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430587245 1082532776 /nfs/dbraw/zinc/53/27/76/1082532776.db2.gz YQJHFDHBIKNUQO-OAHLLOKOSA-N 0 1 355.463 4.198 20 30 FIEDMN Cc1oc(NC(=O)CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c(C#N)c1C ZINC000097079422 1082709293 /nfs/dbraw/zinc/70/92/93/1082709293.db2.gz SYSORXUQNHTKRD-SFHVURJKSA-N 0 1 357.429 4.223 20 30 FIEDMN C=CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000656759437 1082752479 /nfs/dbraw/zinc/75/24/79/1082752479.db2.gz GEUAZEKMVFXYOH-NHYWBVRUSA-N 0 1 356.235 4.002 20 30 FIEDMN C=CCC[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccco1 ZINC000276433894 1082763535 /nfs/dbraw/zinc/76/35/35/1082763535.db2.gz JICNDVPICDNPRL-UYAOXDASSA-N 0 1 354.450 4.194 20 30 FIEDMN CCN(C)C(=O)c1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430629590 1082766241 /nfs/dbraw/zinc/76/62/41/1082766241.db2.gz OWVMARHMKRBJPI-OAHLLOKOSA-N 0 1 369.490 4.023 20 30 FIEDMN C=C[C@H](CC)CC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001266812589 1082858881 /nfs/dbraw/zinc/85/88/81/1082858881.db2.gz QHSZETJRRSJNTK-WTANOLMUSA-N 0 1 352.881 4.190 20 30 FIEDMN CC(C)NC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)c1 ZINC000647377186 1083365027 /nfs/dbraw/zinc/36/50/27/1083365027.db2.gz WBAUCOUWZDZLQD-HNNXBMFYSA-N 0 1 368.462 4.040 20 30 FIEDMN CC(C)NC(=O)Nc1cccc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377186 1083365035 /nfs/dbraw/zinc/36/50/35/1083365035.db2.gz WBAUCOUWZDZLQD-HNNXBMFYSA-N 0 1 368.462 4.040 20 30 FIEDMN Cc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)s1 ZINC000179374111 1083435032 /nfs/dbraw/zinc/43/50/32/1083435032.db2.gz YRXSADRDGARIES-NEPJUHHUSA-N 0 1 373.547 4.465 20 30 FIEDMN CN(C)Cc1ccc(CNc2c(C#N)cnc3c(F)cc(F)cc32)cc1F ZINC000535691841 1083581812 /nfs/dbraw/zinc/58/18/12/1083581812.db2.gz OFTJAEJMIGIHKH-UHFFFAOYSA-N 0 1 370.378 4.197 20 30 FIEDMN Cc1cc(N[C@@H](C)c2n[nH]c(C(C)C)n2)n2c3ccccc3nc2c1C#N ZINC000535691707 1083582308 /nfs/dbraw/zinc/58/23/08/1083582308.db2.gz KHRJEWZAGRZVLT-ZDUSSCGKSA-N 0 1 359.437 4.082 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(OC(C)C)c2)c(C#N)c1C ZINC000179680571 1083596589 /nfs/dbraw/zinc/59/65/89/1083596589.db2.gz DWLBCFNDGFEZHC-LSDHHAIUSA-N 0 1 369.465 4.233 20 30 FIEDMN CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000179748644 1083615654 /nfs/dbraw/zinc/61/56/54/1083615654.db2.gz QBIFQDKOCQBTPA-QGZVFWFLSA-N 0 1 371.506 4.315 20 30 FIEDMN C=CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065866408 1083705504 /nfs/dbraw/zinc/70/55/04/1083705504.db2.gz SNJPROAGRXGJDP-NRFANRHFSA-N 0 1 366.480 4.253 20 30 FIEDMN Cc1noc(C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)c2ccccc2)n1 ZINC000277059183 1083727921 /nfs/dbraw/zinc/72/79/21/1083727921.db2.gz HXOBVOBUZFMRNX-BFUOFWGJSA-N 0 1 350.397 4.023 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1cccc(C#N)c1 ZINC000610830343 1083744848 /nfs/dbraw/zinc/74/48/48/1083744848.db2.gz NJLPJXLSCKCLSL-KGLIPLIRSA-N 0 1 351.841 4.204 20 30 FIEDMN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)s1 ZINC000535848756 1083804177 /nfs/dbraw/zinc/80/41/77/1083804177.db2.gz VMJANHZBCXATNL-KKSFZXQISA-N 0 1 368.550 4.056 20 30 FIEDMN C[C@H](NCC(=O)N(Cc1ccco1)c1ccccc1)c1ccc(C#N)cc1 ZINC000548935887 1083865681 /nfs/dbraw/zinc/86/56/81/1083865681.db2.gz ATPCLFDYMQZOQE-KRWDZBQOSA-N 0 1 359.429 4.035 20 30 FIEDMN Cn1cc(CN2CCSC[C@@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000179918623 1083891154 /nfs/dbraw/zinc/89/11/54/1083891154.db2.gz BLTDQXUMBRLASL-OAQYLSRUSA-N 0 1 374.513 4.249 20 30 FIEDMN Cc1oc(NC(=O)CNC(C)(C)c2ccc(C(C)C)cc2)c(C#N)c1C ZINC000610988072 1083930099 /nfs/dbraw/zinc/93/00/99/1083930099.db2.gz RERKDBFQIKERHY-UHFFFAOYSA-N 0 1 353.466 4.355 20 30 FIEDMN C=CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000413835727 1083938906 /nfs/dbraw/zinc/93/89/06/1083938906.db2.gz NVPHZAGFOFCBCJ-QGZVFWFLSA-N 0 1 354.498 4.036 20 30 FIEDMN COc1ccc(CN(C)Cc2cccc(OC(F)(F)F)c2)cc1C#N ZINC000610993778 1083941031 /nfs/dbraw/zinc/94/10/31/1083941031.db2.gz ATNBTDZMHGYTNG-UHFFFAOYSA-N 0 1 350.340 4.097 20 30 FIEDMN CN(Cc1ccnc(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000610992868 1083941629 /nfs/dbraw/zinc/94/16/29/1083941629.db2.gz OXTNFYBDELQLDG-MRXNPFEDSA-N 0 1 374.307 4.385 20 30 FIEDMN C=CCOCCCC(=O)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1 ZINC001625873500 1084146146 /nfs/dbraw/zinc/14/61/46/1084146146.db2.gz AJJOWKKSMLXVHN-UHFFFAOYSA-N 0 1 370.415 4.223 20 30 FIEDMN COc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)ccc1OCC(F)(F)F ZINC000728439229 1084161965 /nfs/dbraw/zinc/16/19/65/1084161965.db2.gz YNCHIBSUUXARHR-DJWKRKHSSA-N 0 1 370.298 4.377 20 30 FIEDMN CCOc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)ccc1OC(F)F ZINC000728438485 1084171435 /nfs/dbraw/zinc/17/14/35/1084171435.db2.gz GFSOGIBRSHJUDZ-UTCJRWHESA-N 0 1 352.308 4.428 20 30 FIEDMN Cc1cc(-c2noc(-c3cc4ccccc4n3CC#N)n2)cc2nc[nH]c21 ZINC000612946941 1084219398 /nfs/dbraw/zinc/21/93/98/1084219398.db2.gz YLTDBXQEAMNUFD-UHFFFAOYSA-N 0 1 354.373 4.067 20 30 FIEDMN CC(C)CN1Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)c2C1 ZINC000579928974 1084300044 /nfs/dbraw/zinc/30/00/44/1084300044.db2.gz GFBLIMDXHGASQF-VQTJNVASSA-N 0 1 359.473 4.272 20 30 FIEDMN N#CC(C(=O)C[C@H]1CCC2(CCC2)CO1)c1nc2ccccc2n1C(F)F ZINC000892537546 1084541867 /nfs/dbraw/zinc/54/18/67/1084541867.db2.gz DYVTYJQHPHAECP-ZIAGYGMSSA-N 0 1 373.403 4.347 20 30 FIEDMN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(C2CC2)c1 ZINC000581648506 1084570228 /nfs/dbraw/zinc/57/02/28/1084570228.db2.gz HWQRXWOAJJXUQF-CYBMUJFWSA-N 0 1 353.853 4.378 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2csc(-c3ccc(Cl)s3)n2)nc(C)n1 ZINC000066506424 1084570493 /nfs/dbraw/zinc/57/04/93/1084570493.db2.gz NVPPGZKLSYQZGK-SNVBAGLBSA-N 0 1 374.878 4.422 20 30 FIEDMN C[C@@H](Oc1ccccc1)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544942 1084638630 /nfs/dbraw/zinc/63/86/30/1084638630.db2.gz LFZWNLWKCPBFKC-KDOFPFPSSA-N 0 1 373.437 4.326 20 30 FIEDMN N#Cc1cccc(CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1F ZINC000539765471 1084660477 /nfs/dbraw/zinc/66/04/77/1084660477.db2.gz HQTYBOTVATUCAH-GOSISDBHSA-N 0 1 367.472 4.243 20 30 FIEDMN N#Cc1ccc2ncc(CN[C@@H]3CCSc4ccc(Cl)cc43)n2c1 ZINC000551798971 1084712996 /nfs/dbraw/zinc/71/29/96/1084712996.db2.gz CRYUKCJTFPBLNZ-MRXNPFEDSA-N 0 1 354.866 4.186 20 30 FIEDMN N#CC(C(=O)C=Cc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)cs1 ZINC000051533228 1084785613 /nfs/dbraw/zinc/78/56/13/1084785613.db2.gz VSWKRHYNFPXYQR-IQIBNGDESA-N 0 1 374.421 4.428 20 30 FIEDMN O=C(Nc1ccccc1C#Cc1ccccc1)c1cc(=O)c2ccccc2[nH]1 ZINC000472205745 1084815692 /nfs/dbraw/zinc/81/56/92/1084815692.db2.gz HOPOHIVQRVFOMD-UHFFFAOYSA-N 0 1 364.404 4.180 20 30 FIEDMN C=C(C)COc1cc(CN[C@H](CCO)c2ccccc2F)ccc1OC ZINC000647249863 1084929902 /nfs/dbraw/zinc/92/99/02/1084929902.db2.gz SFHIJBDEFWKTFI-LJQANCHMSA-N 0 1 359.441 4.003 20 30 FIEDMN Fc1ccc(C#CCN2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000582448942 1085017347 /nfs/dbraw/zinc/01/73/47/1085017347.db2.gz BUALUDWDBUEHQS-UHFFFAOYSA-N 0 1 352.384 4.337 20 30 FIEDMN N#Cc1ccccc1COc1cccc(CN2CCC[C@@H](OC(F)F)C2)c1 ZINC000611608782 1085034560 /nfs/dbraw/zinc/03/45/60/1085034560.db2.gz BLAFGCBQHVTBEQ-HXUWFJFHSA-N 0 1 372.415 4.341 20 30 FIEDMN N#CC(C(=O)Cc1coc2cc3c(cc12)CCC3)c1nc2ccccc2[nH]1 ZINC000048789966 1085224982 /nfs/dbraw/zinc/22/49/82/1085224982.db2.gz JCSVYQROJCOTQD-QGZVFWFLSA-N 0 1 355.397 4.217 20 30 FIEDMN Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)c(C#N)c1C ZINC000128072187 1085363383 /nfs/dbraw/zinc/36/33/83/1085363383.db2.gz PXSQNHTULXBEBU-HNNXBMFYSA-N 0 1 351.450 4.007 20 30 FIEDMN Cc1oc(NC(=O)CN(Cc2ccccc2)[C@@H](C)C2CC2)c(C#N)c1C ZINC000128072187 1085363392 /nfs/dbraw/zinc/36/33/92/1085363392.db2.gz PXSQNHTULXBEBU-HNNXBMFYSA-N 0 1 351.450 4.007 20 30 FIEDMN N#CC(C(=O)C=Cc1ccncn1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000588539175 1085386907 /nfs/dbraw/zinc/38/69/07/1085386907.db2.gz NPJODRIHMBACPF-IYKSTZQJSA-N 0 1 366.833 4.143 20 30 FIEDMN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000661114382 1085395352 /nfs/dbraw/zinc/39/53/52/1085395352.db2.gz GEVJMDBAHKHBSS-ZBFHGGJFSA-N 0 1 356.495 4.015 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccccc2Oc2cnn(C)c2)n1 ZINC000549540614 1085502142 /nfs/dbraw/zinc/50/21/42/1085502142.db2.gz QIGGIQGLKBWJDK-OAHLLOKOSA-N 0 1 366.446 4.282 20 30 FIEDMN CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2Oc2cnn(C)c2)n1 ZINC000549540614 1085502152 /nfs/dbraw/zinc/50/21/52/1085502152.db2.gz QIGGIQGLKBWJDK-OAHLLOKOSA-N 0 1 366.446 4.282 20 30 FIEDMN CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCc2ccccc2C1 ZINC000472249194 1085508892 /nfs/dbraw/zinc/50/88/92/1085508892.db2.gz OTORMMIBXOBUMX-HXUWFJFHSA-N 0 1 371.484 4.227 20 30 FIEDMN C=CCN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C(C)(C)C ZINC000661760420 1085805627 /nfs/dbraw/zinc/80/56/27/1085805627.db2.gz SBXZSGJCXDLEMO-UHFFFAOYSA-N 0 1 371.506 4.225 20 30 FIEDMN CC1(C)CC[C@@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000781765639 1086812436 /nfs/dbraw/zinc/81/24/36/1086812436.db2.gz KNRIGUVSDNDXGF-YGRLFVJLSA-N 0 1 353.249 4.467 20 30 FIEDMN C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(Br)c1C ZINC000512149776 1086838824 /nfs/dbraw/zinc/83/88/24/1086838824.db2.gz SRQSWOJGDAGDGF-UHFFFAOYSA-N 0 1 364.283 4.421 20 30 FIEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(Br)c1C ZINC000512149776 1086838834 /nfs/dbraw/zinc/83/88/34/1086838834.db2.gz SRQSWOJGDAGDGF-UHFFFAOYSA-N 0 1 364.283 4.421 20 30 FIEDMN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000329363308 1086927134 /nfs/dbraw/zinc/92/71/34/1086927134.db2.gz JDFHJYHWWVAULR-RHSMWYFYSA-N 0 1 373.472 4.010 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1c1cccs1 ZINC000052712428 1087063277 /nfs/dbraw/zinc/06/32/77/1087063277.db2.gz DXKSXMGGONCYRV-FUHWJXTLSA-N 0 1 353.491 4.220 20 30 FIEDMN C[C@H]1[C@H](Cc2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000472309569 1087124207 /nfs/dbraw/zinc/12/42/07/1087124207.db2.gz CDTSSQNCBBVWQP-RDJZCZTQSA-N 0 1 367.880 4.103 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000329655613 1087154660 /nfs/dbraw/zinc/15/46/60/1087154660.db2.gz MHQJEPRPZHXYPV-GOSISDBHSA-N 0 1 352.482 4.199 20 30 FIEDMN N#CC(=C(O)C=Cc1ccnc2ccccc12)c1cnc2ccccc2n1 ZINC000588587639 1087178544 /nfs/dbraw/zinc/17/85/44/1087178544.db2.gz WHWLTZGQCZLBCO-DOOKAGJSSA-N 0 1 350.381 4.068 20 30 FIEDMN N#CC(C(=O)C=Cc1ccnc2ccccc12)c1cnc2ccccc2n1 ZINC000588587639 1087178545 /nfs/dbraw/zinc/17/85/45/1087178545.db2.gz WHWLTZGQCZLBCO-DOOKAGJSSA-N 0 1 350.381 4.068 20 30 FIEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1csc2ccccc12 ZINC000052805681 1087178791 /nfs/dbraw/zinc/17/87/91/1087178791.db2.gz MAOVZFHGWUYATB-OAHLLOKOSA-N 0 1 355.507 4.064 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 ZINC000176824487 1087281194 /nfs/dbraw/zinc/28/11/94/1087281194.db2.gz YRDPVFXAIGYANW-UHFFFAOYSA-N 0 1 369.833 4.222 20 30 FIEDMN CC(C)c1nc([C@H]2CCCCN2CC(=O)Nc2ccccc2Cl)n[nH]1 ZINC000329851841 1087527259 /nfs/dbraw/zinc/52/72/59/1087527259.db2.gz RBQUTKAJDRZVBU-OAHLLOKOSA-N 0 1 361.877 4.397 20 30 FIEDMN C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc3cncn3c2C)c1 ZINC001125779056 1087686662 /nfs/dbraw/zinc/68/66/62/1087686662.db2.gz DUZMXARHJFQKTI-UHFFFAOYSA-N 0 1 365.436 4.471 20 30 FIEDMN C=CCCc1ccccc1NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000505017070 1088053152 /nfs/dbraw/zinc/05/31/52/1088053152.db2.gz QGHVQGIBNDZZQZ-UHFFFAOYSA-N 0 1 355.457 4.328 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccccc1C#N ZINC000180888757 1088138872 /nfs/dbraw/zinc/13/88/72/1088138872.db2.gz FPIZGHJSGFDAMP-IRXDYDNUSA-N 0 1 370.456 4.298 20 30 FIEDMN Cc1oc(NC(=O)CN[C@@H](C)c2ccc(-c3ccncc3)cc2)c(C#N)c1C ZINC000180901050 1088151795 /nfs/dbraw/zinc/15/17/95/1088151795.db2.gz FIXYYSGCEWZPJR-HNNXBMFYSA-N 0 1 374.444 4.119 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180958934 1088191772 /nfs/dbraw/zinc/19/17/72/1088191772.db2.gz XMOXPTCNNLLRJT-ZDUSSCGKSA-N 0 1 364.367 4.359 20 30 FIEDMN CC(C)N(CC#Cc1ccc(OC(F)(F)F)cc1)CCc1nccs1 ZINC000513982739 1088607985 /nfs/dbraw/zinc/60/79/85/1088607985.db2.gz HUOXYQTVCZXUAN-UHFFFAOYSA-N 0 1 368.424 4.346 20 30 FIEDMN C=CCOc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(N)cc32)cc1OC ZINC000415022296 1089042911 /nfs/dbraw/zinc/04/29/11/1089042911.db2.gz IYSRIGOAKUNNRU-GOSISDBHSA-N 0 1 368.477 4.234 20 30 FIEDMN CC[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000435414587 1089617765 /nfs/dbraw/zinc/61/77/65/1089617765.db2.gz DPRXVRYVJRLRPY-UYAOXDASSA-N 0 1 365.477 4.365 20 30 FIEDMN N#Cc1ccc(CN2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000514941886 1089648695 /nfs/dbraw/zinc/64/86/95/1089648695.db2.gz JWVUKGLSLNZRIM-MRXNPFEDSA-N 0 1 353.447 4.081 20 30 FIEDMN N#Cc1cccc(NC(=O)C2CCN(Cc3sccc3Cl)CC2)c1 ZINC000549349341 1089886158 /nfs/dbraw/zinc/88/61/58/1089886158.db2.gz YZEVZPDLMYTVKT-UHFFFAOYSA-N 0 1 359.882 4.124 20 30 FIEDMN C[C@H]1CCCc2[nH+]cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)n21 ZINC000651266060 1090081449 /nfs/dbraw/zinc/08/14/49/1090081449.db2.gz AWTLECWFCOTYFA-NWDGAFQWSA-N 0 1 369.375 4.015 20 30 FIEDMN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2Br)C1 ZINC000481136120 1090320018 /nfs/dbraw/zinc/32/00/18/1090320018.db2.gz GCAIDDMHMVUMFK-LSDHHAIUSA-N 0 1 353.329 4.427 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000584581308 1090517924 /nfs/dbraw/zinc/51/79/24/1090517924.db2.gz LLKCAEIUCUFPRG-LJQANCHMSA-N 0 1 372.472 4.049 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CNCc2ccc(F)c(Cl)c2)ccc1OC ZINC000162395291 1090850840 /nfs/dbraw/zinc/85/08/40/1090850840.db2.gz PFRKWAQMXDTMJR-HNNXBMFYSA-N 0 1 362.832 4.458 20 30 FIEDMN C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCC1(C#N)CCC1 ZINC000418143049 1091080540 /nfs/dbraw/zinc/08/05/40/1091080540.db2.gz OKLSWTWZWOEINN-LLVKDONJSA-N 0 1 373.806 4.359 20 30 FIEDMN C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660542097 1091732026 /nfs/dbraw/zinc/73/20/26/1091732026.db2.gz ZXKBGVMTGYHLMX-IBGZPJMESA-N 0 1 374.573 4.127 20 30 FIEDMN N#Cc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1F ZINC000512450334 1092371456 /nfs/dbraw/zinc/37/14/56/1092371456.db2.gz RHPUUGOKILRMON-UHFFFAOYSA-N 0 1 357.860 4.059 20 30 FIEDMN COc1ccc([N+](=O)[O-])cc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000521195542 1092573908 /nfs/dbraw/zinc/57/39/08/1092573908.db2.gz FYYIUSSMQWHFCK-UHFFFAOYSA-N 0 1 353.422 4.133 20 30 FIEDMN CC(C)CN(CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000521196751 1092574336 /nfs/dbraw/zinc/57/43/36/1092574336.db2.gz YGBJEIHKBYOSJK-KRWDZBQOSA-N 0 1 367.468 4.033 20 30 FIEDMN N#C[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)c1c(Cl)cccc1Cl ZINC000521241562 1092599836 /nfs/dbraw/zinc/59/98/36/1092599836.db2.gz RBVKTOMDZHSYSR-CYBMUJFWSA-N 0 1 363.179 4.003 20 30 FIEDMN C=CCOc1ccc(CNCc2c(C)nn(-c3ccc(F)cc3)c2C)cc1 ZINC000512537863 1092675328 /nfs/dbraw/zinc/67/53/28/1092675328.db2.gz ZHCVIDULIRDXIW-UHFFFAOYSA-N 0 1 365.452 4.483 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(F)c(Br)c3)[nH]c21 ZINC000442735480 1092742799 /nfs/dbraw/zinc/74/27/99/1092742799.db2.gz GRNSHQGKDMXXBW-LLVKDONJSA-N 0 1 372.197 4.263 20 30 FIEDMN COc1cc(CN2CC=C(c3c[nH]c4cc(F)ccc43)CC2)ccc1C#N ZINC000442803275 1092775822 /nfs/dbraw/zinc/77/58/22/1092775822.db2.gz SGVJCLLSUJFCAP-UHFFFAOYSA-N 0 1 361.420 4.477 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1O ZINC000442818796 1092788781 /nfs/dbraw/zinc/78/87/81/1092788781.db2.gz IXGBNIRWNMTHAS-UHFFFAOYSA-N 0 1 355.825 4.160 20 30 FIEDMN N#Cc1cc(NC(=O)c2ccc(O)c(Cl)c2)ccc1OC(F)(F)F ZINC000442946012 1092880437 /nfs/dbraw/zinc/88/04/37/1092880437.db2.gz SVLXQKRFPAVXIH-UHFFFAOYSA-N 0 1 356.687 4.068 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccccc2-c2c(F)cccc2F)cc1O ZINC000442992668 1092902132 /nfs/dbraw/zinc/90/21/32/1092902132.db2.gz WKVQSRSOOJICRP-UHFFFAOYSA-N 0 1 350.324 4.461 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)o1 ZINC000432898758 1092914353 /nfs/dbraw/zinc/91/43/53/1092914353.db2.gz SLMDNIVMNYLWOT-UHFFFAOYSA-N 0 1 360.348 4.010 20 30 FIEDMN Cn1c(CN[C@@H]2CCCc3cc(C#N)ccc32)nc2cccc(Cl)c21 ZINC000614159944 1093014603 /nfs/dbraw/zinc/01/46/03/1093014603.db2.gz BLESKQDDCMHHAA-QGZVFWFLSA-N 0 1 350.853 4.266 20 30 FIEDMN C[C@@H](NCc1ccc(COC2CCOCC2)cc1)c1ccc(C#N)cc1F ZINC000512632321 1093038303 /nfs/dbraw/zinc/03/83/03/1093038303.db2.gz ZCISFAXLYIKZHD-MRXNPFEDSA-N 0 1 368.452 4.244 20 30 FIEDMN COc1cc(CN[C@@H](CCCC#N)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000433028117 1093127631 /nfs/dbraw/zinc/12/76/31/1093127631.db2.gz YDCINYRDXINABD-KRWDZBQOSA-N 0 1 357.385 4.267 20 30 FIEDMN C=C(C)CN(CC)CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000522166481 1093133460 /nfs/dbraw/zinc/13/34/60/1093133460.db2.gz ANIPDNFZARTBLN-QFIPXVFZSA-N 0 1 354.469 4.272 20 30 FIEDMN Cc1nc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)s1 ZINC000178707461 1093134564 /nfs/dbraw/zinc/13/45/64/1093134564.db2.gz GXSCICLNBVKKJS-LBPRGKRZSA-N 0 1 368.245 4.028 20 30 FIEDMN C#CCOc1ccccc1CNCc1ccc(OC)c(OC2CCCC2)c1 ZINC000237247871 1093142051 /nfs/dbraw/zinc/14/20/51/1093142051.db2.gz UFTRDFKTUASUPY-UHFFFAOYSA-N 0 1 365.473 4.318 20 30 FIEDMN C[C@H]1C[C@@H]1c1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)o1 ZINC000522197634 1093201862 /nfs/dbraw/zinc/20/18/62/1093201862.db2.gz RGRDDVHACBUQHO-JXFKEZNVSA-N 0 1 360.461 4.470 20 30 FIEDMN Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000512959090 1093606778 /nfs/dbraw/zinc/60/67/78/1093606778.db2.gz TWAWSSOIMQBYQM-UHFFFAOYSA-N 0 1 364.854 4.108 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(COc3ccc(C)nc3)c2)n1 ZINC000114617289 1093659840 /nfs/dbraw/zinc/65/98/40/1093659840.db2.gz ZSAJMSYOMUDTAX-SFHVURJKSA-N 0 1 363.442 4.224 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C3CC3)cc2)c(C#N)c1C ZINC000419331905 1093660856 /nfs/dbraw/zinc/66/08/56/1093660856.db2.gz HJUZAXGVCZXCQJ-KGLIPLIRSA-N 0 1 351.450 4.323 20 30 FIEDMN N#Cc1ccccc1CN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513016322 1093671533 /nfs/dbraw/zinc/67/15/33/1093671533.db2.gz HKCIXUMYXWGJEQ-LJQANCHMSA-N 0 1 360.379 4.068 20 30 FIEDMN C[C@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccccc1C#N ZINC000025215937 1093764053 /nfs/dbraw/zinc/76/40/53/1093764053.db2.gz HHLBRKKJJNIMCJ-SJCJKPOMSA-N 0 1 371.893 4.365 20 30 FIEDMN CC(C)c1csc([C@H](C#N)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000474441946 1093788356 /nfs/dbraw/zinc/78/83/56/1093788356.db2.gz SANKFTWIJZSROW-GFCCVEGCSA-N 0 1 354.391 4.146 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000474441946 1093788363 /nfs/dbraw/zinc/78/83/63/1093788363.db2.gz SANKFTWIJZSROW-GFCCVEGCSA-N 0 1 354.391 4.146 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000614386730 1093803740 /nfs/dbraw/zinc/80/37/40/1093803740.db2.gz XDIPXQBELSRWMO-LLVKDONJSA-N 0 1 371.428 4.487 20 30 FIEDMN CC(C)(CCC#N)CNC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000513141599 1093895726 /nfs/dbraw/zinc/89/57/26/1093895726.db2.gz SIRVLGTWDMFXIW-MRXNPFEDSA-N 0 1 373.888 4.393 20 30 FIEDMN N#Cc1ccccc1S(=O)(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000322402218 1093897865 /nfs/dbraw/zinc/89/78/65/1093897865.db2.gz PJQGIMGYYWKAET-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN COc1cc(OC)cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000041535682 1094646641 /nfs/dbraw/zinc/64/66/41/1094646641.db2.gz YLOUXCICRYDMEV-KRWDZBQOSA-N 0 1 364.426 4.317 20 30 FIEDMN O=C(NCC1(Cc2ccccc2)CCCCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329037885 1094720534 /nfs/dbraw/zinc/72/05/34/1094720534.db2.gz NKZAEVMJEGLEGX-QGZVFWFLSA-N 0 1 352.482 4.059 20 30 FIEDMN O=C(NCC1(Cc2ccccc2)CCCCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329037885 1094720545 /nfs/dbraw/zinc/72/05/45/1094720545.db2.gz NKZAEVMJEGLEGX-QGZVFWFLSA-N 0 1 352.482 4.059 20 30 FIEDMN Fc1ccc(C#CCN[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000501528249 1094754649 /nfs/dbraw/zinc/75/46/49/1094754649.db2.gz CFIOSGQBISBURT-KRWDZBQOSA-N 0 1 360.226 4.053 20 30 FIEDMN C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC12CCC2 ZINC000329144487 1094756004 /nfs/dbraw/zinc/75/60/04/1094756004.db2.gz MZJNQGRBRBSLAU-MRXNPFEDSA-N 0 1 369.509 4.122 20 30 FIEDMN CN(CCn1cccn1)C([O-])=[NH+][C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000329184640 1094772060 /nfs/dbraw/zinc/77/20/60/1094772060.db2.gz AFIJOOVOEYCTRC-CRAIPNDOSA-N 0 1 352.482 4.029 20 30 FIEDMN [O-]C(=[NH+]CC1(Cc2ccccc2)CCCC1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000329271240 1094810375 /nfs/dbraw/zinc/81/03/75/1094810375.db2.gz HXODBUZBUHPGEK-IBGZPJMESA-N 0 1 366.509 4.306 20 30 FIEDMN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC[C@H]1Cn1ccnc1 ZINC000329270969 1094811078 /nfs/dbraw/zinc/81/10/78/1094811078.db2.gz HUKUAYFRDHINHR-UXHICEINSA-N 0 1 368.456 4.037 20 30 FIEDMN C[C@H](Nc1cccc(NC(=O)CN2CCCCCC2)c1)[C@H]1CCCOC1 ZINC000329339460 1094848474 /nfs/dbraw/zinc/84/84/74/1094848474.db2.gz NSDRYKVLIQUVFM-ROUUACIJSA-N 0 1 359.514 4.378 20 30 FIEDMN CC(C)(C)c1ccc2c(c1)CN(C([O-])=[NH+]C[C@H]1CCCn3ccnc31)CC2 ZINC000329341113 1094852204 /nfs/dbraw/zinc/85/22/04/1094852204.db2.gz OTNASJMBKYEXCZ-QGZVFWFLSA-N 0 1 366.509 4.030 20 30 FIEDMN C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000329424791 1094899099 /nfs/dbraw/zinc/89/90/99/1094899099.db2.gz GQBZAIBQPQAZAZ-NVXWUHKLSA-N 0 1 373.545 4.319 20 30 FIEDMN Cc1ccc2nc(NC(=O)CN3CCC4(CCOCC4)[C@@H]3C)sc2c1 ZINC000329457772 1094915727 /nfs/dbraw/zinc/91/57/27/1094915727.db2.gz QRTKIKGHPZEKPI-AWEZNQCLSA-N 0 1 359.495 4.084 20 30 FIEDMN O=C(Nc1ncc(C2CCCCC2)s1)N1CCC[C@@H]1Cn1ccnc1 ZINC000329460102 1094920503 /nfs/dbraw/zinc/92/05/03/1094920503.db2.gz PCKKAFLRPQCLHX-OAHLLOKOSA-N 0 1 359.499 4.097 20 30 FIEDMN Cc1cnn([C@H]2CCCN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C2)c1 ZINC000329494295 1094937252 /nfs/dbraw/zinc/93/72/52/1094937252.db2.gz FILCDBLCXYOYDK-AWEZNQCLSA-N 0 1 373.526 4.145 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cc(F)cc2nc[nH]c21 ZINC000329503236 1094942138 /nfs/dbraw/zinc/94/21/38/1094942138.db2.gz KVRRAGZRUCJHKZ-MRXNPFEDSA-N 0 1 367.428 4.396 20 30 FIEDMN Cc1ncc(CN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)s1 ZINC000329574765 1094980201 /nfs/dbraw/zinc/98/02/01/1094980201.db2.gz VJWCOBHXRGJACN-HNNXBMFYSA-N 0 1 373.526 4.332 20 30 FIEDMN C[C@@H](c1cc(F)ccc1F)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502192975 1095204432 /nfs/dbraw/zinc/20/44/32/1095204432.db2.gz GBHOHBIWPZVGRQ-AWEZNQCLSA-N 0 1 369.415 4.248 20 30 FIEDMN Cc1cc(C)cc(NC(=O)CN2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)c1 ZINC000329814557 1095275297 /nfs/dbraw/zinc/27/52/97/1095275297.db2.gz DUYOXNZCMIVNNB-QGZVFWFLSA-N 0 1 355.486 4.360 20 30 FIEDMN Cc1oc2ccccc2c1CC(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 ZINC000329836713 1095286424 /nfs/dbraw/zinc/28/64/24/1095286424.db2.gz MRHJCAIEDGUUPN-QGZVFWFLSA-N 0 1 370.493 4.274 20 30 FIEDMN O=C(NC[C@H]1CCc2[nH+]ccn2C1)N1Cc2ccccc2-c2ccccc2C1 ZINC000329896892 1095307471 /nfs/dbraw/zinc/30/74/71/1095307471.db2.gz CQOUISCUQUYIDN-QGZVFWFLSA-N 0 1 372.472 4.042 20 30 FIEDMN Cc1ccc(NC(=O)[C@@H]2CCCN([C@H](C)C(=O)NC3CCCCC3)C2)nc1 ZINC000329915521 1095313674 /nfs/dbraw/zinc/31/36/74/1095313674.db2.gz PQZLWGDGUMMKFK-IAGOWNOFSA-N 0 1 372.513 4.368 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc2sc(N3CCCC3)nc2s1 ZINC000330034122 1095356815 /nfs/dbraw/zinc/35/68/15/1095356815.db2.gz WDKKQJXHSYMDJB-LLVKDONJSA-N 0 1 373.507 4.063 20 30 FIEDMN C=CCN(CC1CCCCC1)C([O-])=[NH+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000330107541 1095382029 /nfs/dbraw/zinc/38/20/29/1095382029.db2.gz MHELSUOUEMUKDC-IBGZPJMESA-N 0 1 358.530 4.304 20 30 FIEDMN O=C(N[C@@H]1CCCc2sc(Cl)cc21)N[C@@H]1CCCc2cn[nH]c21 ZINC000330238686 1095429404 /nfs/dbraw/zinc/42/94/04/1095429404.db2.gz ZZDVFYSJVQGLSW-VXGBXAGGSA-N 0 1 350.875 4.083 20 30 FIEDMN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cc4c(s3)CCCCCC4)nc21 ZINC000330262930 1095440533 /nfs/dbraw/zinc/44/05/33/1095440533.db2.gz VVYJLWPVKITUIF-AWEZNQCLSA-N 0 1 364.474 4.477 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000330359167 1095562890 /nfs/dbraw/zinc/56/28/90/1095562890.db2.gz VSMUNVNULDDOPQ-SJORKVTESA-N 0 1 360.408 4.207 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Br)c(F)c3)[nH]c21 ZINC000522829195 1095756872 /nfs/dbraw/zinc/75/68/72/1095756872.db2.gz WLXBDKBBCQDUSD-LLVKDONJSA-N 0 1 372.197 4.263 20 30 FIEDMN Cc1cc(C)cc(-c2nnc(NC(=O)c3c(F)cc(C#N)cc3F)s2)c1 ZINC000151776077 1095949749 /nfs/dbraw/zinc/94/97/49/1095949749.db2.gz GYJBRWBRDSQPJY-UHFFFAOYSA-N 0 1 370.384 4.224 20 30 FIEDMN CC1(C#N)CCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000272542032 1096189950 /nfs/dbraw/zinc/18/99/50/1096189950.db2.gz PKJXFSBLYKTDNM-UHFFFAOYSA-N 0 1 371.488 4.119 20 30 FIEDMN Clc1cccc(C#CCN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000503378747 1096380018 /nfs/dbraw/zinc/38/00/18/1096380018.db2.gz UDLOKLVLGMPDIF-GOSISDBHSA-N 0 1 353.897 4.104 20 30 FIEDMN Clc1cccc(C#CCN2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000503378773 1096380487 /nfs/dbraw/zinc/38/04/87/1096380487.db2.gz UDLOKLVLGMPDIF-SFHVURJKSA-N 0 1 353.897 4.104 20 30 FIEDMN CC(C)(C)Oc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000504021597 1096640321 /nfs/dbraw/zinc/64/03/21/1096640321.db2.gz KPURPQZKZFZYJR-UHFFFAOYSA-N 0 1 364.854 4.190 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cccc(C#N)c4C)C3)[nH]c2c1 ZINC000513812361 1096740619 /nfs/dbraw/zinc/74/06/19/1096740619.db2.gz JRHDEMGPTDROBA-QGZVFWFLSA-N 0 1 358.445 4.071 20 30 FIEDMN N#Cc1ccccc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533047083 1098711744 /nfs/dbraw/zinc/71/17/44/1098711744.db2.gz BLVJDRFGEWZXKV-SFHVURJKSA-N 0 1 362.408 4.127 20 30 FIEDMN CCN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@@H](C)c1ccc(C#N)cc1 ZINC000505789615 1098908611 /nfs/dbraw/zinc/90/86/11/1098908611.db2.gz HODJPQDNAMYHNK-DZFGPLHGSA-N 0 1 353.510 4.122 20 30 FIEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000533301479 1098954019 /nfs/dbraw/zinc/95/40/19/1098954019.db2.gz DSURCKYFQIXQCW-AWEZNQCLSA-N 0 1 359.495 4.044 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@@H](c1cccnc1)C1CC1 ZINC000516116236 1099197205 /nfs/dbraw/zinc/19/72/05/1099197205.db2.gz PKNIWKKAIQUTGZ-HXUWFJFHSA-N 0 1 353.491 4.039 20 30 FIEDMN N#Cc1ccc(CN(Cc2cccc(Br)c2)CC2CC2)nc1 ZINC000516191108 1099270219 /nfs/dbraw/zinc/27/02/19/1099270219.db2.gz FRNYPXCDMHVLLT-UHFFFAOYSA-N 0 1 356.267 4.128 20 30 FIEDMN C=CCOc1ccccc1CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000161516546 1099503280 /nfs/dbraw/zinc/50/32/80/1099503280.db2.gz SSEUTQKDYYUPHF-QGZVFWFLSA-N 0 1 350.462 4.229 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000067709351 1099506902 /nfs/dbraw/zinc/50/69/02/1099506902.db2.gz HSUHPMOFXODKCC-KRWDZBQOSA-N 0 1 361.511 4.122 20 30 FIEDMN N#CC(C(=O)c1ccc(Cl)c(F)c1)c1nc(-c2ccncc2)cs1 ZINC000162083137 1099621895 /nfs/dbraw/zinc/62/18/95/1099621895.db2.gz DNLOUWACPLQRDQ-GFCCVEGCSA-N 0 1 357.797 4.488 20 30 FIEDMN Cc1ccc(C)c([C@@H]2CN(CCCC3(C#N)CCOCC3)[C@@H](C)CO2)c1 ZINC000282055512 1099810237 /nfs/dbraw/zinc/81/02/37/1099810237.db2.gz RWVUONCDFQATSI-FPOVZHCZSA-N 0 1 356.510 4.166 20 30 FIEDMN N#Cc1cccc(COc2cccc(CN3CCOCC34CCCC4)c2)c1 ZINC000536710530 1100230302 /nfs/dbraw/zinc/23/03/02/1100230302.db2.gz OQFFMDKJXKFHQK-UHFFFAOYSA-N 0 1 362.473 4.282 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccccc2SC(C)C)n1 ZINC000517278192 1100242840 /nfs/dbraw/zinc/24/28/40/1100242840.db2.gz VLDFZIXXQFROSB-ZDUSSCGKSA-N 0 1 374.487 4.310 20 30 FIEDMN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2SC(C)C)n1 ZINC000517278192 1100242850 /nfs/dbraw/zinc/24/28/50/1100242850.db2.gz VLDFZIXXQFROSB-ZDUSSCGKSA-N 0 1 374.487 4.310 20 30 FIEDMN CC(C)(C#N)CCN1CC[N@H+](CCC(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000459520112 1100268353 /nfs/dbraw/zinc/26/83/53/1100268353.db2.gz SVGNJEMMTHOBGN-FQEVSTJZSA-N 0 1 352.526 4.225 20 30 FIEDMN C=CCN(CCC(=O)Nc1cccc(OC)c1)Cc1ccc(Cl)s1 ZINC000438788414 1100917763 /nfs/dbraw/zinc/91/77/63/1100917763.db2.gz YBJQLPRPNABSPE-UHFFFAOYSA-N 0 1 364.898 4.427 20 30 FIEDMN N#CC(C(=O)c1cc(C2CCCCC2)[nH]n1)c1cc(C(F)(F)F)ccn1 ZINC000518152809 1100950997 /nfs/dbraw/zinc/95/09/97/1100950997.db2.gz BWBCRIDWSKVHFO-ZDUSSCGKSA-N 0 1 362.355 4.361 20 30 FIEDMN N#CC(C(=O)CC1CCCC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126596995 1100964030 /nfs/dbraw/zinc/96/40/30/1100964030.db2.gz LARCYKPUJYQBJO-CQSZACIVSA-N 0 1 352.406 4.229 20 30 FIEDMN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000426255063 1101078222 /nfs/dbraw/zinc/07/82/22/1101078222.db2.gz XIAPYVYAHSLDOB-SJORKVTESA-N 0 1 369.431 4.058 20 30 FIEDMN C=C[C@H]1CCCCN1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000426255060 1101078428 /nfs/dbraw/zinc/07/84/28/1101078428.db2.gz XIAPYVYAHSLDOB-IRXDYDNUSA-N 0 1 369.431 4.058 20 30 FIEDMN CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(C#N)cc3Cl)ccc2NC1=O ZINC000439427739 1101425193 /nfs/dbraw/zinc/42/51/93/1101425193.db2.gz AXKHJFCIYNYHMY-KZULUSFZSA-N 0 1 369.852 4.172 20 30 FIEDMN N#Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000506596529 1101512196 /nfs/dbraw/zinc/51/21/96/1101512196.db2.gz VAXFBUUNPVPSBK-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN CC[C@H](Cc1ccccc1)N(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000426442584 1101603623 /nfs/dbraw/zinc/60/36/23/1101603623.db2.gz LJPIGRQMWSNNJM-QGZVFWFLSA-N 0 1 355.507 4.128 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@H]3CCC[C@@H]32)c1C#N ZINC000426476355 1101715521 /nfs/dbraw/zinc/71/55/21/1101715521.db2.gz RSSHSMIMRBAIEA-XLIONFOSSA-N 0 1 368.525 4.295 20 30 FIEDMN C[C@@H](/N=C/c1cc(Br)cc(Br)c1O)c1ccc[nH]1 ZINC000760229066 1101887958 /nfs/dbraw/zinc/88/79/58/1101887958.db2.gz OERHEONYNRRQEK-RAKXPMKDSA-N 0 1 372.060 4.425 20 30 FIEDMN CCc1ccccc1O[C@@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760352369 1101934936 /nfs/dbraw/zinc/93/49/36/1101934936.db2.gz KVVSNILYFLJLRO-XMSQKQJNSA-N 0 1 357.413 4.036 20 30 FIEDMN N#CC(C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1ccncn1 ZINC000760356305 1101935990 /nfs/dbraw/zinc/93/59/90/1101935990.db2.gz GILSTFWDAFRKHW-GFCCVEGCSA-N 0 1 362.216 4.013 20 30 FIEDMN C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000026226398 1101948295 /nfs/dbraw/zinc/94/82/95/1101948295.db2.gz JQULWUBBRLHCHL-UHFFFAOYSA-N 0 1 362.260 4.326 20 30 FIEDMN C[C@@H](c1ccccc1Cl)N(C[C@@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000519192809 1101987513 /nfs/dbraw/zinc/98/75/13/1101987513.db2.gz RPBJISDPLRXFFJ-MAUKXSAKSA-N 0 1 370.880 4.177 20 30 FIEDMN C[C@@H](OC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000783784551 1102273501 /nfs/dbraw/zinc/27/35/01/1102273501.db2.gz FZWYSZVDXFRION-OXQOHEQNSA-N 0 1 366.436 4.214 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H]1c1cccs1 ZINC000042356213 1102361638 /nfs/dbraw/zinc/36/16/38/1102361638.db2.gz UAWPZZHKWDGFQB-MAUKXSAKSA-N 0 1 371.481 4.359 20 30 FIEDMN CC(C)(C)OC(=O)N1CCc2cccc(CNCc3cccc(C#N)c3)c21 ZINC000133824224 1102367727 /nfs/dbraw/zinc/36/77/27/1102367727.db2.gz CJXXXQQFVHCKDQ-UHFFFAOYSA-N 0 1 363.461 4.146 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccc(Br)c(Cl)c2)n1 ZINC000121299610 1102368113 /nfs/dbraw/zinc/36/81/13/1102368113.db2.gz YRYDNYVIDMVMHM-SECBINFHSA-N 0 1 355.644 4.358 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C(C)C)C2CC2)c1C#N ZINC000532490275 1102429366 /nfs/dbraw/zinc/42/93/66/1102429366.db2.gz WDSPKXWOAFRVLT-UHFFFAOYSA-N 0 1 356.514 4.293 20 30 FIEDMN C=CCCCN(C)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000532579195 1102499908 /nfs/dbraw/zinc/49/99/08/1102499908.db2.gz OJMQKPPZDWBZRN-UHFFFAOYSA-N 0 1 355.507 4.210 20 30 FIEDMN Cc1nc(-c2ccccc2)sc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122209289 1102546288 /nfs/dbraw/zinc/54/62/88/1102546288.db2.gz XANHHGUYXQOIBO-OAHLLOKOSA-N 0 1 372.453 4.495 20 30 FIEDMN N#Cc1cccc(COc2cccc(CNc3ccc4nn[nH]c4c3)c2)c1 ZINC000532606242 1102556811 /nfs/dbraw/zinc/55/68/11/1102556811.db2.gz BWJLWAYZNDWGKF-UHFFFAOYSA-N 0 1 355.401 4.021 20 30 FIEDMN N#Cc1cccc(COc2cccc(CNc3ccc4n[nH]nc4c3)c2)c1 ZINC000532606242 1102556816 /nfs/dbraw/zinc/55/68/16/1102556816.db2.gz BWJLWAYZNDWGKF-UHFFFAOYSA-N 0 1 355.401 4.021 20 30 FIEDMN CCCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000053643541 1102635725 /nfs/dbraw/zinc/63/57/25/1102635725.db2.gz PAVICOFVKLIYDD-BTYIYWSLSA-N 0 1 353.466 4.014 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)cc1O ZINC000476642183 1102656522 /nfs/dbraw/zinc/65/65/22/1102656522.db2.gz ILOJAAVGVFEVLF-UHFFFAOYSA-N 0 1 373.199 4.009 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2csc(-c3ccccc3Cl)n2)nc(C)n1 ZINC000067601372 1102990999 /nfs/dbraw/zinc/99/09/99/1102990999.db2.gz ZGLOPLHRFHWFEX-ZDUSSCGKSA-N 0 1 368.849 4.360 20 30 FIEDMN C=CCc1cc(CNCc2cc3cccc(OC)c3o2)cc(OC)c1OC ZINC000729683180 1103038777 /nfs/dbraw/zinc/03/87/77/1103038777.db2.gz CBZUFLLEYUMMAG-UHFFFAOYSA-N 0 1 367.445 4.477 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(F)c(C)c2)no1 ZINC001211975283 1103130680 /nfs/dbraw/zinc/13/06/80/1103130680.db2.gz BNCFSCOUILAECO-WMZOPIPTSA-N 0 1 361.461 4.262 20 30 FIEDMN N#Cc1cccc(F)c1CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000507142136 1103142545 /nfs/dbraw/zinc/14/25/45/1103142545.db2.gz IJHVSKOACSVVPF-UHFFFAOYSA-N 0 1 360.348 4.015 20 30 FIEDMN COc1cc(CN(C)[C@@H](C)c2ccc(C#N)cc2)c(SC)cc1OC ZINC000152636736 1103247530 /nfs/dbraw/zinc/24/75/30/1103247530.db2.gz PIRXXGFYMHWHDG-AWEZNQCLSA-N 0 1 356.491 4.490 20 30 FIEDMN COc1ccc(CN2CCC(Oc3ccccc3Cl)CC2)cc1C#N ZINC000532828228 1103269932 /nfs/dbraw/zinc/26/99/32/1103269932.db2.gz ZMAVCEXNCJEKHI-UHFFFAOYSA-N 0 1 356.853 4.264 20 30 FIEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCc1cccc2ccccc21 ZINC000507323037 1103301286 /nfs/dbraw/zinc/30/12/86/1103301286.db2.gz YJCBFMVOOSMBBT-GOSISDBHSA-N 0 1 363.505 4.045 20 30 FIEDMN N#Cc1cccc(CN[C@@H]2CCCOc3c(Br)cccc32)c1 ZINC000151378147 1103600043 /nfs/dbraw/zinc/60/00/43/1103600043.db2.gz RPMWYJSZGMHCEN-QGZVFWFLSA-N 0 1 357.251 4.324 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000538224507 1104045900 /nfs/dbraw/zinc/04/59/00/1104045900.db2.gz BEUDYLIXYFBBEH-HOTGVXAUSA-N 0 1 362.489 4.078 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000112532710 1104366539 /nfs/dbraw/zinc/36/65/39/1104366539.db2.gz UOQBLRLLZSDGDF-CVEARBPZSA-N 0 1 369.440 4.029 20 30 FIEDMN C=CC[C@H](C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000188447214 1104472806 /nfs/dbraw/zinc/47/28/06/1104472806.db2.gz LVEDURVDYBUADJ-QFIPXVFZSA-N 0 1 366.480 4.266 20 30 FIEDMN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1CC[C@H](c3ccccc3)[C@@H](C)C1)CCC2 ZINC000328660396 1104527437 /nfs/dbraw/zinc/52/74/37/1104527437.db2.gz VHJIWSOYYAFGES-VDGAXYAQSA-N 0 1 366.509 4.109 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3C[C@H]3c3cccc(Cl)c3)C2)[nH]n1 ZINC000328667898 1104529006 /nfs/dbraw/zinc/52/90/06/1104529006.db2.gz DIICTIUUXKFYML-UWWQBHOKSA-N 0 1 358.873 4.021 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)C3)C2)n[nH]1 ZINC000328719380 1104533784 /nfs/dbraw/zinc/53/37/84/1104533784.db2.gz VNTYXVCRGLOSCJ-RBSFLKMASA-N 0 1 372.435 4.180 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NCC3CC(c4ccccc4)C3)C2)n[nH]1 ZINC000328741138 1104547541 /nfs/dbraw/zinc/54/75/41/1104547541.db2.gz MEFLYQGCFMXVDH-CUYAVPTFSA-N 0 1 352.482 4.005 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)NCC3CC(c4ccccc4)C3)C2)n[nH]1 ZINC000328741136 1104547763 /nfs/dbraw/zinc/54/77/63/1104547763.db2.gz MEFLYQGCFMXVDH-AVAKVYKDSA-N 0 1 352.482 4.005 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CC[C@@H](c4ccc(F)cc4)C3)C2)[nH]n1 ZINC000328754316 1104550532 /nfs/dbraw/zinc/55/05/32/1104550532.db2.gz SLXCRAMQUCZSMV-ZHALLVOQSA-N 0 1 370.472 4.287 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)C2)[nH]n1 ZINC000328754316 1104550541 /nfs/dbraw/zinc/55/05/41/1104550541.db2.gz SLXCRAMQUCZSMV-ZHALLVOQSA-N 0 1 370.472 4.287 20 30 FIEDMN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000328812357 1104562608 /nfs/dbraw/zinc/56/26/08/1104562608.db2.gz MZKWLGOKSBUGPT-BMIGLBTASA-N 0 1 367.280 4.229 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)NCc3csc4ccccc34)C2)n[nH]1 ZINC000328822248 1104565274 /nfs/dbraw/zinc/56/52/74/1104565274.db2.gz RLGAHGVUCUWXHP-AWEZNQCLSA-N 0 1 354.479 4.226 20 30 FIEDMN O=C(Nc1cccc(CSC2CCCC2)c1)[C@@H]1CCc2[nH]nnc2C1 ZINC000328988888 1104612186 /nfs/dbraw/zinc/61/21/86/1104612186.db2.gz CMJWZSMUXCZOLK-CQSZACIVSA-N 0 1 356.495 4.374 20 30 FIEDMN O=C(Nc1cccc(CSC2CCCC2)c1)[C@@H]1CCc2nn[nH]c2C1 ZINC000328988888 1104612192 /nfs/dbraw/zinc/61/21/92/1104612192.db2.gz CMJWZSMUXCZOLK-CQSZACIVSA-N 0 1 356.495 4.374 20 30 FIEDMN [O-]C(N[C@@H]1CCc2ccccc21)=[NH+][C@H]1c2ccccc2CC12CCOCC2 ZINC000329738488 1104617304 /nfs/dbraw/zinc/61/73/04/1104617304.db2.gz UINJGSKONQNRGE-RTWAWAEBSA-N 0 1 362.473 4.272 20 30 FIEDMN [O-]C(N[C@H]1c2ccccc2CC12CCOCC2)=[NH+][C@@H]1CCc2ccccc21 ZINC000329738488 1104617309 /nfs/dbraw/zinc/61/73/09/1104617309.db2.gz UINJGSKONQNRGE-RTWAWAEBSA-N 0 1 362.473 4.272 20 30 FIEDMN C=CC[C@H](C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1ccccc1 ZINC000188940073 1104770980 /nfs/dbraw/zinc/77/09/80/1104770980.db2.gz YNODTOPDNDRSBK-PMACEKPBSA-N 0 1 352.478 4.201 20 30 FIEDMN N#CC1(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CCCCC1 ZINC000441532181 1104973192 /nfs/dbraw/zinc/97/31/92/1104973192.db2.gz VPKBIQULLIKUGE-INIZCTEOSA-N 0 1 356.857 4.354 20 30 FIEDMN Cc1cc(C2CCN(Cc3ccnc(C#N)c3)CC2)ccc1Br ZINC000614605515 1105023424 /nfs/dbraw/zinc/02/34/24/1105023424.db2.gz WKENAZUUQPXPDY-UHFFFAOYSA-N 0 1 370.294 4.404 20 30 FIEDMN CC(C)(C)OC(=O)Nc1ccsc1CNCc1ccc(CC#N)cc1 ZINC000895091669 1105058646 /nfs/dbraw/zinc/05/86/46/1105058646.db2.gz XZZWWFKQKKZDPS-UHFFFAOYSA-N 0 1 357.479 4.451 20 30 FIEDMN Cc1nc(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)ccc1C#N ZINC000520690240 1105115156 /nfs/dbraw/zinc/11/51/56/1105115156.db2.gz YZPNAGVESVCFHW-UHFFFAOYSA-N 0 1 371.375 4.196 20 30 FIEDMN CC[C@@H](c1ccc(Br)cc1)N1CCN(CCCCC#N)CC1 ZINC000507849214 1105244096 /nfs/dbraw/zinc/24/40/96/1105244096.db2.gz YGMOLPQIRALULU-SFHVURJKSA-N 0 1 364.331 4.212 20 30 FIEDMN N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000508000748 1105292121 /nfs/dbraw/zinc/29/21/21/1105292121.db2.gz OQVUQASIALCRHD-UHFFFAOYSA-N 0 1 373.347 4.013 20 30 FIEDMN C[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000151480680 1105372276 /nfs/dbraw/zinc/37/22/76/1105372276.db2.gz DOVQOEWVEQBXES-CQSZACIVSA-N 0 1 367.415 4.041 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2cc3ccccc3o2)c(C#N)c1C ZINC000182630559 1106773159 /nfs/dbraw/zinc/77/31/59/1106773159.db2.gz TYRHVGXNKWQWFQ-STQMWFEESA-N 0 1 351.406 4.192 20 30 FIEDMN COc1nc2ccccc2cc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000530277905 1106940585 /nfs/dbraw/zinc/94/05/85/1106940585.db2.gz DJCIWGQTWJDRFX-UHFFFAOYSA-N 0 1 373.456 4.158 20 30 FIEDMN N#Cc1c(F)cccc1CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000428348605 1107398730 /nfs/dbraw/zinc/39/87/30/1107398730.db2.gz MVPLRIZHMWMPAQ-QGZVFWFLSA-N 0 1 367.472 4.243 20 30 FIEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1CCc1nc(-c2ccccc2)no1 ZINC000530971107 1107436998 /nfs/dbraw/zinc/43/69/98/1107436998.db2.gz QCBQUJFNWVJELW-WOJBJXKFSA-N 0 1 358.445 4.051 20 30 FIEDMN C[C@H](NCc1cccc(OCCCC#N)c1)c1ccc(Br)cn1 ZINC000475507265 1107588285 /nfs/dbraw/zinc/58/82/85/1107588285.db2.gz FDYIJGJWFUNVBR-AWEZNQCLSA-N 0 1 374.282 4.377 20 30 FIEDMN CC(C)(C)c1nc2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)cc2[nH]1 ZINC000475580608 1107798397 /nfs/dbraw/zinc/79/83/97/1107798397.db2.gz GADGGPADLKGUDG-UHFFFAOYSA-N 0 1 358.445 4.402 20 30 FIEDMN Cc1cccc2nc(CCC(=O)N[C@@H](CCCC#N)c3ccccc3)[nH]c21 ZINC000487503316 1107990536 /nfs/dbraw/zinc/99/05/36/1107990536.db2.gz QKFAHNZYWVRXSM-SFHVURJKSA-N 0 1 360.461 4.355 20 30 FIEDMN COc1ccc(Cl)cc1CN1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444601156 1108011871 /nfs/dbraw/zinc/01/18/71/1108011871.db2.gz VMFAVXDJTPTTID-UHFFFAOYSA-N 0 1 363.933 4.186 20 30 FIEDMN C[C@H](NCCOc1ccccc1C#N)c1nc2ccccc2n1C(F)F ZINC000444676216 1108079666 /nfs/dbraw/zinc/07/96/66/1108079666.db2.gz NKEWQCOUVIWBKN-ZDUSSCGKSA-N 0 1 356.376 4.033 20 30 FIEDMN CC(C)[C@H]1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000444752665 1108151202 /nfs/dbraw/zinc/15/12/02/1108151202.db2.gz GAOBDLVRAYFMDJ-IRXDYDNUSA-N 0 1 359.539 4.387 20 30 FIEDMN COc1cc(CNCc2cccc(NC(=O)c3ccccc3)c2)ccc1C#N ZINC000440616111 1108325487 /nfs/dbraw/zinc/32/54/87/1108325487.db2.gz CQRUQAXUAAKRJG-UHFFFAOYSA-N 0 1 371.440 4.109 20 30 FIEDMN N#CCCN(C(=O)CN1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000523634779 1108399796 /nfs/dbraw/zinc/39/97/96/1108399796.db2.gz SUFKNTJBWJRPGT-GOSISDBHSA-N 0 1 367.880 4.076 20 30 FIEDMN COC(=O)CC1(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000440762850 1108751216 /nfs/dbraw/zinc/75/12/16/1108751216.db2.gz IFXIFPKHQZILDZ-UHFFFAOYSA-N 0 1 366.436 4.043 20 30 FIEDMN COc1cc(CNCc2ccc(Oc3ccc(F)cc3)nc2)ccc1C#N ZINC000440802412 1108864464 /nfs/dbraw/zinc/86/44/64/1108864464.db2.gz RXXKHMWEWDAOBW-UHFFFAOYSA-N 0 1 363.392 4.183 20 30 FIEDMN N#Cc1ccc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000475634690 1108971525 /nfs/dbraw/zinc/97/15/25/1108971525.db2.gz NRXBPZVNOHHSBM-INIZCTEOSA-N 0 1 354.759 4.054 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000524890084 1109196494 /nfs/dbraw/zinc/19/64/94/1109196494.db2.gz YJAKMXITTPXLHC-GCJKJVERSA-N 0 1 366.480 4.288 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000022253550 1109294979 /nfs/dbraw/zinc/29/49/79/1109294979.db2.gz WLFLPJPXFBLOHL-INIZCTEOSA-N 0 1 357.523 4.214 20 30 FIEDMN CCN(CCC#N)C(=O)CN[C@@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000447342491 1109524330 /nfs/dbraw/zinc/52/43/30/1109524330.db2.gz UEFBXDBJVKRGSW-DEOSSOPVSA-N 0 1 371.484 4.281 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)c1 ZINC000526007947 1109586551 /nfs/dbraw/zinc/58/65/51/1109586551.db2.gz HVLMYOFMSQLNOS-HNNXBMFYSA-N 0 1 353.466 4.232 20 30 FIEDMN CC[C@@H](N[C@H](CO)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000447589325 1109588640 /nfs/dbraw/zinc/58/86/40/1109588640.db2.gz XMWGJRKEHNLQFY-QZTJIDSGSA-N 0 1 359.267 4.095 20 30 FIEDMN CC[C@H](N[C@@H](CO)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000447589327 1109588949 /nfs/dbraw/zinc/58/89/49/1109588949.db2.gz XMWGJRKEHNLQFY-ROUUACIJSA-N 0 1 359.267 4.095 20 30 FIEDMN N#Cc1ccc(OC2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)cc1 ZINC000527240163 1109719959 /nfs/dbraw/zinc/71/99/59/1109719959.db2.gz JIODTEKBHWHDJE-UHFFFAOYSA-N 0 1 370.456 4.059 20 30 FIEDMN N#Cc1ccccc1OC1CCC(N[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000527360498 1109749779 /nfs/dbraw/zinc/74/97/79/1109749779.db2.gz LXBGAWHCXACWQY-AOMIVXANSA-N 0 1 372.472 4.351 20 30 FIEDMN N#Cc1c(F)cccc1N1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538664455 1111233371 /nfs/dbraw/zinc/23/33/71/1111233371.db2.gz PENMGNGHAJVNRL-OAHLLOKOSA-N 0 1 353.445 4.247 20 30 FIEDMN N#Cc1c(F)cccc1N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538664455 1111233376 /nfs/dbraw/zinc/23/33/76/1111233376.db2.gz PENMGNGHAJVNRL-OAHLLOKOSA-N 0 1 353.445 4.247 20 30 FIEDMN N#Cc1csc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 ZINC000538739081 1111272378 /nfs/dbraw/zinc/27/23/78/1111272378.db2.gz ZNYOGIBCVIXFAA-GOSISDBHSA-N 0 1 371.893 4.221 20 30 FIEDMN CCOCc1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)ccc1OC ZINC000538824428 1111316231 /nfs/dbraw/zinc/31/62/31/1111316231.db2.gz HTIJULVYMJFZDG-UHFFFAOYSA-N 0 1 362.473 4.393 20 30 FIEDMN C[C@H](C(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1)c1cccc(C#N)c1 ZINC000461899278 1111402163 /nfs/dbraw/zinc/40/21/63/1111402163.db2.gz IPUVXWMQOWGSIU-AWEZNQCLSA-N 0 1 367.412 4.239 20 30 FIEDMN C[C@@H](C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccc(C#N)c1 ZINC000461925239 1111414229 /nfs/dbraw/zinc/41/42/29/1111414229.db2.gz CAVFIOHOWBSQIJ-YJYMSZOUSA-N 0 1 360.417 4.028 20 30 FIEDMN Cc1ccnn1-c1ccc(C(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000041502329 1111522570 /nfs/dbraw/zinc/52/25/70/1111522570.db2.gz UXAGURRZCPFVSS-INIZCTEOSA-N 0 1 358.426 4.281 20 30 FIEDMN Cc1ccc([C@H](C)NCc2ccc(C#N)cc2OC(F)F)cc1[N+](=O)[O-] ZINC000539379020 1111543453 /nfs/dbraw/zinc/54/34/53/1111543453.db2.gz KZPIQIMOZNPLFR-LBPRGKRZSA-N 0 1 361.348 4.227 20 30 FIEDMN C[C@@H](NCC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000554849550 1112528696 /nfs/dbraw/zinc/52/86/96/1112528696.db2.gz ZMGPRJLFOHCGTR-KUHUBIRLSA-N 0 1 355.507 4.174 20 30 FIEDMN Cc1nc2cccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c2[nH]1 ZINC000555005924 1112614803 /nfs/dbraw/zinc/61/48/03/1112614803.db2.gz GSYFESDZKUETQY-HNNXBMFYSA-N 0 1 359.216 4.173 20 30 FIEDMN CO[C@H](CC(C)C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000842295426 1112854393 /nfs/dbraw/zinc/85/43/93/1112854393.db2.gz GEYOLRYUHAUEMM-IAQYHMDHSA-N 0 1 364.417 4.326 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nccc3ccccc32)cnn1-c1ccccc1F ZINC000483207099 1113465675 /nfs/dbraw/zinc/46/56/75/1113465675.db2.gz VNFNLJNXNLCCDX-QGZVFWFLSA-N 0 1 370.387 4.358 20 30 FIEDMN O=C(Nc1ccccc1C#Cc1ccccc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000483313814 1113485054 /nfs/dbraw/zinc/48/50/54/1113485054.db2.gz CBDIGIKWDPJUDO-HXUWFJFHSA-N 0 1 356.429 4.009 20 30 FIEDMN Cc1c2cc(C)c(C)cc2sc1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000486190017 1113521149 /nfs/dbraw/zinc/52/11/49/1113521149.db2.gz HIOOPVIQYZUYLU-UHFFFAOYSA-N 0 1 352.463 4.150 20 30 FIEDMN Cc1c2cc(F)ccc2oc1S(=O)(=O)Nc1ccc(C#N)cc1Cl ZINC000486511811 1113584297 /nfs/dbraw/zinc/58/42/97/1113584297.db2.gz WTSPGPKKILWIBW-UHFFFAOYSA-N 0 1 364.785 4.206 20 30 FIEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000488277076 1113901331 /nfs/dbraw/zinc/90/13/31/1113901331.db2.gz GGFKHMVFVNRQJO-GFCCVEGCSA-N 0 1 350.388 4.093 20 30 FIEDMN CC[C@@H](c1ccccc1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000488774117 1113992367 /nfs/dbraw/zinc/99/23/67/1113992367.db2.gz ZQVDAHZODBWACK-SFHVURJKSA-N 0 1 362.433 4.080 20 30 FIEDMN C=CCN(CCc1ccco1)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000490261981 1114254765 /nfs/dbraw/zinc/25/47/65/1114254765.db2.gz PHPAFEKKTNCBQT-UHFFFAOYSA-N 0 1 355.825 4.194 20 30 FIEDMN COc1cccc(-c2nc(/C=C/C(=O)c3ccc(O)cc3O)cs2)c1 ZINC000156639202 1114483268 /nfs/dbraw/zinc/48/32/68/1114483268.db2.gz GVLMIUPVEKOYDW-VMPITWQZSA-N 0 1 353.399 4.126 20 30 FIEDMN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccnc(OC3CCC3)c2)s1 ZINC000571858265 1114545857 /nfs/dbraw/zinc/54/58/57/1114545857.db2.gz VXQXKPOPLGUSBN-CQSZACIVSA-N 0 1 355.463 4.257 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccnc(OC3CCC3)c2)s1 ZINC000571858265 1114545859 /nfs/dbraw/zinc/54/58/59/1114545859.db2.gz VXQXKPOPLGUSBN-CQSZACIVSA-N 0 1 355.463 4.257 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000589740129 1114837687 /nfs/dbraw/zinc/83/76/87/1114837687.db2.gz KNOZTBGZODPSIN-SFHVURJKSA-N 0 1 359.495 4.127 20 30 FIEDMN N#Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)c(Cl)c1 ZINC000592177819 1115216434 /nfs/dbraw/zinc/21/64/34/1115216434.db2.gz TUIFJANZVRUPAV-FQEVSTJZSA-N 0 1 352.865 4.371 20 30 FIEDMN CC[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1F ZINC000594020031 1115364897 /nfs/dbraw/zinc/36/48/97/1115364897.db2.gz XOBLCXAKXMQQNN-FOIQADDNSA-N 0 1 371.431 4.341 20 30 FIEDMN CC(C)(C#N)c1ccc(CNCc2cccnc2OCC(F)(F)F)cc1 ZINC000594493895 1115449215 /nfs/dbraw/zinc/44/92/15/1115449215.db2.gz ABEDCWHMVFHMTB-UHFFFAOYSA-N 0 1 363.383 4.114 20 30 FIEDMN COc1cc2c(cc1CNCc1ccc(C(C)(C)C#N)cc1)O[C@@H](C)C2 ZINC000594495399 1115449564 /nfs/dbraw/zinc/44/95/64/1115449564.db2.gz RUHJYQXYCQYWGQ-HNNXBMFYSA-N 0 1 350.462 4.110 20 30 FIEDMN CC[C@H](C)NC(=O)c1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594495254 1115450107 /nfs/dbraw/zinc/45/01/07/1115450107.db2.gz OYLJOROYXLCRIF-KRWDZBQOSA-N 0 1 363.505 4.306 20 30 FIEDMN Cn1c(CNCc2ccc(C(C)(C)C#N)cc2)nc2cccc(Cl)c21 ZINC000594500622 1115450886 /nfs/dbraw/zinc/45/08/86/1115450886.db2.gz QHAUQVQTAQIIFC-UHFFFAOYSA-N 0 1 352.869 4.318 20 30 FIEDMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC[C@H](CC#N)C1 ZINC000595623422 1115551676 /nfs/dbraw/zinc/55/16/76/1115551676.db2.gz PBQKRJMDLLFYQN-QGZVFWFLSA-N 0 1 356.901 4.327 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@H](c2ccccc2F)C(C)C)c(C#N)c1C ZINC000595685215 1115554267 /nfs/dbraw/zinc/55/42/67/1115554267.db2.gz FMVHFIBGMYLHLN-UGSOOPFHSA-N 0 1 357.429 4.221 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@@H](c2ccccc2F)C(C)C)c(C#N)c1C ZINC000595685214 1115554430 /nfs/dbraw/zinc/55/44/30/1115554430.db2.gz FMVHFIBGMYLHLN-SCLBCKFNSA-N 0 1 357.429 4.221 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN2CC3CC2(c2ccccc2)C3)c1C ZINC000595911904 1115566863 /nfs/dbraw/zinc/56/68/63/1115566863.db2.gz UIVGZKVADDQLNB-UHFFFAOYSA-N 0 1 373.500 4.171 20 30 FIEDMN N#CC1(CCCOc2ccc(CN3CCCC3)c(Cl)c2)CCOCC1 ZINC000596300708 1115581866 /nfs/dbraw/zinc/58/18/66/1115581866.db2.gz DOWYWDJKSYVEBL-UHFFFAOYSA-N 0 1 362.901 4.415 20 30 FIEDMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027801 1115634765 /nfs/dbraw/zinc/63/47/65/1115634765.db2.gz RPBSJNYNNROLEP-PUAOIOHZSA-N 0 1 352.503 4.172 20 30 FIEDMN COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC[C@H](CC#N)C2)c1 ZINC000597173875 1115646247 /nfs/dbraw/zinc/64/62/47/1115646247.db2.gz MLKZTEJUFXQODY-QGZVFWFLSA-N 0 1 366.509 4.439 20 30 FIEDMN N#CC1(CC(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)CCCCC1 ZINC000597212315 1115648315 /nfs/dbraw/zinc/64/83/15/1115648315.db2.gz UFADTKDHJAOJIA-UHFFFAOYSA-N 0 1 359.433 4.428 20 30 FIEDMN Cc1ccc(C2CC2)c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593348318 1115664299 /nfs/dbraw/zinc/66/42/99/1115664299.db2.gz KQFYHIYIUHRDTC-UHFFFAOYSA-N 0 1 373.500 4.139 20 30 FIEDMN CCC[C@H](CC(C)C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593349617 1115664314 /nfs/dbraw/zinc/66/43/14/1115664314.db2.gz RTROUPCAILBXRT-HXUWFJFHSA-N 0 1 355.526 4.101 20 30 FIEDMN CC1(C)CCC(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000593354587 1115666781 /nfs/dbraw/zinc/66/67/81/1115666781.db2.gz TUTCAHJUDHOSQB-UHFFFAOYSA-N 0 1 367.537 4.245 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](CC#N)C2)c1 ZINC000597902607 1115694765 /nfs/dbraw/zinc/69/47/65/1115694765.db2.gz ATVPELKHBMOJMP-FQEVSTJZSA-N 0 1 361.489 4.084 20 30 FIEDMN Cc1nc(-c2ccccc2)oc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000602916149 1115734023 /nfs/dbraw/zinc/73/40/23/1115734023.db2.gz QXHNZEDTIOAPJL-UHFFFAOYSA-N 0 1 373.456 4.317 20 30 FIEDMN CC(C)(C)c1ccc(CCCCC(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000170709509 1115755069 /nfs/dbraw/zinc/75/50/69/1115755069.db2.gz UPWATGDYFOLEDL-LJQANCHMSA-N 0 1 354.494 4.028 20 30 FIEDMN N#CCc1ccc(CNCc2cccc(F)c2OCC(F)(F)F)cc1 ZINC000598982718 1115775263 /nfs/dbraw/zinc/77/52/63/1115775263.db2.gz NLXJLGWQORGMBU-UHFFFAOYSA-N 0 1 352.331 4.123 20 30 FIEDMN N#Cc1cc(CN2CC[C@@H](Sc3ccc(Br)cc3)C2)ccn1 ZINC000599525860 1115822645 /nfs/dbraw/zinc/82/26/45/1115822645.db2.gz AMOCGLCNGUXNDA-QGZVFWFLSA-N 0 1 374.307 4.082 20 30 FIEDMN COc1cc(Br)ccc1[C@@H]1CCCN1CCCSCC#N ZINC000599572662 1115827354 /nfs/dbraw/zinc/82/73/54/1115827354.db2.gz DTHSFTGOGFHLLY-HNNXBMFYSA-N 0 1 369.328 4.241 20 30 FIEDMN CC(C)COc1ccccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000603983089 1115836984 /nfs/dbraw/zinc/83/69/84/1115836984.db2.gz HROOVJDVTLADGX-UHFFFAOYSA-N 0 1 364.854 4.047 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(CC#N)cc3)[nH]c2c1 ZINC000061748166 1115872248 /nfs/dbraw/zinc/87/22/48/1115872248.db2.gz VCMCLVMSCKLDLR-IBGZPJMESA-N 0 1 359.433 4.306 20 30 FIEDMN N#CCOc1ccc(CNCc2cc(Cl)ccc2OC(F)F)cc1 ZINC000171769466 1115875005 /nfs/dbraw/zinc/87/50/05/1115875005.db2.gz PNDWFHLNPUKINB-UHFFFAOYSA-N 0 1 352.768 4.134 20 30 FIEDMN N#Cc1ccc(C2(NCC(=O)Nc3c(Cl)cccc3Cl)CCC2)cc1 ZINC000594030956 1115965011 /nfs/dbraw/zinc/96/50/11/1115965011.db2.gz BCCSUUKBDNQOHT-UHFFFAOYSA-N 0 1 374.271 4.473 20 30 FIEDMN CCOc1cc(CNC2(c3ccc(C#N)cc3)CCC2)ccc1[N+](=O)[O-] ZINC000594033515 1115967441 /nfs/dbraw/zinc/96/74/41/1115967441.db2.gz QSSYFATWRHJVSK-UHFFFAOYSA-N 0 1 351.406 4.034 20 30 FIEDMN CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000615224883 1115969820 /nfs/dbraw/zinc/96/98/20/1115969820.db2.gz NDEBZQQUNFXRLT-NRFANRHFSA-N 0 1 373.928 4.215 20 30 FIEDMN CCOc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000063311669 1116045701 /nfs/dbraw/zinc/04/57/01/1116045701.db2.gz DBLVLGYCRRGUIK-KBPBESRZSA-N 0 1 371.868 4.288 20 30 FIEDMN COc1ccc(CNCc2ccnc(O[C@@H](C)CC(C)C)c2)cc1C#N ZINC000174375197 1116131595 /nfs/dbraw/zinc/13/15/95/1116131595.db2.gz XTRTWCCLVMEXOO-INIZCTEOSA-N 0 1 353.466 4.065 20 30 FIEDMN COc1ccc(CNC2(c3ccc(Br)cc3)CC2)cc1C#N ZINC000174343945 1116132042 /nfs/dbraw/zinc/13/20/42/1116132042.db2.gz XILSUGWPGSJLLT-UHFFFAOYSA-N 0 1 357.251 4.108 20 30 FIEDMN CCC[C@@H](NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1ccccn1 ZINC000089632032 1116202238 /nfs/dbraw/zinc/20/22/38/1116202238.db2.gz NGBUSLWWAPWWQY-QZTJIDSGSA-N 0 1 353.466 4.402 20 30 FIEDMN C=C[C@@H](CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)c1ccccc1 ZINC000534655810 1116223046 /nfs/dbraw/zinc/22/30/46/1116223046.db2.gz YNNYAKYSTZTRSW-OXJNMPFZSA-N 0 1 356.897 4.419 20 30 FIEDMN COc1cc([C@H](C)NCC#Cc2ccc(Cl)cc2)cc(OC)c1OC ZINC000540326669 1117993262 /nfs/dbraw/zinc/99/32/62/1117993262.db2.gz JZQQKVRDIJFNTN-AWEZNQCLSA-N 0 1 359.853 4.068 20 30 FIEDMN Cc1c2ccccc2oc1[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(C)C ZINC000540359834 1118013672 /nfs/dbraw/zinc/01/36/72/1118013672.db2.gz VPWLHRUTDCZGQW-TZIWHRDSSA-N 0 1 355.482 4.082 20 30 FIEDMN N#Cc1ccc(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)cc1 ZINC000463187181 1118017199 /nfs/dbraw/zinc/01/71/99/1118017199.db2.gz ALAYUEMJJAEDCC-UHFFFAOYSA-N 0 1 370.397 4.275 20 30 FIEDMN C#CCC1(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC001127244632 1118058853 /nfs/dbraw/zinc/05/88/53/1118058853.db2.gz FWFNFTGOHUDMEJ-VQTJNVASSA-N 0 1 352.522 4.082 20 30 FIEDMN C=CCCOCCCCC(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000540481389 1118080517 /nfs/dbraw/zinc/08/05/17/1118080517.db2.gz NYQDYHXMZYOSAT-GOSISDBHSA-N 0 1 369.509 4.340 20 30 FIEDMN C=CCCOCCCCC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000540480786 1118080806 /nfs/dbraw/zinc/08/08/06/1118080806.db2.gz DIXNYMFDNAKRPX-UHFFFAOYSA-N 0 1 355.360 4.283 20 30 FIEDMN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC(CC#N)CC2)cc1 ZINC000541022222 1118351649 /nfs/dbraw/zinc/35/16/49/1118351649.db2.gz VSIDGPAEGAVFRJ-NRFANRHFSA-N 0 1 367.537 4.273 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541020060 1118356532 /nfs/dbraw/zinc/35/65/32/1118356532.db2.gz IHXMGAYFBGFYFG-GOSISDBHSA-N 0 1 362.395 4.330 20 30 FIEDMN C[C@@H](NCC(=O)NC(C1CC1)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541084461 1118376851 /nfs/dbraw/zinc/37/68/51/1118376851.db2.gz KNLOUGXYLSZZGN-MRXNPFEDSA-N 0 1 373.500 4.181 20 30 FIEDMN N#Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000443469863 1118396318 /nfs/dbraw/zinc/39/63/18/1118396318.db2.gz SYDOJNJJYILJIK-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN N#CC(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1 ZINC000464465982 1118572455 /nfs/dbraw/zinc/57/24/55/1118572455.db2.gz HGINPJORLLGBID-LLVKDONJSA-N 0 1 369.686 4.152 20 30 FIEDMN Cc1cc(Br)cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000464628738 1118628955 /nfs/dbraw/zinc/62/89/55/1118628955.db2.gz JNUMPXVAYLMGAX-AWEZNQCLSA-N 0 1 368.234 4.432 20 30 FIEDMN C=CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)s1 ZINC000302744801 1118672441 /nfs/dbraw/zinc/67/24/41/1118672441.db2.gz PFRGULZBTFNNFW-UHFFFAOYSA-N 0 1 374.893 4.076 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc([C@@H]4CCCOC4)cc3)[nH]c21 ZINC000541880814 1118687100 /nfs/dbraw/zinc/68/71/00/1118687100.db2.gz BMCGMXLNZAIREE-MSOLQXFVSA-N 0 1 359.429 4.255 20 30 FIEDMN Cc1ccnc(N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000542280553 1118880406 /nfs/dbraw/zinc/88/04/06/1118880406.db2.gz QEXWVHCTAJVNPQ-OALUTQOASA-N 0 1 356.420 4.176 20 30 FIEDMN C=CCN(CC1CCCCC1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000303484716 1118948378 /nfs/dbraw/zinc/94/83/78/1118948378.db2.gz UQHZFPJBIMMZAN-LJQANCHMSA-N 0 1 359.514 4.194 20 30 FIEDMN C=CCN(CC1CCCCC1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000303484715 1118948460 /nfs/dbraw/zinc/94/84/60/1118948460.db2.gz UQHZFPJBIMMZAN-IBGZPJMESA-N 0 1 359.514 4.194 20 30 FIEDMN CCN(CCNc1ccc(C#N)cc1C(F)(F)F)CCC(F)(F)F ZINC000491682424 1118973559 /nfs/dbraw/zinc/97/35/59/1118973559.db2.gz YESBPKCRPDDNNZ-UHFFFAOYSA-N 0 1 353.310 4.263 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CC[C@@H](COc3ccccc3)C2)c1 ZINC000492416726 1119085925 /nfs/dbraw/zinc/08/59/25/1119085925.db2.gz KXSMQONTKGEBOU-MRXNPFEDSA-N 0 1 371.278 4.222 20 30 FIEDMN N#Cc1ccc(Br)c(CN(C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000492657416 1119153149 /nfs/dbraw/zinc/15/31/49/1119153149.db2.gz SQLWGHPGIZYDOJ-KRWDZBQOSA-N 0 1 363.299 4.244 20 30 FIEDMN COc1ccc([C@@H]2CCN(Cc3cc(C#N)ccc3Br)C2)cc1 ZINC000492752494 1119179060 /nfs/dbraw/zinc/17/90/60/1119179060.db2.gz WMVFINMYQYFQSL-MRXNPFEDSA-N 0 1 371.278 4.319 20 30 FIEDMN C=CCCCC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000175153535 1119180990 /nfs/dbraw/zinc/18/09/90/1119180990.db2.gz QKCWLXBDQCZOKB-UHFFFAOYSA-N 0 1 354.416 4.096 20 30 FIEDMN Cc1cc(F)cc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 ZINC000176708353 1119290273 /nfs/dbraw/zinc/29/02/73/1119290273.db2.gz LMESOJFVMROBIF-ZDUSSCGKSA-N 0 1 364.467 4.329 20 30 FIEDMN C=CCc1cc(CNC(C)(C)c2nc3ccccc3n2C)cc(OC)c1O ZINC000185634899 1119677468 /nfs/dbraw/zinc/67/74/68/1119677468.db2.gz IOVFJKJSCWLUQP-UHFFFAOYSA-N 0 1 365.477 4.041 20 30 FIEDMN C=CCC1(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000189873324 1119919340 /nfs/dbraw/zinc/91/93/40/1119919340.db2.gz IDMFCWZIZZFTKJ-QAPCUYQASA-N 0 1 364.892 4.335 20 30 FIEDMN N#C[C@H](C(=O)c1cc(F)cc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000465417447 1119973444 /nfs/dbraw/zinc/97/34/44/1119973444.db2.gz NYHJXYBSZIPQAZ-CQSZACIVSA-N 0 1 357.797 4.488 20 30 FIEDMN N#CC(C(=O)c1cc(F)cc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000465417447 1119973445 /nfs/dbraw/zinc/97/34/45/1119973445.db2.gz NYHJXYBSZIPQAZ-CQSZACIVSA-N 0 1 357.797 4.488 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000195322344 1120144633 /nfs/dbraw/zinc/14/46/33/1120144633.db2.gz ZKKMRZQLPDPGSU-HNNXBMFYSA-N 0 1 356.422 4.409 20 30 FIEDMN Cc1nc(CN=Nc2nc(Cl)c(Cl)cc2Cl)c2ccccn12 ZINC000914600011 1120407774 /nfs/dbraw/zinc/40/77/74/1120407774.db2.gz PPTCIPQGGFFLPF-UHFFFAOYSA-N 0 1 354.628 4.444 20 30 FIEDMN CC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(Cl)s1 ZINC000542555199 1120734695 /nfs/dbraw/zinc/73/46/95/1120734695.db2.gz ATVFOKLOZCKFIT-CYBMUJFWSA-N 0 1 353.919 4.127 20 30 FIEDMN C=C(C)CN(CC)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000303581238 1120774515 /nfs/dbraw/zinc/77/45/15/1120774515.db2.gz OYLOTAAYDXFDLY-OAQYLSRUSA-N 0 1 354.519 4.120 20 30 FIEDMN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000915085301 1120795038 /nfs/dbraw/zinc/79/50/38/1120795038.db2.gz KMLKVJKUVALDCD-FQEVSTJZSA-N 0 1 352.397 4.471 20 30 FIEDMN CCc1ccc([C@@H](C)NCc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000915215587 1120871555 /nfs/dbraw/zinc/87/15/55/1120871555.db2.gz YTIULYCJYGIIJO-DNVCBOLYSA-N 0 1 370.456 4.137 20 30 FIEDMN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000032465534 1120948871 /nfs/dbraw/zinc/94/88/71/1120948871.db2.gz RBNCGKCAIRPQEV-CYBMUJFWSA-N 0 1 362.433 4.138 20 30 FIEDMN COc1cc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)cc([N+](=O)[O-])c1O ZINC000763288722 1121318124 /nfs/dbraw/zinc/31/81/24/1121318124.db2.gz IQGJNLBYMWUKAU-MGMWDDNKSA-N 0 1 351.358 4.009 20 30 FIEDMN COc1ccc(C(C)N=Nc2nc3ccccc3[nH]2)cc1Br ZINC000915915464 1121348051 /nfs/dbraw/zinc/34/80/51/1121348051.db2.gz KXIFBQBTEAYIBY-UHFFFAOYSA-N 0 1 359.227 4.170 20 30 FIEDMN COc1ccc(C(C)=NN=c2[nH]c3ccccc3[nH]2)cc1Br ZINC000915915464 1121348059 /nfs/dbraw/zinc/34/80/59/1121348059.db2.gz KXIFBQBTEAYIBY-UHFFFAOYSA-N 0 1 359.227 4.170 20 30 FIEDMN Fc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br ZINC000915917742 1121348461 /nfs/dbraw/zinc/34/84/61/1121348461.db2.gz MEHMYFZPSPJLQJ-UHFFFAOYSA-N 0 1 362.124 4.448 20 30 FIEDMN O=[N+]([O-])c1cccc(N=NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000915934883 1121354322 /nfs/dbraw/zinc/35/43/22/1121354322.db2.gz NAORWDHRGBDKQW-UHFFFAOYSA-N 0 1 358.829 4.312 20 30 FIEDMN COc1cc(OC)c(C(C)=NNc2nc3ccccc3n2C)cc1Cl ZINC000915971364 1121358397 /nfs/dbraw/zinc/35/83/97/1121358397.db2.gz QWCXIRWFCAARSR-UHFFFAOYSA-N 0 1 358.829 4.080 20 30 FIEDMN CC(C)c1nn(C)c(Cl)c1CN=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000915976936 1121360112 /nfs/dbraw/zinc/36/01/12/1121360112.db2.gz LUCFUDFJYBTBJV-UHFFFAOYSA-N 0 1 356.213 4.205 20 30 FIEDMN CC[NH+](CC)Cc1cc(C(C)=NNCc2ccc(F)c(F)c2)ccc1[O-] ZINC000915977161 1121360751 /nfs/dbraw/zinc/36/07/51/1121360751.db2.gz VRIWIRKEBGFLKK-UHFFFAOYSA-N 0 1 361.436 4.026 20 30 FIEDMN Cc1cc(C)nc([N-][NH+]=Cc2cc3ccccc3nc2N2CCCCC2)n1 ZINC000916241149 1121451453 /nfs/dbraw/zinc/45/14/53/1121451453.db2.gz JMBNCXOMKISKAZ-UHFFFAOYSA-N 0 1 360.465 4.078 20 30 FIEDMN Cc1sc(NC(=O)CNC2(c3ccc(Cl)cc3)CC2)c(C#N)c1C ZINC000553006871 1121523659 /nfs/dbraw/zinc/52/36/59/1121523659.db2.gz XKMIRTUFVFEERX-UHFFFAOYSA-N 0 1 359.882 4.107 20 30 FIEDMN CC(C)C[C@@H]1CCCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000108362276 1121533966 /nfs/dbraw/zinc/53/39/66/1121533966.db2.gz YBGXHNMIIXQTEH-IRXDYDNUSA-N 0 1 359.539 4.387 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(c2ccccc2F)CCCC1 ZINC000916627367 1121565060 /nfs/dbraw/zinc/56/50/60/1121565060.db2.gz PMGRACHHQDGAFO-OAHLLOKOSA-N 0 1 361.420 4.401 20 30 FIEDMN C=C[C@H](CC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1ccccc1 ZINC000125166958 1121751696 /nfs/dbraw/zinc/75/16/96/1121751696.db2.gz VSSXBVAWQKDKRV-QUCCMNQESA-N 0 1 352.478 4.201 20 30 FIEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000916884103 1121909180 /nfs/dbraw/zinc/90/91/80/1121909180.db2.gz SBKWEMQCLQVKHY-MJVIPROJSA-N 0 1 372.774 4.356 20 30 FIEDMN CCCCC1CCC(C(=O)C(C#N)C(=O)Nc2cccc(OC)c2)CC1 ZINC000916889098 1121911547 /nfs/dbraw/zinc/91/15/47/1121911547.db2.gz BKSAJCUNJJNMMO-LADRWXRNSA-N 0 1 356.466 4.339 20 30 FIEDMN CC(C)(CCC#N)CNc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000126128858 1121921654 /nfs/dbraw/zinc/92/16/54/1121921654.db2.gz HYAJVUNESYRTEQ-UHFFFAOYSA-N 0 1 356.514 4.243 20 30 FIEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(C)=O)s2)cc1 ZINC000916914922 1121934092 /nfs/dbraw/zinc/93/40/92/1121934092.db2.gz ZCMZQQPNYWPJNW-INIZCTEOSA-N 0 1 368.458 4.254 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)CC(C)(C)C)cc1Cl ZINC000916940900 1121961911 /nfs/dbraw/zinc/96/19/11/1121961911.db2.gz OICBWQGDIOUFPA-TZMCWYRMSA-N 0 1 364.873 4.458 20 30 FIEDMN COc1cc(Cl)cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000497360831 1122147886 /nfs/dbraw/zinc/14/78/86/1122147886.db2.gz DXPGYJYSEWNXMR-HNNXBMFYSA-N 0 1 369.833 4.357 20 30 FIEDMN COc1cc(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000497360831 1122147893 /nfs/dbraw/zinc/14/78/93/1122147893.db2.gz DXPGYJYSEWNXMR-HNNXBMFYSA-N 0 1 369.833 4.357 20 30 FIEDMN CCOc1cccc(/C=N/C2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC000917556518 1122360014 /nfs/dbraw/zinc/36/00/14/1122360014.db2.gz BUHHHTRLMRHCMJ-OEAKJJBVSA-N 0 1 356.441 4.014 20 30 FIEDMN CCOc1cccc(/C=N\C2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC000917556519 1122360374 /nfs/dbraw/zinc/36/03/74/1122360374.db2.gz BUHHHTRLMRHCMJ-UCQKPKSFSA-N 0 1 356.441 4.014 20 30 FIEDMN C[C@@H](NCc1cc(Br)cc2c1OCC2)c1ccc(C#N)cc1 ZINC000128766625 1122402371 /nfs/dbraw/zinc/40/23/71/1122402371.db2.gz AIXXNWFJPWCOKA-GFCCVEGCSA-N 0 1 357.251 4.106 20 30 FIEDMN N#Cc1ccccc1C=CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000918653459 1122731886 /nfs/dbraw/zinc/73/18/86/1122731886.db2.gz JDLRWOFGIVEVJP-YFHOEESVSA-N 0 1 354.369 4.346 20 30 FIEDMN N#Cc1ccc(CN[C@H](c2cncc(Br)c2)C2CC2)cc1F ZINC000556518417 1122939017 /nfs/dbraw/zinc/93/90/17/1122939017.db2.gz ZLFGNQKYFAIQES-KRWDZBQOSA-N 0 1 360.230 4.096 20 30 FIEDMN N#Cc1ccc(OCCN[C@H](c2cc3ccccc3o2)c2cccnc2)cc1 ZINC000498804897 1123021803 /nfs/dbraw/zinc/02/18/03/1123021803.db2.gz WZMRZEPQYXUANB-QHCPKHFHSA-N 0 1 369.424 4.457 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)C=Cc2cc(C)c(C)cc2C)n1 ZINC000920328329 1123444300 /nfs/dbraw/zinc/44/43/00/1123444300.db2.gz RGBSHQTXCZDPJC-MWWKQMNYSA-N 0 1 368.458 4.135 20 30 FIEDMN COc1ccc(OCc2nc(C=NNc3ncccc3Cl)cs2)cc1 ZINC000920375586 1123449208 /nfs/dbraw/zinc/44/92/08/1123449208.db2.gz WNEGJXXEUYHUMV-UHFFFAOYSA-N 0 1 374.853 4.225 20 30 FIEDMN Cn1c(NN=Cc2csc(-c3ccsc3)n2)nnc1-c1ccccc1 ZINC000920373846 1123449260 /nfs/dbraw/zinc/44/92/60/1123449260.db2.gz MAQFHVALIMEQER-UHFFFAOYSA-N 0 1 366.475 4.113 20 30 FIEDMN Cc1cccc(C)c1OC[C@@H](O)C/N=C\c1cc(Cl)cc(Cl)c1O ZINC000920386505 1123450586 /nfs/dbraw/zinc/45/05/86/1123450586.db2.gz ATQBMHSNRKLACY-YBAOBPEKSA-N 0 1 368.260 4.175 20 30 FIEDMN C[C@@H](NN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000920385849 1123450651 /nfs/dbraw/zinc/45/06/51/1123450651.db2.gz IOIIUJDUKGXKAV-MRXNPFEDSA-N 0 1 352.438 4.270 20 30 FIEDMN CC(=NN=c1[nH]c2ccccc2n1C)c1ccc(OCC(F)(F)F)cc1 ZINC000920479494 1123466917 /nfs/dbraw/zinc/46/69/17/1123466917.db2.gz OOPARSJUJUDCAB-UHFFFAOYSA-N 0 1 362.355 4.351 20 30 FIEDMN CCN1CCN(c2ccc(Nc3ccc(C4(C#N)CC4)cc3)cc2F)CC1 ZINC001212255893 1123661100 /nfs/dbraw/zinc/66/11/00/1123661100.db2.gz IRGQJNZVYPLSPR-UHFFFAOYSA-N 0 1 364.468 4.266 20 30 FIEDMN N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Cl)c3O)o2)cc1 ZINC000609921637 1123888806 /nfs/dbraw/zinc/88/88/06/1123888806.db2.gz WONAELSDFKGKEL-UHFFFAOYSA-N 0 1 368.776 4.342 20 30 FIEDMN COCc1ccc([C@@H]2CCCN2Cc2cccc(OCCCC#N)c2)o1 ZINC000137064927 1123960268 /nfs/dbraw/zinc/96/02/68/1123960268.db2.gz ZGYQEIIQLBETNF-FQEVSTJZSA-N 0 1 354.450 4.446 20 30 FIEDMN CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2OC[C@@H]2CCCO2)n1 ZINC000080449690 1123965634 /nfs/dbraw/zinc/96/56/34/1123965634.db2.gz BYCVIGRDPMZKGX-GOEBONIOSA-N 0 1 370.474 4.314 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccccc2OC[C@@H]2CCCO2)n1 ZINC000080449690 1123965635 /nfs/dbraw/zinc/96/56/35/1123965635.db2.gz BYCVIGRDPMZKGX-GOEBONIOSA-N 0 1 370.474 4.314 20 30 FIEDMN Cc1cnn(-c2ccc(C(=O)C(C#N)c3nc(C(C)C)cs3)cc2)c1 ZINC000080459747 1123966903 /nfs/dbraw/zinc/96/69/03/1123966903.db2.gz ONADWISXSDOMGR-MRXNPFEDSA-N 0 1 350.447 4.251 20 30 FIEDMN Cc1cc(C)c(NC(=O)CNCc2cccc(OCCCC#N)c2)c(C)c1 ZINC000237823981 1124118636 /nfs/dbraw/zinc/11/86/36/1124118636.db2.gz SIDZMLXEODUITG-UHFFFAOYSA-N 0 1 365.477 4.023 20 30 FIEDMN CC[C@@H](CSC)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000245602168 1124134821 /nfs/dbraw/zinc/13/48/21/1124134821.db2.gz PIBOESIGJHNSKH-CABCVRRESA-N 0 1 365.568 4.093 20 30 FIEDMN Cc1cccc(S(=O)(=O)Nc2cccc(OCCCC#N)c2)c1Cl ZINC000179976917 1124179469 /nfs/dbraw/zinc/17/94/69/1124179469.db2.gz KALIHVSIKNVGTB-UHFFFAOYSA-N 0 1 364.854 4.132 20 30 FIEDMN Cc1ccc(F)cc1S(=O)(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000108251999 1124271187 /nfs/dbraw/zinc/27/11/87/1124271187.db2.gz JRZJQAZYNAUBAL-LBPRGKRZSA-N 0 1 364.467 4.187 20 30 FIEDMN CC(=O)c1ccc(C#N)c(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1 ZINC000302108223 1124283836 /nfs/dbraw/zinc/28/38/36/1124283836.db2.gz OKMQZRYNVAFJAC-XLIONFOSSA-N 0 1 353.491 4.317 20 30 FIEDMN COc1ccccc1[C@H](CNc1cc(C(C)=O)ccc1C#N)N1CCCC1 ZINC000302096664 1124284486 /nfs/dbraw/zinc/28/44/86/1124284486.db2.gz JMNTWGOAXDUCCV-NRFANRHFSA-N 0 1 363.461 4.018 20 30 FIEDMN CN1CC[C@@H](CNc2c(C#N)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302890146 1124364130 /nfs/dbraw/zinc/36/41/30/1124364130.db2.gz PHFKZRPYEBIEBP-OXJNMPFZSA-N 0 1 368.843 4.327 20 30 FIEDMN Cc1c([C@H](C)NCc2ccc(OCC#N)cc2)cnn1-c1ccc(F)cc1 ZINC000180551159 1124365497 /nfs/dbraw/zinc/36/54/97/1124365497.db2.gz YWOXXAGIGGRKHL-HNNXBMFYSA-N 0 1 364.424 4.073 20 30 FIEDMN COc1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)ccc1SC ZINC000068826158 1124374337 /nfs/dbraw/zinc/37/43/37/1124374337.db2.gz RDTYQWOZDUQNIO-UHFFFAOYSA-N 0 1 368.502 4.332 20 30 FIEDMN Cc1c(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cnn1C1CCCCC1 ZINC000542834938 1124425594 /nfs/dbraw/zinc/42/55/94/1124425594.db2.gz BRXZCMCQWYOGDA-MRXNPFEDSA-N 0 1 361.449 4.372 20 30 FIEDMN N#C[C@@H](NC(=O)c1ccc(Nc2ccncc2)cc1)c1ccccc1Cl ZINC000073647923 1124468358 /nfs/dbraw/zinc/46/83/58/1124468358.db2.gz NTKUAHJIDUDCTK-LJQANCHMSA-N 0 1 362.820 4.473 20 30 FIEDMN CCc1ccc([C@H](C)NC(=O)CN(Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109405668 1124564079 /nfs/dbraw/zinc/56/40/79/1124564079.db2.gz CJVIIUIGIZEZHI-SFHVURJKSA-N 0 1 363.505 4.208 20 30 FIEDMN CC(C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000247044463 1124584912 /nfs/dbraw/zinc/58/49/12/1124584912.db2.gz JFFDQMJLWBJBKC-AEFFLSMTSA-N 0 1 359.539 4.387 20 30 FIEDMN CC(C)[C@@H]1CCCCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000247044463 1124584915 /nfs/dbraw/zinc/58/49/15/1124584915.db2.gz JFFDQMJLWBJBKC-AEFFLSMTSA-N 0 1 359.539 4.387 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000007405737 1124900435 /nfs/dbraw/zinc/90/04/35/1124900435.db2.gz VOKLCENJNUUTJB-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN N#Cc1ccc(-c2nnc(CN3CCC(CCc4ccccc4)CC3)o2)cc1 ZINC000075594377 1124906941 /nfs/dbraw/zinc/90/69/41/1124906941.db2.gz RVDNOZUXWLDBEF-UHFFFAOYSA-N 0 1 372.472 4.453 20 30 FIEDMN C[C@@H](c1ccc2ccccc2c1)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000251516237 1125001445 /nfs/dbraw/zinc/00/14/45/1125001445.db2.gz JSVPNYHYPLAVMJ-QMHKHESXSA-N 0 1 361.489 4.174 20 30 FIEDMN COc1ccc(CNCc2ccc(Cl)s2)cc1OCCCC#N ZINC000064614438 1125034452 /nfs/dbraw/zinc/03/44/52/1125034452.db2.gz RVIAEPCVZIYODA-UHFFFAOYSA-N 0 1 350.871 4.382 20 30 FIEDMN C[C@H](NCCC(=O)Nc1sccc1C#N)c1c(F)cccc1Cl ZINC000181738519 1125118368 /nfs/dbraw/zinc/11/83/68/1125118368.db2.gz YHDMWUUHIYQBGF-JTQLQIEISA-N 0 1 351.834 4.092 20 30 FIEDMN N#Cc1cc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)cs1 ZINC000922069583 1125283095 /nfs/dbraw/zinc/28/30/95/1125283095.db2.gz PCEWNWXPFJMYED-UHFFFAOYSA-N 0 1 366.408 4.434 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@H](N[C@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618803774 1125284770 /nfs/dbraw/zinc/28/47/70/1125284770.db2.gz IQVTUKXYULCZAN-ZWKOTPCHSA-N 0 1 364.445 4.291 20 30 FIEDMN N#CCCN(Cc1ccco1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000093352663 1125312547 /nfs/dbraw/zinc/31/25/47/1125312547.db2.gz WNILIRXLRRCVMF-UHFFFAOYSA-N 0 1 359.336 4.041 20 30 FIEDMN C=CCN(CC1CCCCC1)C(=O)c1cccc(Br)c1O ZINC000601826201 567849360 /nfs/dbraw/zinc/84/93/60/567849360.db2.gz JJTWCKKQINHBBY-UHFFFAOYSA-N 0 1 352.272 4.363 20 30 FIEDMN Cc1oc(NC(=O)CN[C@@H](C)c2cccc(C(F)(F)F)c2)c(C#N)c1C ZINC000120364233 567970022 /nfs/dbraw/zinc/97/00/22/567970022.db2.gz BTAZYVBUOZUXIA-NSHDSACASA-N 0 1 365.355 4.076 20 30 FIEDMN C[C@H](CC1(C#N)CCOCC1)NCc1nc(-c2ccccc2F)cs1 ZINC000602640910 568002994 /nfs/dbraw/zinc/00/29/94/568002994.db2.gz SIMWCHDAQVHCTF-CQSZACIVSA-N 0 1 359.470 4.138 20 30 FIEDMN Cc1ncc([C@H](C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)s1 ZINC000602954419 568028591 /nfs/dbraw/zinc/02/85/91/568028591.db2.gz DMMBKFSGSPQCKD-OLZOCXBDSA-N 0 1 374.535 4.135 20 30 FIEDMN CN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000568497295 568037408 /nfs/dbraw/zinc/03/74/08/568037408.db2.gz PVSFYVDBMSXLLD-LJQANCHMSA-N 0 1 359.395 4.066 20 30 FIEDMN COc1cc(OC)c(OC)cc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481650341 568080058 /nfs/dbraw/zinc/08/00/58/568080058.db2.gz NGRKBEDADLKSKZ-LJQANCHMSA-N 0 1 366.461 4.141 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H]2CCOc3c(OC)cccc32)ccc1OC ZINC000603518628 568112098 /nfs/dbraw/zinc/11/20/98/568112098.db2.gz GGPDTXOMIULDBH-GOSISDBHSA-N 0 1 369.461 4.272 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)nn1C(C)(C)C ZINC000051656471 568139964 /nfs/dbraw/zinc/13/99/64/568139964.db2.gz RTWBDFZHQJIXFN-LBPRGKRZSA-N 0 1 371.391 4.181 20 30 FIEDMN N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)cc4[nH]cnc43)cn2)cc1 ZINC000604242385 568234818 /nfs/dbraw/zinc/23/48/18/568234818.db2.gz MINVFJBWAOYLSK-UHFFFAOYSA-N 0 1 373.347 4.013 20 30 FIEDMN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)s1 ZINC000569392566 568400332 /nfs/dbraw/zinc/40/03/32/568400332.db2.gz PZNVDIPPBOGHPB-UHFFFAOYSA-N 0 1 354.397 4.287 20 30 FIEDMN COc1cc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)ccc1C#N ZINC000570505230 568489512 /nfs/dbraw/zinc/48/95/12/568489512.db2.gz KXFWBOZHYREANA-AWEZNQCLSA-N 0 1 364.424 4.051 20 30 FIEDMN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000183130390 1125755138 /nfs/dbraw/zinc/75/51/38/1125755138.db2.gz SIGPKYUCHMBVOK-GJZGRUSLSA-N 0 1 358.463 4.292 20 30 FIEDMN C[C@@H]1CN(c2cccc(F)c2)CCN1Cc1cccc(OCCCC#N)c1 ZINC000430145922 1079620023 /nfs/dbraw/zinc/62/00/23/1079620023.db2.gz KJTSQLHVJFIIJL-GOSISDBHSA-N 0 1 367.468 4.219 20 30 FIEDMN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(-c4ccc(F)cc4)o3)C2)nc1 ZINC000430185428 1079765626 /nfs/dbraw/zinc/76/56/26/1079765626.db2.gz JAZYQPOTNQADRW-IBGZPJMESA-N 0 1 363.392 4.006 20 30 FIEDMN N#Cc1ccc2ncc(CN3CC[C@@H](Sc4cccc(Cl)c4)C3)n2c1 ZINC000430195605 1079856519 /nfs/dbraw/zinc/85/65/19/1079856519.db2.gz ONOCLLKTOFERMG-GOSISDBHSA-N 0 1 368.893 4.226 20 30 FIEDMN CCN(C(=O)c1cc(-c2cccs2)[nH]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000097698083 1080074717 /nfs/dbraw/zinc/07/47/17/1080074717.db2.gz TWSPCMLWTZHEGN-ZDUSSCGKSA-N 0 1 350.447 4.233 20 30 FIEDMN Cc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1 ZINC000047371878 1080296686 /nfs/dbraw/zinc/29/66/86/1080296686.db2.gz SGNKHZSBNJXZTI-OAHLLOKOSA-N 0 1 370.334 4.085 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1 ZINC000047371878 1080296695 /nfs/dbraw/zinc/29/66/95/1080296695.db2.gz SGNKHZSBNJXZTI-OAHLLOKOSA-N 0 1 370.334 4.085 20 30 FIEDMN C=CCCCCCCCN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC001209439664 1080692339 /nfs/dbraw/zinc/69/23/39/1080692339.db2.gz VEEJQOMKMBIZJE-UHFFFAOYSA-N 0 1 371.569 4.386 20 30 FIEDMN Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000547822271 1080932930 /nfs/dbraw/zinc/93/29/30/1080932930.db2.gz ZCTFQZFEBYBRJR-UHFFFAOYSA-N 0 1 364.854 4.108 20 30 FIEDMN C=CCN1C(=O)N=NC1S[C@H](CC)c1ccc(Br)cc1 ZINC000471373896 1081019170 /nfs/dbraw/zinc/01/91/70/1081019170.db2.gz UHDNWFDSUJCPBY-GFCCVEGCSA-N 0 1 354.273 4.176 20 30 FIEDMN CCOc1ccccc1Oc1ccc(CNCc2ccc(C#N)s2)cn1 ZINC000176950736 1081170963 /nfs/dbraw/zinc/17/09/63/1081170963.db2.gz BTACHAALHQIBRN-UHFFFAOYSA-N 0 1 365.458 4.496 20 30 FIEDMN COc1cccc(Oc2ccc(CNCc3ccc(C#N)s3)cn2)c1 ZINC000176949597 1081172057 /nfs/dbraw/zinc/17/20/57/1081172057.db2.gz JFKYBXFLBZHDMK-UHFFFAOYSA-N 0 1 351.431 4.105 20 30 FIEDMN CN(C)C(=O)c1cc(N=Cc2cc(Cl)cc(Cl)c2O)ccc1F ZINC000255126203 1081297345 /nfs/dbraw/zinc/29/73/45/1081297345.db2.gz NPVDKNZFFWEWMJ-UHFFFAOYSA-N 0 1 355.196 4.291 20 30 FIEDMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cccc(F)c1 ZINC000063497541 1081367194 /nfs/dbraw/zinc/36/71/94/1081367194.db2.gz WQLHPLMURVZSGG-UHFFFAOYSA-N 0 1 361.174 4.010 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1)c1cccc(C#N)c1 ZINC000610346236 1081501039 /nfs/dbraw/zinc/50/10/39/1081501039.db2.gz PUXFRAJSWVGOEH-PMPSAXMXSA-N 0 1 361.445 4.221 20 30 FIEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000610346007 1081501126 /nfs/dbraw/zinc/50/11/26/1081501126.db2.gz HGJVEEFINUNTDY-KKUMJFAQSA-N 0 1 355.869 4.128 20 30 FIEDMN C[C@@H](NC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000610346006 1081501257 /nfs/dbraw/zinc/50/12/57/1081501257.db2.gz HGJVEEFINUNTDY-KFWWJZLASA-N 0 1 355.869 4.128 20 30 FIEDMN CCOc1ccc(Oc2cc(CNCc3cc(C#N)cs3)ccn2)cc1 ZINC000177687500 1081529414 /nfs/dbraw/zinc/52/94/14/1081529414.db2.gz RUAMSVKHNJYNQZ-UHFFFAOYSA-N 0 1 365.458 4.496 20 30 FIEDMN CCO[C@H]1C[C@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1(CC)CC ZINC000083249218 1081561659 /nfs/dbraw/zinc/56/16/59/1081561659.db2.gz VFKZCTMKYGAVBD-ROUUACIJSA-N 0 1 368.481 4.024 20 30 FIEDMN CCc1cccc(NC(=O)C/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000748147846 1081589111 /nfs/dbraw/zinc/58/91/11/1081589111.db2.gz JWADHXBDTTZQQL-AWQFTUOYSA-N 0 1 351.233 4.319 20 30 FIEDMN N#Cc1ccccc1NC(=O)CCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000177721745 1081611511 /nfs/dbraw/zinc/61/15/11/1081611511.db2.gz ADOIXEDBBWAXMH-UHFFFAOYSA-N 0 1 371.440 4.205 20 30 FIEDMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)CC(=O)Nc1sccc1C#N ZINC000177742060 1081788178 /nfs/dbraw/zinc/78/81/78/1081788178.db2.gz SMZOYCACTKSDLB-CHWSQXEVSA-N 0 1 361.898 4.336 20 30 FIEDMN CCCCCCCCN1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC001167391939 1081920848 /nfs/dbraw/zinc/92/08/48/1081920848.db2.gz PCFIBIVBVXVNJO-HXUWFJFHSA-N 0 1 360.542 4.267 20 30 FIEDMN N#Cc1ccc(OC2CCN(Cc3ccc4occc4c3)CC2)c(F)c1 ZINC000579647579 1081956375 /nfs/dbraw/zinc/95/63/75/1081956375.db2.gz PEKQJVZNLTYHCO-UHFFFAOYSA-N 0 1 350.393 4.487 20 30 FIEDMN Cc1c(Cl)cnc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1C#N ZINC000579792773 1082096292 /nfs/dbraw/zinc/09/62/92/1082096292.db2.gz VOJATFPOTKFUQK-JTQLQIEISA-N 0 1 369.778 4.041 20 30 FIEDMN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1c(F)cccc1Cl)C2 ZINC001203400263 1082135238 /nfs/dbraw/zinc/13/52/38/1082135238.db2.gz VWWJHICIAWEPKX-RTBURBONSA-N 0 1 353.865 4.053 20 30 FIEDMN O=C1N/C(=N/C2CCCC2)S/C1=C/c1cc(Cl)c(O)cc1Cl ZINC000134371464 1082235758 /nfs/dbraw/zinc/23/57/58/1082235758.db2.gz QXXOTKRHQGNLAR-AWNIVKPZSA-N 0 1 357.262 4.202 20 30 FIEDMN N#Cc1cccc(CN[C@@H]2CCCOc3ccc(Br)cc32)c1 ZINC000177897245 1082293844 /nfs/dbraw/zinc/29/38/44/1082293844.db2.gz FLYKUDXTTQHFEU-QGZVFWFLSA-N 0 1 357.251 4.324 20 30 FIEDMN CCCNc1ccc(C#N)cc1NC(=O)c1ccc(CN(CC)CC)o1 ZINC000610492421 1082424340 /nfs/dbraw/zinc/42/43/40/1082424340.db2.gz GZVUSJLLVLESBF-UHFFFAOYSA-N 0 1 354.454 4.067 20 30 FIEDMN N#Cc1cccc(COc2cccc(NC(=O)c3cccc4nc[nH]c43)c2)c1 ZINC000157896311 1082805052 /nfs/dbraw/zinc/80/50/52/1082805052.db2.gz XBDIRAPZDNJZJL-UHFFFAOYSA-N 0 1 368.396 4.266 20 30 FIEDMN CC(C)(C)c1cc(NC(=O)c2cc(-c3ccccn3)no2)c(C#N)s1 ZINC000538073463 1082912886 /nfs/dbraw/zinc/91/28/86/1082912886.db2.gz AHRREEXFZACTIA-UHFFFAOYSA-N 0 1 352.419 4.220 20 30 FIEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2cc(N(C)C)nc3ccccc32)n1 ZINC000156454740 1082927058 /nfs/dbraw/zinc/92/70/58/1082927058.db2.gz COWRKTKIBXCONM-HNNXBMFYSA-N 0 1 364.474 4.371 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cc(N(C)C)nc3ccccc32)n1 ZINC000156454740 1082927061 /nfs/dbraw/zinc/92/70/61/1082927061.db2.gz COWRKTKIBXCONM-HNNXBMFYSA-N 0 1 364.474 4.371 20 30 FIEDMN C#CCOc1ccc([C@H](C)NCc2cccc(C(=O)N[C@H](C)CC)c2)cc1 ZINC000161073860 1083075240 /nfs/dbraw/zinc/07/52/40/1083075240.db2.gz NTIRLZOYPYIYCO-MSOLQXFVSA-N 0 1 364.489 4.078 20 30 FIEDMN N#Cc1cccc(OC2CCN(Cc3cc4cc(F)ccc4o3)CC2)c1 ZINC000510522475 1083135970 /nfs/dbraw/zinc/13/59/70/1083135970.db2.gz IGJWZLVFRVSWDN-UHFFFAOYSA-N 0 1 350.393 4.487 20 30 FIEDMN C=C(C)CN(CC)C(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC ZINC000518460102 1083206705 /nfs/dbraw/zinc/20/67/05/1083206705.db2.gz FWBPQUSUMIWSGV-SFHVURJKSA-N 0 1 351.922 4.331 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000610598339 1083255119 /nfs/dbraw/zinc/25/51/19/1083255119.db2.gz POLIZXWWOAITLM-WOJBJXKFSA-N 0 1 365.477 4.033 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000610598338 1083255245 /nfs/dbraw/zinc/25/52/45/1083255245.db2.gz POLIZXWWOAITLM-VQTJNVASSA-N 0 1 365.477 4.033 20 30 FIEDMN C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000471894565 1083269288 /nfs/dbraw/zinc/26/92/88/1083269288.db2.gz DRUJWJJOJHEUPK-UHFFFAOYSA-N 0 1 369.484 4.175 20 30 FIEDMN C=CCOc1ccc(-c2nnc(SCc3n[nH]c(C(C)(C)C)n3)o2)cc1 ZINC000430986863 1083288861 /nfs/dbraw/zinc/28/88/61/1083288861.db2.gz FGXWDGQTEBYJHL-UHFFFAOYSA-N 0 1 371.466 4.009 20 30 FIEDMN N#Cc1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000610661710 1083304669 /nfs/dbraw/zinc/30/46/69/1083304669.db2.gz PWZQMJRPDHKJKR-UHFFFAOYSA-N 0 1 370.840 4.196 20 30 FIEDMN N#CC(C(=O)c1ccc(F)c(Br)c1)c1nc(C2CC2)cs1 ZINC000647378388 1083367960 /nfs/dbraw/zinc/36/79/60/1083367960.db2.gz VHJZZERNTHYGTI-SNVBAGLBSA-N 0 1 365.227 4.412 20 30 FIEDMN COc1ccc(CNC(C)(C)c2ccccc2Br)cc1C#N ZINC000179328741 1083380378 /nfs/dbraw/zinc/38/03/78/1083380378.db2.gz YJILRJYWMIFVBX-UHFFFAOYSA-N 0 1 359.267 4.354 20 30 FIEDMN Cc1cc(N[C@H](C)c2n[nH]c(C(C)C)n2)n2c3ccccc3nc2c1C#N ZINC000535691704 1083582601 /nfs/dbraw/zinc/58/26/01/1083582601.db2.gz KHRJEWZAGRZVLT-CYBMUJFWSA-N 0 1 359.437 4.082 20 30 FIEDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1OC(F)F ZINC000179714140 1083609332 /nfs/dbraw/zinc/60/93/32/1083609332.db2.gz KTVMBMPTTSVXFN-BBRMVZONSA-N 0 1 373.403 4.228 20 30 FIEDMN C[C@H](NCC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000548936633 1083868301 /nfs/dbraw/zinc/86/83/01/1083868301.db2.gz IXKPXIYUQVRYSW-INIZCTEOSA-N 0 1 367.468 4.175 20 30 FIEDMN COc1ccccc1CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000179926044 1083902917 /nfs/dbraw/zinc/90/29/17/1083902917.db2.gz IONKKYUFBVGWOY-UHFFFAOYSA-N 0 1 372.472 4.132 20 30 FIEDMN CC(N=Nc1ccc(Br)cc1F)c1ccc2c(c1)OCO2 ZINC000728432931 1084083184 /nfs/dbraw/zinc/08/31/84/1084083184.db2.gz JGQBNAIQWBYDAR-UHFFFAOYSA-N 0 1 351.175 4.153 20 30 FIEDMN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1csc(C#N)c1 ZINC000892116057 1084329316 /nfs/dbraw/zinc/32/93/16/1084329316.db2.gz YXRWMDKAVMUXEQ-MQVJKMGUSA-N 0 1 361.511 4.030 20 30 FIEDMN COc1ccc(C#N)cc1CN[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000180088695 1084344983 /nfs/dbraw/zinc/34/49/83/1084344983.db2.gz MGBYIZPKOCCDEU-MRXNPFEDSA-N 0 1 368.477 4.461 20 30 FIEDMN N#Cc1ccc(C[N@H+](CCn2ccnc2)Cc2cccc(Cl)c2)cc1 ZINC000580603025 1084450364 /nfs/dbraw/zinc/45/03/64/1084450364.db2.gz QLXNMXOWLYCMIY-UHFFFAOYSA-N 0 1 350.853 4.111 20 30 FIEDMN N#Cc1ccc(CN(CCn2ccnc2)Cc2cccc(Cl)c2)cc1 ZINC000580603025 1084450373 /nfs/dbraw/zinc/45/03/73/1084450373.db2.gz QLXNMXOWLYCMIY-UHFFFAOYSA-N 0 1 350.853 4.111 20 30 FIEDMN COc1ccc(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)c(O)c1 ZINC000255475848 1084500774 /nfs/dbraw/zinc/50/07/74/1084500774.db2.gz XLWAEJVJSJTZMW-DAXSKMNVSA-N 0 1 371.824 4.276 20 30 FIEDMN COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(Cl)c3)n2)cc1 ZINC000066543523 1084637550 /nfs/dbraw/zinc/63/75/50/1084637550.db2.gz IBLZBMDDAJWJHP-CQSZACIVSA-N 0 1 369.833 4.357 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccnc(Cl)c3)n2)cc1 ZINC000066543523 1084637551 /nfs/dbraw/zinc/63/75/51/1084637551.db2.gz IBLZBMDDAJWJHP-CQSZACIVSA-N 0 1 369.833 4.357 20 30 FIEDMN COc1ccc2oc([C@@H](C)NCc3cnc4ccc(C#N)cn34)c(C)c2c1 ZINC000551529508 1084668470 /nfs/dbraw/zinc/66/84/70/1084668470.db2.gz DUJPUSAGPKKYHU-CQSZACIVSA-N 0 1 360.417 4.120 20 30 FIEDMN N#CC(C(=O)CC1CCSCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000134976397 1084694413 /nfs/dbraw/zinc/69/44/13/1084694413.db2.gz WFADEPPHFRSXSC-GFCCVEGCSA-N 0 1 371.289 4.174 20 30 FIEDMN C=CCOc1ccc(CN[C@@H](c2ccncc2)C2(CO)CCC2)cc1Cl ZINC000668817164 1084719733 /nfs/dbraw/zinc/71/97/33/1084719733.db2.gz GVQORZVNBJPUQI-FQEVSTJZSA-N 0 1 372.896 4.293 20 30 FIEDMN CC(C)(C)c1ccc(C#N)c(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)n1 ZINC000613427802 1084724537 /nfs/dbraw/zinc/72/45/37/1084724537.db2.gz ORLJLEYHBYZROB-KRWDZBQOSA-N 0 1 372.476 4.377 20 30 FIEDMN CC(C)(C)c1ccc(C#N)c(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)n1 ZINC000613427802 1084724542 /nfs/dbraw/zinc/72/45/42/1084724542.db2.gz ORLJLEYHBYZROB-KRWDZBQOSA-N 0 1 372.476 4.377 20 30 FIEDMN CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)n1 ZINC000613427812 1084724716 /nfs/dbraw/zinc/72/47/16/1084724716.db2.gz ORLJLEYHBYZROB-QGZVFWFLSA-N 0 1 372.476 4.377 20 30 FIEDMN CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)n1 ZINC000613427812 1084724719 /nfs/dbraw/zinc/72/47/19/1084724719.db2.gz ORLJLEYHBYZROB-QGZVFWFLSA-N 0 1 372.476 4.377 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000540707642 1084888918 /nfs/dbraw/zinc/88/89/18/1084888918.db2.gz AVQAKLYCAHPQKQ-HUUCEWRRSA-N 0 1 351.425 4.236 20 30 FIEDMN CCCCCCCCCN1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC001167772691 1085226702 /nfs/dbraw/zinc/22/67/02/1085226702.db2.gz XHEUPLJFQDTGPU-UHFFFAOYSA-N 0 1 350.551 4.235 20 30 FIEDMN Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1C ZINC000684948500 1085285817 /nfs/dbraw/zinc/28/58/17/1085285817.db2.gz MNEOXKVSDXYNEV-LBPRGKRZSA-N 0 1 357.385 4.225 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1C ZINC000684948500 1085285841 /nfs/dbraw/zinc/28/58/41/1085285841.db2.gz MNEOXKVSDXYNEV-LBPRGKRZSA-N 0 1 357.385 4.225 20 30 FIEDMN Fc1cccc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1OC(F)F ZINC000660913487 1085313313 /nfs/dbraw/zinc/31/33/13/1085313313.db2.gz QYPVSGJIJWLXSE-UHFFFAOYSA-N 0 1 357.269 4.294 20 30 FIEDMN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000661114380 1085395269 /nfs/dbraw/zinc/39/52/69/1085395269.db2.gz GEVJMDBAHKHBSS-GOEBONIOSA-N 0 1 356.495 4.015 20 30 FIEDMN N#CCC[C@@H](C#N)CNCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000594553264 1085556539 /nfs/dbraw/zinc/55/65/39/1085556539.db2.gz QEAICTOVDBCQNT-AWEZNQCLSA-N 0 1 351.372 4.040 20 30 FIEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000796796989 1085628646 /nfs/dbraw/zinc/62/86/46/1085628646.db2.gz GFLYAUSRYIHOQZ-LBPRGKRZSA-N 0 1 366.364 4.290 20 30 FIEDMN CCCOc1c(CNCc2ccc(C#N)c(OC)c2)cccc1OCC ZINC000582777692 1085705349 /nfs/dbraw/zinc/70/53/49/1085705349.db2.gz XDNSGRKSTDFHCZ-UHFFFAOYSA-N 0 1 354.450 4.044 20 30 FIEDMN COc1cccc(C(=O)C(C#N)c2nc3ccccc3s2)c1OC(F)F ZINC000048822895 1085706107 /nfs/dbraw/zinc/70/61/07/1085706107.db2.gz RKDNGYNDHIVRIX-LLVKDONJSA-N 0 1 374.368 4.396 20 30 FIEDMN C=CCOc1c(Cl)cc(CN2CCC[C@@H](COCC)C2)cc1OC ZINC000628175553 1085876555 /nfs/dbraw/zinc/87/65/55/1085876555.db2.gz BDFUNGNOTHPRTM-OAHLLOKOSA-N 0 1 353.890 4.162 20 30 FIEDMN C=C(C)[C@H](CC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)OCC ZINC000535920312 1086098773 /nfs/dbraw/zinc/09/87/73/1086098773.db2.gz ZTVMBTBWVXRTAW-RBBKRZOGSA-N 0 1 363.461 4.140 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000662085366 1086111970 /nfs/dbraw/zinc/11/19/70/1086111970.db2.gz FTVXZLJBMJQIIE-KDURUIRLSA-N 0 1 367.518 4.316 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(C(=O)C=Cc4ccccc4C#N)C3)[nH]c2c1 ZINC000255567683 1086157759 /nfs/dbraw/zinc/15/77/59/1086157759.db2.gz NMAVWPYFLDIXFL-JQYPEGPJSA-N 0 1 370.456 4.162 20 30 FIEDMN C=CCOc1ccccc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000161528030 1086182827 /nfs/dbraw/zinc/18/28/27/1086182827.db2.gz KWNDLPUEAVAULY-QGZVFWFLSA-N 0 1 370.468 4.078 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)[nH]c2c1 ZINC000583130325 1086248676 /nfs/dbraw/zinc/24/86/76/1086248676.db2.gz JZWQPEIIBXOOBO-WAOWUJCRSA-N 0 1 370.456 4.210 20 30 FIEDMN FC(F)(F)c1cccc(N=NCc2cc(Br)cs2)n1 ZINC000739420830 1086490667 /nfs/dbraw/zinc/49/06/67/1086490667.db2.gz AQFRJYQJYTVFBS-UHFFFAOYSA-N 0 1 350.163 4.370 20 30 FIEDMN C=C(CCc1nc(-c2ccc(N3CCN(C)CC3)cc2)no1)c1ccccc1 ZINC001211694584 1086500179 /nfs/dbraw/zinc/50/01/79/1086500179.db2.gz SKURDMOVQQBFHL-UHFFFAOYSA-N 0 1 374.488 4.134 20 30 FIEDMN N#CC(C(=O)c1cnn(CCF)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000685142978 1086722434 /nfs/dbraw/zinc/72/24/34/1086722434.db2.gz BROFRLMBJZJNBP-CQSZACIVSA-N 0 1 374.828 4.120 20 30 FIEDMN C=C(C)CN(CC)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245735127 1086841954 /nfs/dbraw/zinc/84/19/54/1086841954.db2.gz UOTSCZGIMUQEJT-YJBOKZPZSA-N 0 1 367.896 4.080 20 30 FIEDMN C=C(C)CN(CC)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245735127 1086841964 /nfs/dbraw/zinc/84/19/64/1086841964.db2.gz UOTSCZGIMUQEJT-YJBOKZPZSA-N 0 1 367.896 4.080 20 30 FIEDMN C[C@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000472309567 1087124306 /nfs/dbraw/zinc/12/43/06/1087124306.db2.gz CDTSSQNCBBVWQP-DOTOQJQBSA-N 0 1 367.880 4.103 20 30 FIEDMN Cc1nc([C@@H]2CCCN(C(=O)N[C@@H]3CCc4c3cccc4O)C2)sc1C ZINC000329691062 1087193163 /nfs/dbraw/zinc/19/31/63/1087193163.db2.gz DJYKHVKJVXFWJV-RHSMWYFYSA-N 0 1 371.506 4.246 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N(C)CCCCc2ccccc2)c(C#N)c1C ZINC000053082858 1087520642 /nfs/dbraw/zinc/52/06/42/1087520642.db2.gz RHYHVMLTJFOZCJ-MRXNPFEDSA-N 0 1 353.466 4.050 20 30 FIEDMN Cc1cc(C)c(S(=O)(=O)Nc2cc(C#N)ccc2OC(C)C)c(C)c1 ZINC000511272910 1087537646 /nfs/dbraw/zinc/53/76/46/1087537646.db2.gz RSTLNLBCBNQIHD-UHFFFAOYSA-N 0 1 358.463 4.072 20 30 FIEDMN COc1cc(CN[C@@H](C)c2ccccn2)ccc1OCc1cccc(C#N)c1 ZINC000611935495 1087593126 /nfs/dbraw/zinc/59/31/26/1087593126.db2.gz UNOPATFAGZQSRD-KRWDZBQOSA-N 0 1 373.456 4.392 20 30 FIEDMN N#CCc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000544070370 1087595591 /nfs/dbraw/zinc/59/55/91/1087595591.db2.gz UYAKXOIUXAFPGU-UHFFFAOYSA-N 0 1 359.395 4.094 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(c2cccnc2)CC2(CCC2)C1 ZINC000892419294 1087689507 /nfs/dbraw/zinc/68/95/07/1087689507.db2.gz BPHCRDXPSAVGKK-KRWDZBQOSA-N 0 1 370.456 4.047 20 30 FIEDMN C[C@H](CN(C)Cc1ccc(C#N)cc1Br)c1nccs1 ZINC000183979285 1087812363 /nfs/dbraw/zinc/81/23/63/1087812363.db2.gz OHBPCEDXDLIOIC-LLVKDONJSA-N 0 1 350.285 4.013 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CC2)n1 ZINC000659115389 1088124588 /nfs/dbraw/zinc/12/45/88/1088124588.db2.gz XELUPGSZXAMAGG-CYBMUJFWSA-N 0 1 366.446 4.147 20 30 FIEDMN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424746686 1088199626 /nfs/dbraw/zinc/19/96/26/1088199626.db2.gz LTKFEMBTAMPZKG-RHSMWYFYSA-N 0 1 352.881 4.190 20 30 FIEDMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000115553583 1088368885 /nfs/dbraw/zinc/36/88/85/1088368885.db2.gz ZSOIYHDAJFZOFS-AEFFLSMTSA-N 0 1 365.502 4.119 20 30 FIEDMN C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)Nc1ccccc1SCC#N ZINC000115553583 1088368898 /nfs/dbraw/zinc/36/88/98/1088368898.db2.gz ZSOIYHDAJFZOFS-AEFFLSMTSA-N 0 1 365.502 4.119 20 30 FIEDMN N#Cc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000505355948 1088372206 /nfs/dbraw/zinc/37/22/06/1088372206.db2.gz OWEQTWKBVRHHOC-UHFFFAOYSA-N 0 1 357.457 4.058 20 30 FIEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000189472953 1088483084 /nfs/dbraw/zinc/48/30/84/1088483084.db2.gz XBBWBJTUXCENKY-UHFFFAOYSA-N 0 1 359.209 4.113 20 30 FIEDMN CC1(C)CCCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)[C@H]1C#N ZINC000434450889 1088618910 /nfs/dbraw/zinc/61/89/10/1088618910.db2.gz VLXPQBIAXLGBMC-INIZCTEOSA-N 0 1 364.474 4.446 20 30 FIEDMN N#Cc1ccc(CN[C@@H]2CCCc3ncc(Br)cc32)c(F)c1 ZINC000924978267 1088664381 /nfs/dbraw/zinc/66/43/81/1088664381.db2.gz FMFKKMDTZCZNCQ-MRXNPFEDSA-N 0 1 360.230 4.022 20 30 FIEDMN CC(C)COC1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000178919825 1088717303 /nfs/dbraw/zinc/71/73/03/1088717303.db2.gz OYBVOIBGXZUIRB-UHFFFAOYSA-N 0 1 355.400 4.074 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Nc3ccccc3C(F)(F)F)[nH]c21 ZINC000505439084 1088829111 /nfs/dbraw/zinc/82/91/11/1088829111.db2.gz UZSAEGZMSUDWSE-LLVKDONJSA-N 0 1 358.323 4.136 20 30 FIEDMN COc1ccc(C#N)cc1CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000435145873 1089346624 /nfs/dbraw/zinc/34/66/24/1089346624.db2.gz UQBVGVLVXGDCFM-SOFGYWHQSA-N 0 1 352.419 4.049 20 30 FIEDMN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000514976800 1089681884 /nfs/dbraw/zinc/68/18/84/1089681884.db2.gz DVUDEMUBOHSNAR-HXUWFJFHSA-N 0 1 367.880 4.206 20 30 FIEDMN CC[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1sccc1C#N ZINC000123323190 1090535441 /nfs/dbraw/zinc/53/54/41/1090535441.db2.gz ILQRTLKCFJXQKI-ZWKOTPCHSA-N 0 1 353.491 4.216 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2sccc2OC)ccc1OC ZINC000186211230 1090623796 /nfs/dbraw/zinc/62/37/96/1090623796.db2.gz MYNLFVSQMYCHIC-HIFRSBDPSA-N 0 1 360.479 4.297 20 30 FIEDMN COc1cccc(C2(F)CCN(Cc3ccc(OC)c(C#N)c3)CC2)c1 ZINC000500141312 1091065216 /nfs/dbraw/zinc/06/52/16/1091065216.db2.gz SKOXSOCNIWKXII-UHFFFAOYSA-N 0 1 354.425 4.036 20 30 FIEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000512214910 1091918984 /nfs/dbraw/zinc/91/89/84/1091918984.db2.gz XTOCKIGFGGSFTA-UHFFFAOYSA-N 0 1 365.477 4.153 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)c1cscc1C#N)c1ccccc1Cl ZINC000432552000 1091920847 /nfs/dbraw/zinc/92/08/47/1091920847.db2.gz BOGHPLDXJCNWBD-KRWDZBQOSA-N 0 1 361.898 4.086 20 30 FIEDMN C[C@H](C(=O)NC1CC1)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000328768018 1091920930 /nfs/dbraw/zinc/92/09/30/1091920930.db2.gz BNWZPXQHBJWCRE-CVEARBPZSA-N 0 1 374.529 4.269 20 30 FIEDMN C=CCC(C)(C)CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000432559429 1091932197 /nfs/dbraw/zinc/93/21/97/1091932197.db2.gz RXWJMRPSXQLCQA-UHFFFAOYSA-N 0 1 363.933 4.206 20 30 FIEDMN CC(C)(C#N)c1ccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 ZINC000279739293 1091998225 /nfs/dbraw/zinc/99/82/25/1091998225.db2.gz XBSHBVAIZWCPFZ-LJQANCHMSA-N 0 1 374.444 4.468 20 30 FIEDMN C=CCC[C@H](NC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1)c1ccccc1 ZINC000487412883 1092359958 /nfs/dbraw/zinc/35/99/58/1092359958.db2.gz RJFSLVKXEBUSPE-ZOBUZTSGSA-N 0 1 355.486 4.386 20 30 FIEDMN Cc1sc(Br)c(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c1C ZINC000441997188 1092367280 /nfs/dbraw/zinc/36/72/80/1092367280.db2.gz DTSQMFUIWFUYCS-SNVBAGLBSA-N 0 1 374.263 4.494 20 30 FIEDMN Cc1sc(Br)c(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000441997188 1092367292 /nfs/dbraw/zinc/36/72/92/1092367292.db2.gz DTSQMFUIWFUYCS-SNVBAGLBSA-N 0 1 374.263 4.494 20 30 FIEDMN CC(C)(C)Cc1nc(-c2ccc(C(=O)C(C#N)c3ccccn3)cc2)no1 ZINC000442659324 1092706574 /nfs/dbraw/zinc/70/65/74/1092706574.db2.gz QYUTYMZHLNZBHK-INIZCTEOSA-N 0 1 360.417 4.210 20 30 FIEDMN N#CCCCOc1cccc(CNCc2c(F)cccc2N2CCCC2)c1 ZINC000512542863 1092733628 /nfs/dbraw/zinc/73/36/28/1092733628.db2.gz WBPMVTDHWDXTNN-UHFFFAOYSA-N 0 1 367.468 4.398 20 30 FIEDMN C=C(C)CN(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442877435 1092832137 /nfs/dbraw/zinc/83/21/37/1092832137.db2.gz UKZVSBBQMSLLKI-HNNXBMFYSA-N 0 1 354.288 4.015 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1O ZINC000443057170 1092929540 /nfs/dbraw/zinc/92/95/40/1092929540.db2.gz IWXHYTICAUGYFH-UHFFFAOYSA-N 0 1 355.806 4.293 20 30 FIEDMN CCN(CCc1cccs1)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000521820740 1092938231 /nfs/dbraw/zinc/93/82/31/1092938231.db2.gz VEJCMUHCDQMNAE-UHFFFAOYSA-N 0 1 369.534 4.176 20 30 FIEDMN C[C@@H](NCc1cccc(COC2CCOCC2)c1)c1ccc(C#N)cc1F ZINC000512655311 1093083060 /nfs/dbraw/zinc/08/30/60/1093083060.db2.gz SWPXEGQFXQLGOG-MRXNPFEDSA-N 0 1 368.452 4.244 20 30 FIEDMN Cc1c(Cl)cccc1NC(=O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000512662384 1093100141 /nfs/dbraw/zinc/10/01/41/1093100141.db2.gz WVRGHIGGWAUHOM-CYBMUJFWSA-N 0 1 359.832 4.339 20 30 FIEDMN C[C@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1cccc(C#N)c1 ZINC000025215658 1093185971 /nfs/dbraw/zinc/18/59/71/1093185971.db2.gz DGYZWCNBZHOWLD-SJCJKPOMSA-N 0 1 371.893 4.365 20 30 FIEDMN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000522194723 1093196463 /nfs/dbraw/zinc/19/64/63/1093196463.db2.gz JEBPPRBMLHUKRE-ZDUSSCGKSA-N 0 1 360.417 4.108 20 30 FIEDMN C=CCOc1ccccc1CNCc1cc(F)cc(Br)c1 ZINC000550503845 1093219681 /nfs/dbraw/zinc/21/96/81/1093219681.db2.gz DOHIFTZEINZWDI-UHFFFAOYSA-N 0 1 350.231 4.443 20 30 FIEDMN COC(=O)c1ccc(-c2ccc(CN[C@@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000614242988 1093281585 /nfs/dbraw/zinc/28/15/85/1093281585.db2.gz RGNAXEGEWADTON-HNNXBMFYSA-N 0 1 360.413 4.456 20 30 FIEDMN N#CCCN(Cc1ccco1)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000094074055 1093289670 /nfs/dbraw/zinc/28/96/70/1093289670.db2.gz DRLGKDUVDSFLOQ-UHFFFAOYSA-N 0 1 354.793 4.348 20 30 FIEDMN COc1ccc(C)cc1CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512801634 1093359665 /nfs/dbraw/zinc/35/96/65/1093359665.db2.gz MWOHCFVUZRFYOD-UHFFFAOYSA-N 0 1 354.425 4.058 20 30 FIEDMN C=CCC[C@@H](O)CN1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000433305500 1093560360 /nfs/dbraw/zinc/56/03/60/1093560360.db2.gz PQYDEKZCBDNMTD-IAGOWNOFSA-N 0 1 357.416 4.184 20 30 FIEDMN CSc1cccc(C)c1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000185339410 1093708733 /nfs/dbraw/zinc/70/87/33/1093708733.db2.gz CHPQEWQCXLKZTQ-UHFFFAOYSA-N 0 1 352.868 4.043 20 30 FIEDMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2cccc(C#N)c2F)n1 ZINC000513253249 1094038768 /nfs/dbraw/zinc/03/87/68/1094038768.db2.gz WVRXCAWZBKSZMM-UHFFFAOYSA-N 0 1 374.828 4.437 20 30 FIEDMN CCN(CC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000054339900 1094423707 /nfs/dbraw/zinc/42/37/07/1094423707.db2.gz QIYJNFWXGNESLD-GOSISDBHSA-N 0 1 365.477 4.025 20 30 FIEDMN C=CCOc1cccc(CNc2ccc3c(c2)nc(C)n3[C@H](C)CO)c1 ZINC000419756740 1094584929 /nfs/dbraw/zinc/58/49/29/1094584929.db2.gz BHOCKTMGQFBZMJ-OAHLLOKOSA-N 0 1 351.450 4.075 20 30 FIEDMN O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329051567 1094723912 /nfs/dbraw/zinc/72/39/12/1094723912.db2.gz WOBBZVHISJMJRY-KSSFIOAISA-N 0 1 358.873 4.451 20 30 FIEDMN O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329051567 1094723923 /nfs/dbraw/zinc/72/39/23/1094723923.db2.gz WOBBZVHISJMJRY-KSSFIOAISA-N 0 1 358.873 4.451 20 30 FIEDMN CC1(C)CC[C@H](CNC(=O)N2CCC(c3cnc[nH]3)CC2)c2ccccc21 ZINC000329084711 1094733505 /nfs/dbraw/zinc/73/35/05/1094733505.db2.gz FWSHOJIOBZMMER-QGZVFWFLSA-N 0 1 366.509 4.358 20 30 FIEDMN CN(CCn1cccn1)C([O-])=[NH+][C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000329184643 1094771850 /nfs/dbraw/zinc/77/18/50/1094771850.db2.gz AFIJOOVOEYCTRC-MAUKXSAKSA-N 0 1 352.482 4.029 20 30 FIEDMN Cc1nn(-c2ccccc2)cc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000513718597 1094785718 /nfs/dbraw/zinc/78/57/18/1094785718.db2.gz ZTJGEQQMHSVSCJ-UHFFFAOYSA-N 0 1 372.472 4.096 20 30 FIEDMN O=C(N[C@@H](CC1CCC1)c1ccccc1)N1CCC(c2cnc[nH]2)CC1 ZINC000329292264 1094823725 /nfs/dbraw/zinc/82/37/25/1094823725.db2.gz RCPLLMDEYRFCGF-IBGZPJMESA-N 0 1 352.482 4.435 20 30 FIEDMN O=C(Nc1ncc(C2CCCCC2)s1)N1CCC(c2cnc[nH]2)CC1 ZINC000329437068 1094905237 /nfs/dbraw/zinc/90/52/37/1094905237.db2.gz JFAZTNPPMPDOFC-UHFFFAOYSA-N 0 1 359.499 4.339 20 30 FIEDMN Cc1nc([C@H]2CCCN(C(=O)Nc3cc(C4CC4)ccn3)C2)sc1C ZINC000329442677 1094909834 /nfs/dbraw/zinc/90/98/34/1094909834.db2.gz ARBGIFBMZDCVQQ-INIZCTEOSA-N 0 1 356.495 4.457 20 30 FIEDMN CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000329476836 1094926524 /nfs/dbraw/zinc/92/65/24/1094926524.db2.gz UFVVTXDMXUOAIX-MCIONIFRSA-N 0 1 358.408 4.032 20 30 FIEDMN CC(C)(C)CN1CCC[C@@H](N2CCC(C(=O)Nc3ccccc3)CC2)C1=O ZINC000329744697 1095247371 /nfs/dbraw/zinc/24/73/71/1095247371.db2.gz QVQDOFQYKGEJTD-LJQANCHMSA-N 0 1 371.525 4.024 20 30 FIEDMN Cc1nc(C2CC2)oc1C(=O)Nc1cc(CN2CCSCC2)ccc1C ZINC000329769129 1095258980 /nfs/dbraw/zinc/25/89/80/1095258980.db2.gz FDPIXMCUTFGPPM-UHFFFAOYSA-N 0 1 371.506 4.354 20 30 FIEDMN [O-]C(=[NH+][C@H]1CCCCC12CCCC2)N1CCC[C@H]1Cn1cc(C2CC2)nn1 ZINC000329821378 1095278845 /nfs/dbraw/zinc/27/88/45/1095278845.db2.gz PTTAMWOITWTBJU-HKUYNNGSSA-N 0 1 371.529 4.037 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+][C@H]2CCC(C)(C)C2)CC1 ZINC000329961598 1095330833 /nfs/dbraw/zinc/33/08/33/1095330833.db2.gz OSDGVECHDUGIAK-INIZCTEOSA-N 0 1 354.498 4.474 20 30 FIEDMN O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330101387 1095382875 /nfs/dbraw/zinc/38/28/75/1095382875.db2.gz FMLKXVLZSCERLJ-MSOLQXFVSA-N 0 1 356.445 4.361 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC(=Cc2ccccc2F)CC1 ZINC000330152029 1095396415 /nfs/dbraw/zinc/39/64/15/1095396415.db2.gz WLOVBJGGXBTOKH-GOSISDBHSA-N 0 1 354.429 4.020 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC(CCc2ccccc2)CC1 ZINC000330155996 1095396631 /nfs/dbraw/zinc/39/66/31/1095396631.db2.gz YPYRMZMMEQFNHX-LJQANCHMSA-N 0 1 352.482 4.046 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC(c2cccc3ccccc32)CC1 ZINC000330177319 1095402332 /nfs/dbraw/zinc/40/23/32/1095402332.db2.gz CWPZTHJPONRNJC-LJQANCHMSA-N 0 1 374.488 4.145 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NC[C@H]3CCCCC(F)(F)C3)C2)n[nH]1 ZINC000330196852 1095413908 /nfs/dbraw/zinc/41/39/08/1095413908.db2.gz QZAYCQGJSRMXRX-LSDHHAIUSA-N 0 1 354.445 4.027 20 30 FIEDMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)NC1CCCCCC1 ZINC000330222549 1095424540 /nfs/dbraw/zinc/42/45/40/1095424540.db2.gz RXKDFTUHJURQGF-MJGOQNOKSA-N 0 1 352.425 4.064 20 30 FIEDMN Cc1ccc(NC(=O)[C@@H]2CCCN2C2CC2)cc1OCC1CCOCC1 ZINC000330247174 1095433667 /nfs/dbraw/zinc/43/36/67/1095433667.db2.gz YRONUCYLNWQYPC-IBGZPJMESA-N 0 1 358.482 4.015 20 30 FIEDMN Cc1cc(CNCc2ccc(OCCOc3ccccc3)nc2)ccc1C#N ZINC000443985959 1095571970 /nfs/dbraw/zinc/57/19/70/1095571970.db2.gz FKKHAXRVZPDINZ-UHFFFAOYSA-N 0 1 373.456 4.009 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cnc(-c4ccccc4)s3)[nH]c21 ZINC000522830734 1095750409 /nfs/dbraw/zinc/75/04/09/1095750409.db2.gz UEMXRUOWWFBUQZ-CQSZACIVSA-N 0 1 358.426 4.485 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](C#N)CCc3ccccc3)[nH]c2c1 ZINC000435930249 1098567819 /nfs/dbraw/zinc/56/78/19/1098567819.db2.gz WRVZYJNAFDHURV-NQIIRXRSSA-N 0 1 372.472 4.307 20 30 FIEDMN Cc1[nH]c2ccccc2c1C1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000532924881 1098594177 /nfs/dbraw/zinc/59/41/77/1098594177.db2.gz VRSWCKKUWSYGMM-UHFFFAOYSA-N 0 1 372.472 4.166 20 30 FIEDMN COc1ccc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1C#N ZINC000533009969 1098663834 /nfs/dbraw/zinc/66/38/34/1098663834.db2.gz UYORMZHOULVGCC-UHFFFAOYSA-N 0 1 356.838 4.298 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CNC1(c2ccc(F)cc2)CC1 ZINC000533068449 1098735868 /nfs/dbraw/zinc/73/58/68/1098735868.db2.gz OQMMXEKTSUFXDP-UHFFFAOYSA-N 0 1 356.466 4.321 20 30 FIEDMN N#CC(C(=O)Nc1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000505761204 1098745682 /nfs/dbraw/zinc/74/56/82/1098745682.db2.gz DSXDDCCJTFXHTB-SNVBAGLBSA-N 0 1 350.428 4.152 20 30 FIEDMN C=C(C)COc1cc(CNc2ccc3c(c2)nc(C)n3C)ccc1OC ZINC000533216657 1098881021 /nfs/dbraw/zinc/88/10/21/1098881021.db2.gz PBNMUZVYEQDHKW-UHFFFAOYSA-N 0 1 351.450 4.457 20 30 FIEDMN N#Cc1ccccc1CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000533504185 1099111202 /nfs/dbraw/zinc/11/12/02/1099111202.db2.gz DUPJWVPDVVDICP-SFHVURJKSA-N 0 1 362.408 4.127 20 30 FIEDMN N#Cc1cnc2ccccc2c1N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000516143275 1099224598 /nfs/dbraw/zinc/22/45/98/1099224598.db2.gz AOPSCPGIJLSIFU-LBPRGKRZSA-N 0 1 371.366 4.232 20 30 FIEDMN CCOc1nc2cc(C(=O)C(C#N)c3nc4ccccc4s3)ccc2[nH]1 ZINC000436696959 1099230005 /nfs/dbraw/zinc/23/00/05/1099230005.db2.gz KDIUGSUXYVINQB-GFCCVEGCSA-N 0 1 362.414 4.061 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(C#N)cc3)n2)cc1 ZINC000516269911 1099335034 /nfs/dbraw/zinc/33/50/34/1099335034.db2.gz DFWYSWVGFYXZAY-QGZVFWFLSA-N 0 1 359.410 4.180 20 30 FIEDMN N#Cc1ccccc1COc1cccc(C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000505907087 1099466050 /nfs/dbraw/zinc/46/60/50/1099466050.db2.gz JHGFGZHQTJMBBA-UHFFFAOYSA-N 0 1 372.468 4.132 20 30 FIEDMN O=C(Nc1nnc(C(F)F)s1)c1c(F)cc(C(F)(F)F)cc1F ZINC000516605863 1099636168 /nfs/dbraw/zinc/63/61/68/1099636168.db2.gz VNIBKJOIXZJHCK-UHFFFAOYSA-N 0 1 359.226 4.025 20 30 FIEDMN N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611608773 1099713963 /nfs/dbraw/zinc/71/39/63/1099713963.db2.gz BLAFGCBQHVTBEQ-FQEVSTJZSA-N 0 1 372.415 4.341 20 30 FIEDMN N#Cc1ccccc1COc1cccc(CN2CCC[C@H](OC(F)F)C2)c1 ZINC000611608773 1099713973 /nfs/dbraw/zinc/71/39/73/1099713973.db2.gz BLAFGCBQHVTBEQ-FQEVSTJZSA-N 0 1 372.415 4.341 20 30 FIEDMN N#Cc1cccc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c1 ZINC000437530539 1099972121 /nfs/dbraw/zinc/97/21/21/1099972121.db2.gz ZPUZIXPLRGICPK-UHFFFAOYSA-N 0 1 365.396 4.263 20 30 FIEDMN N#Cc1cccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1 ZINC000437530539 1099972126 /nfs/dbraw/zinc/97/21/26/1099972126.db2.gz ZPUZIXPLRGICPK-UHFFFAOYSA-N 0 1 365.396 4.263 20 30 FIEDMN N#Cc1ccc(CN2CCCN(Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000437573764 1099995319 /nfs/dbraw/zinc/99/53/19/1099995319.db2.gz AMHBJUORCWBEFF-UHFFFAOYSA-N 0 1 357.860 4.059 20 30 FIEDMN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2 ZINC000536875285 1100395627 /nfs/dbraw/zinc/39/56/27/1100395627.db2.gz HVVBAHWZSCQDRY-AWEZNQCLSA-N 0 1 361.363 4.179 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000517562566 1100500347 /nfs/dbraw/zinc/50/03/47/1100500347.db2.gz UEFBEJORWPBWDY-BQFCYCMXSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000517562566 1100500354 /nfs/dbraw/zinc/50/03/54/1100500354.db2.gz UEFBEJORWPBWDY-BQFCYCMXSA-N 0 1 357.523 4.141 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H]2CCOc3c(F)cccc32)ccc1OC ZINC000438465728 1100677758 /nfs/dbraw/zinc/67/77/58/1100677758.db2.gz MPUWJZJCBUZOEJ-GOSISDBHSA-N 0 1 357.425 4.403 20 30 FIEDMN Nc1cn2ccc(=NC3=C(c4ccccc4)C(=O)c4ccccc43)cc2[nH]1 ZINC001168407175 1100965708 /nfs/dbraw/zinc/96/57/08/1100965708.db2.gz ABOCVPVXRWPJBY-UHFFFAOYSA-N 0 1 352.397 4.093 20 30 FIEDMN CCCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2OC)cc1OC ZINC000537050942 1101425597 /nfs/dbraw/zinc/42/55/97/1101425597.db2.gz FKNCJQUQBIYZRE-OAHLLOKOSA-N 0 1 354.450 4.215 20 30 FIEDMN C[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000439448837 1101451914 /nfs/dbraw/zinc/45/19/14/1101451914.db2.gz UJOLVUDFOAQJHJ-ZDUSSCGKSA-N 0 1 353.853 4.411 20 30 FIEDMN COc1cc(C#N)ccc1CNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475718735 1101482364 /nfs/dbraw/zinc/48/23/64/1101482364.db2.gz RIPXGJRRMPAGDS-UHFFFAOYSA-N 0 1 364.367 4.490 20 30 FIEDMN CC[C@H]1Oc2cc([C@@H](C)NCC#Cc3cccc(Cl)c3)ccc2NC1=O ZINC000537154365 1101500126 /nfs/dbraw/zinc/50/01/26/1101500126.db2.gz IWLSBBKCCFLBQS-AUUYWEPGSA-N 0 1 368.864 4.152 20 30 FIEDMN Cc1sc(NC(=O)CN2CC[C@@H](Cc3ccccc3)[C@@H]2C)c(C#N)c1C ZINC000426430095 1101565814 /nfs/dbraw/zinc/56/58/14/1101565814.db2.gz NDURPHJQLMOTFM-YJBOKZPZSA-N 0 1 367.518 4.128 20 30 FIEDMN COc1ccc(C[C@@H](NCc2ccc(C#N)o2)c2ccccc2)cc1OC ZINC000537289461 1101608507 /nfs/dbraw/zinc/60/85/07/1101608507.db2.gz BPDOCHYXIYAACQ-HXUWFJFHSA-N 0 1 362.429 4.242 20 30 FIEDMN C[C@@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(C#N)c(F)c1 ZINC000537408796 1101756029 /nfs/dbraw/zinc/75/60/29/1101756029.db2.gz NDWQSWXKXGNINE-OAHLLOKOSA-N 0 1 374.419 4.195 20 30 FIEDMN CC(C)CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000518984549 1101797888 /nfs/dbraw/zinc/79/78/88/1101797888.db2.gz ASDUDTIHJFNGAD-LJQANCHMSA-N 0 1 364.449 4.397 20 30 FIEDMN N#CC(C(=O)CCSc1ccnc2cc(Cl)ccc21)c1ccncn1 ZINC000760341405 1101927137 /nfs/dbraw/zinc/92/71/37/1101927137.db2.gz REDDOAAHMUZYDE-CQSZACIVSA-N 0 1 368.849 4.037 20 30 FIEDMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000127559858 1101974714 /nfs/dbraw/zinc/97/47/14/1101974714.db2.gz KIYFUPOSEOVIFI-ZIAGYGMSSA-N 0 1 371.868 4.207 20 30 FIEDMN C=CCC[C@H](C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccccc1 ZINC000426617778 1102148267 /nfs/dbraw/zinc/14/82/67/1102148267.db2.gz BKKYYBNTDLJRGI-LEWJYISDSA-N 0 1 354.469 4.295 20 30 FIEDMN CCSc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000103500036 1102197867 /nfs/dbraw/zinc/19/78/67/1102197867.db2.gz VSBZCJMLEYUQOK-HUUCEWRRSA-N 0 1 353.491 4.348 20 30 FIEDMN Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000476539360 1102286040 /nfs/dbraw/zinc/28/60/40/1102286040.db2.gz QABNVGOFFNJLGA-UHFFFAOYSA-N 0 1 365.458 4.145 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000550080394 1102407548 /nfs/dbraw/zinc/40/75/48/1102407548.db2.gz ZDELUTFTUAEYDM-NUJGCVRESA-N 0 1 371.550 4.387 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c(C#N)c1C ZINC000532569052 1102492091 /nfs/dbraw/zinc/49/20/91/1102492091.db2.gz SPHCVWHMWQGSEA-JSGCOSHPSA-N 0 1 373.884 4.484 20 30 FIEDMN Cc1cccc2c(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)coc21 ZINC000424786354 1102691148 /nfs/dbraw/zinc/69/11/48/1102691148.db2.gz LWRPFXHPJXQFKV-UHFFFAOYSA-N 0 1 373.456 4.029 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C3CCCC3)cc2)n1 ZINC000519571036 1102780788 /nfs/dbraw/zinc/78/07/88/1102780788.db2.gz FGNFWRXSEPEMFA-INIZCTEOSA-N 0 1 368.458 4.467 20 30 FIEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2sc3ccc(C#N)cc3c2C)n[nH]1 ZINC000506859584 1102896181 /nfs/dbraw/zinc/89/61/81/1102896181.db2.gz FRGJYNAGSBDODN-ZYHUDNBSSA-N 0 1 367.478 4.204 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CN2CCC(O)(c3ccccc3Cl)CC2)cc1 ZINC000194950755 1103078166 /nfs/dbraw/zinc/07/81/66/1103078166.db2.gz MMEDSXOSIQLDHM-INIZCTEOSA-N 0 1 370.880 4.114 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cc(C)cc(C)c2)no1 ZINC001211975292 1103129829 /nfs/dbraw/zinc/12/98/29/1103129829.db2.gz BZABGEYVACIQGG-OALUTQOASA-N 0 1 357.498 4.432 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(F)c(C)c2)no1 ZINC001211975282 1103130387 /nfs/dbraw/zinc/13/03/87/1103130387.db2.gz BNCFSCOUILAECO-AEFFLSMTSA-N 0 1 361.461 4.262 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(OCC)cc2)no1 ZINC001211975342 1103130509 /nfs/dbraw/zinc/13/05/09/1103130509.db2.gz DUDUFNAUGFSEKY-HKUYNNGSSA-N 0 1 373.497 4.213 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(CC)cc2)no1 ZINC001211975641 1103132757 /nfs/dbraw/zinc/13/27/57/1103132757.db2.gz MTMUVRXAZSFMKL-OALUTQOASA-N 0 1 357.498 4.377 20 30 FIEDMN C[C@H](NC(=O)CNC1(c2cccc(C#N)c2)CC1)c1cccc2ccccc21 ZINC000551412105 1103189841 /nfs/dbraw/zinc/18/98/41/1103189841.db2.gz RFZVYEHYERJRGD-KRWDZBQOSA-N 0 1 369.468 4.168 20 30 FIEDMN CC(=O)c1cc(F)c(NC(=O)c2cc(F)c(F)c(F)c2F)c(F)c1F ZINC000537752247 1103914059 /nfs/dbraw/zinc/91/40/59/1103914059.db2.gz NSTGMGFBICXNDS-UHFFFAOYSA-N 0 1 365.204 4.115 20 30 FIEDMN Cc1sc(NC(=O)CNC(C)(C)c2cccc(Cl)c2)c(C#N)c1C ZINC000538213704 1104037692 /nfs/dbraw/zinc/03/76/92/1104037692.db2.gz LTDAJFXQDHAYQZ-UHFFFAOYSA-N 0 1 361.898 4.353 20 30 FIEDMN CC(C)N(CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000520173598 1104141476 /nfs/dbraw/zinc/14/14/76/1104141476.db2.gz RIWBBJUNRJUWMR-KRWDZBQOSA-N 0 1 367.468 4.127 20 30 FIEDMN Cc1cccc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1C#N ZINC000441323348 1104283436 /nfs/dbraw/zinc/28/34/36/1104283436.db2.gz JSTUTYKLCBQVDK-UHFFFAOYSA-N 0 1 369.446 4.106 20 30 FIEDMN C=CCOc1ccc(CNCc2ccncc2OCC(F)F)cc1Cl ZINC000441375084 1104316209 /nfs/dbraw/zinc/31/62/09/1104316209.db2.gz HLJCIKUZPUDJHX-UHFFFAOYSA-N 0 1 368.811 4.234 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccnn3CC(C)C)n2)cc1 ZINC000520405329 1104326646 /nfs/dbraw/zinc/32/66/46/1104326646.db2.gz GMSNCZJRBTWPAZ-INIZCTEOSA-N 0 1 364.474 4.461 20 30 FIEDMN C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000328653757 1104525450 /nfs/dbraw/zinc/52/54/50/1104525450.db2.gz LIGNJVCUFDJDMY-YBXZHIRMSA-N 0 1 372.557 4.323 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)N[C@@H]3CCCc4ccc(F)cc43)C2)n[nH]1 ZINC000328721365 1104533283 /nfs/dbraw/zinc/53/32/83/1104533283.db2.gz WUILOVHDVZGUDH-MAUKXSAKSA-N 0 1 356.445 4.028 20 30 FIEDMN Cc1nc2c(cccc2C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)[nH]1 ZINC000328722032 1104533587 /nfs/dbraw/zinc/53/35/87/1104533587.db2.gz XGZISYLVXLZOIE-UHFFFAOYSA-N 0 1 368.481 4.013 20 30 FIEDMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000328684289 1104536560 /nfs/dbraw/zinc/53/65/60/1104536560.db2.gz DYNKVCKWWVRKDG-GASCZTMLSA-N 0 1 364.449 4.121 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CC(C)(C)c4ccccc43)C2)[nH]n1 ZINC000328702264 1104541485 /nfs/dbraw/zinc/54/14/85/1104541485.db2.gz NSFASMCFUNZPIL-DNVCBOLYSA-N 0 1 352.482 4.234 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC(C)(C)c4ccccc43)C2)n[nH]1 ZINC000328702264 1104541492 /nfs/dbraw/zinc/54/14/92/1104541492.db2.gz NSFASMCFUNZPIL-DNVCBOLYSA-N 0 1 352.482 4.234 20 30 FIEDMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[C@H](C2CCOCC2)C1 ZINC000328859297 1104580447 /nfs/dbraw/zinc/58/04/47/1104580447.db2.gz UYOPHZOCQDTFBL-HIFRSBDPSA-N 0 1 366.889 4.074 20 30 FIEDMN O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1c(O)cc(Cl)cc1Cl ZINC000331236080 1104710437 /nfs/dbraw/zinc/71/04/37/1104710437.db2.gz MCFVFDPTAWHREV-VIFPVBQESA-N 0 1 371.186 4.030 20 30 FIEDMN Cc1c2ccccc2oc1[C@@H](C)N[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000183571039 1105056615 /nfs/dbraw/zinc/05/66/15/1105056615.db2.gz HDINJPHENXJHEP-HZPDHXFCSA-N 0 1 353.466 4.123 20 30 FIEDMN C[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc(C#N)cc1 ZINC000530438663 1107040618 /nfs/dbraw/zinc/04/06/18/1107040618.db2.gz RTQOKEWPDLXUDI-SJKOYZFVSA-N 0 1 374.271 4.321 20 30 FIEDMN C=CC[C@@H]1N(CC(=O)Nc2ccccc2SCC#N)CCCC1(C)C ZINC000444776181 1108170657 /nfs/dbraw/zinc/17/06/57/1108170657.db2.gz BHMCQAHXRZJNQO-SFHVURJKSA-N 0 1 357.523 4.307 20 30 FIEDMN COc1ccc(C2(NCC#Cc3ccccc3Cl)CCOCC2)cc1F ZINC000444805928 1108181142 /nfs/dbraw/zinc/18/11/42/1108181142.db2.gz VJCQFOZOJRWMPI-UHFFFAOYSA-N 0 1 373.855 4.135 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cc(-c3ccccc3)nn2C)n1 ZINC000453688307 1108687385 /nfs/dbraw/zinc/68/73/85/1108687385.db2.gz HLMGJJYOIIYGRK-CQSZACIVSA-N 0 1 350.447 4.157 20 30 FIEDMN N#Cc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000440753965 1108736266 /nfs/dbraw/zinc/73/62/66/1108736266.db2.gz KVDNGYIHMBVOKS-QGZVFWFLSA-N 0 1 350.809 4.065 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C[C@@H](C)c2ccccc2)c1 ZINC000524310017 1108960332 /nfs/dbraw/zinc/96/03/32/1108960332.db2.gz RASNXUZYGFCHGM-HXUWFJFHSA-N 0 1 363.505 4.286 20 30 FIEDMN N#Cc1cccc(NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000440910143 1109059207 /nfs/dbraw/zinc/05/92/07/1109059207.db2.gz PZPVBCUAMCHPRJ-KRWDZBQOSA-N 0 1 365.824 4.457 20 30 FIEDMN C[C@]1(c2ccccc2)CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000524755790 1109145033 /nfs/dbraw/zinc/14/50/33/1109145033.db2.gz BLWXSXMYBADVNP-QFIPXVFZSA-N 0 1 358.445 4.162 20 30 FIEDMN CCN(CCC#N)C(=O)CN[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000447345821 1109520305 /nfs/dbraw/zinc/52/03/05/1109520305.db2.gz RFPXXXQXERUAQK-XMMPIXPASA-N 0 1 371.484 4.281 20 30 FIEDMN CC[C@@H](N[C@@H](CO)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000447589323 1109589003 /nfs/dbraw/zinc/58/90/03/1109589003.db2.gz XMWGJRKEHNLQFY-MSOLQXFVSA-N 0 1 359.267 4.095 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ncsc1-c1ccccc1 ZINC000526109164 1109623766 /nfs/dbraw/zinc/62/37/66/1109623766.db2.gz WNSPGQJGVYPJLJ-AWEZNQCLSA-N 0 1 358.426 4.187 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ncsc1-c1ccccc1 ZINC000526109164 1109623769 /nfs/dbraw/zinc/62/37/69/1109623769.db2.gz WNSPGQJGVYPJLJ-AWEZNQCLSA-N 0 1 358.426 4.187 20 30 FIEDMN CC(C)(C)c1nc2ccc(NC(=O)c3ncc(C#N)cc3Cl)cc2[nH]1 ZINC000527000217 1109658120 /nfs/dbraw/zinc/65/81/20/1109658120.db2.gz LNTOWJCXXSCAMS-UHFFFAOYSA-N 0 1 353.813 4.033 20 30 FIEDMN CCC(C#N)(CC)c1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1 ZINC000528202364 1109934853 /nfs/dbraw/zinc/93/48/53/1109934853.db2.gz XEOZEHACGQSMDZ-UHFFFAOYSA-N 0 1 364.434 4.318 20 30 FIEDMN C=CCOc1ccc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1Cl ZINC000449410566 1110061921 /nfs/dbraw/zinc/06/19/21/1110061921.db2.gz XOWCJSSOBKJUPG-INIZCTEOSA-N 0 1 364.917 4.018 20 30 FIEDMN CN(C)C[C@H](NCc1ccc(F)cc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000528763803 1110105582 /nfs/dbraw/zinc/10/55/82/1110105582.db2.gz JCVXJUJEEOIHNG-SFHVURJKSA-N 0 1 366.267 4.397 20 30 FIEDMN N#Cc1ccc(CN[C@@H]2CCc3c2ccc(F)c3Br)s1 ZINC000449549376 1110106631 /nfs/dbraw/zinc/10/66/31/1110106631.db2.gz XIVKCFFOOBUYOH-CQSZACIVSA-N 0 1 351.244 4.298 20 30 FIEDMN COc1cc(Cl)ccc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528778871 1110111061 /nfs/dbraw/zinc/11/10/61/1110111061.db2.gz OBNOBRICJCPXFJ-UHFFFAOYSA-N 0 1 356.853 4.016 20 30 FIEDMN CCC(C#N)(CC)C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000528935155 1110157007 /nfs/dbraw/zinc/15/70/07/1110157007.db2.gz QZOMGDJULKFPQR-OAHLLOKOSA-N 0 1 353.447 4.325 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(Cl)cc1 ZINC000026369025 1110266910 /nfs/dbraw/zinc/26/69/10/1110266910.db2.gz NGMWBXNFKGMBIB-NEPJUHHUSA-N 0 1 373.909 4.440 20 30 FIEDMN COCCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538507209 1111173022 /nfs/dbraw/zinc/17/30/22/1111173022.db2.gz NMVOLWRNXSFCNX-INIZCTEOSA-N 0 1 356.441 4.272 20 30 FIEDMN N#CC1(CCCSc2nc(-c3ccc(Cl)cc3)n[nH]2)CCOCC1 ZINC000538569989 1111198347 /nfs/dbraw/zinc/19/83/47/1111198347.db2.gz KXVFYXDVQNAWGF-UHFFFAOYSA-N 0 1 362.886 4.318 20 30 FIEDMN C=CCOc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1OC ZINC000538823891 1111316428 /nfs/dbraw/zinc/31/64/28/1111316428.db2.gz LSLAKPVIWJSSSN-UHFFFAOYSA-N 0 1 360.457 4.421 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](C)C3(CCC3)C2)c1C ZINC000538943407 1111354657 /nfs/dbraw/zinc/35/46/57/1111354657.db2.gz SEMVSDRSDGKGOW-SFHVURJKSA-N 0 1 353.510 4.062 20 30 FIEDMN C[C@H](C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cccc(C#N)c1 ZINC000461920393 1111423739 /nfs/dbraw/zinc/42/37/39/1111423739.db2.gz RRLRWJVASMFWQF-ZDUSSCGKSA-N 0 1 356.385 4.437 20 30 FIEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000461983172 1111446446 /nfs/dbraw/zinc/44/64/46/1111446446.db2.gz IAHURJUHCJPZGG-UHFFFAOYSA-N 0 1 372.428 4.158 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@H](C)c4cccc(C#N)c4)C3)[nH]c2c1 ZINC000462012245 1111463867 /nfs/dbraw/zinc/46/38/67/1111463867.db2.gz CENFJMPOEHJPAS-APWZRJJASA-N 0 1 372.472 4.253 20 30 FIEDMN C=CCCOCCCCC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000539388558 1111547710 /nfs/dbraw/zinc/54/77/10/1111547710.db2.gz OQNHQACNLOTMRI-GOSISDBHSA-N 0 1 357.454 4.116 20 30 FIEDMN C=C(C)CN(C/C(C)=C/c1ccccc1COC)Cc1ccc(CO)o1 ZINC000552243947 1111635024 /nfs/dbraw/zinc/63/50/24/1111635024.db2.gz POVJUXQVOUHNMU-WOJGMQOQSA-N 0 1 355.478 4.400 20 30 FIEDMN CC(C)(C(=O)Nc1cc(F)cc(Cl)c1O)c1cc(F)cc(C#N)c1 ZINC000552448002 1111711767 /nfs/dbraw/zinc/71/17/67/1111711767.db2.gz LEDKJKGPDKMRTF-UHFFFAOYSA-N 0 1 350.752 4.112 20 30 FIEDMN N#CC(C(=O)c1coc(-c2ccccc2Cl)n1)c1nc2ccccc2[nH]1 ZINC000553663002 1112044362 /nfs/dbraw/zinc/04/43/62/1112044362.db2.gz URVHEPNHGLTORD-GFCCVEGCSA-N 0 1 362.776 4.361 20 30 FIEDMN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000554026556 1112164952 /nfs/dbraw/zinc/16/49/52/1112164952.db2.gz GAGWEWQPSUJBDX-KRWDZBQOSA-N 0 1 362.788 4.098 20 30 FIEDMN CC(C)CN(Cc1ccc(F)c(Cl)c1)Cc1cnc2c(C#N)cnn2c1 ZINC000600188080 1112915577 /nfs/dbraw/zinc/91/55/77/1112915577.db2.gz UTBLAZNEMWBOLS-UHFFFAOYSA-N 0 1 371.847 4.052 20 30 FIEDMN C=C(C)[C@@H](NC[C@H](O)COc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000481597044 1112992048 /nfs/dbraw/zinc/99/20/48/1112992048.db2.gz KLCLBMHQAABNPL-IFXJQAMLSA-N 0 1 367.823 4.265 20 30 FIEDMN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc1C ZINC000128750684 1113394101 /nfs/dbraw/zinc/39/41/01/1113394101.db2.gz GIEPMCDKKVMDON-LLVKDONJSA-N 0 1 351.189 4.164 20 30 FIEDMN C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000249276745 1113437303 /nfs/dbraw/zinc/43/73/03/1113437303.db2.gz MSFQLKDTAFMYQP-RHSMWYFYSA-N 0 1 368.868 4.018 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nccc3ccccc32)c2cnn(C(C)C)c2n1 ZINC000483189564 1113463379 /nfs/dbraw/zinc/46/33/79/1113463379.db2.gz CDKSLTROQRAOMG-SFHVURJKSA-N 0 1 369.428 4.359 20 30 FIEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000486324824 1113545071 /nfs/dbraw/zinc/54/50/71/1113545071.db2.gz PDAXDSKKWIZBGD-RTBURBONSA-N 0 1 374.444 4.058 20 30 FIEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000486324824 1113545076 /nfs/dbraw/zinc/54/50/76/1113545076.db2.gz PDAXDSKKWIZBGD-RTBURBONSA-N 0 1 374.444 4.058 20 30 FIEDMN Fc1ccccc1-c1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)s1 ZINC000912785162 1114202877 /nfs/dbraw/zinc/20/28/77/1114202877.db2.gz RCXPKZXPAAZLQF-UHFFFAOYSA-N 0 1 372.372 4.335 20 30 FIEDMN CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000490205742 1114231818 /nfs/dbraw/zinc/23/18/18/1114231818.db2.gz VDPTVLVERHZQIS-NRFANRHFSA-N 0 1 360.461 4.144 20 30 FIEDMN CCn1c2ccccc2nc1[C@@H]1CCCN1CCOc1cccc(C#N)c1 ZINC000490205742 1114231822 /nfs/dbraw/zinc/23/18/22/1114231822.db2.gz VDPTVLVERHZQIS-NRFANRHFSA-N 0 1 360.461 4.144 20 30 FIEDMN CC(C)N(CC(=O)N1CCCCCC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000586786296 1114393357 /nfs/dbraw/zinc/39/33/57/1114393357.db2.gz NVNMTLPCWNEGHH-UHFFFAOYSA-N 0 1 355.526 4.101 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CNCc2cnc(Cl)c(C)c2)ccc1OC ZINC000760676380 1114515031 /nfs/dbraw/zinc/51/50/31/1114515031.db2.gz ZREXAMDQZQCBHC-MRXNPFEDSA-N 0 1 359.857 4.023 20 30 FIEDMN CN1CC[C@H](CNC(=O)CCCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000588162848 1114531625 /nfs/dbraw/zinc/53/16/25/1114531625.db2.gz JYSCQMIRZXTXHX-DNVCBOLYSA-N 0 1 365.880 4.062 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000589740281 1114837698 /nfs/dbraw/zinc/83/76/98/1114837698.db2.gz OZEZJVSZKUYVOV-HXUWFJFHSA-N 0 1 371.456 4.205 20 30 FIEDMN CC(C)(NCC(=O)Nc1sccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000057846832 1115022047 /nfs/dbraw/zinc/02/20/47/1115022047.db2.gz CYFBCACTRWYGTC-UHFFFAOYSA-N 0 1 367.396 4.102 20 30 FIEDMN CC(C)N1CC[C@@H](NCc2ccncc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000592113452 1115203576 /nfs/dbraw/zinc/20/35/76/1115203576.db2.gz RONAOHGVDGMUIG-WOJBJXKFSA-N 0 1 372.875 4.059 20 30 FIEDMN CC(C)[C@@](C)(NCc1ccncc1C#N)c1ccc(Br)cc1 ZINC000592112247 1115203586 /nfs/dbraw/zinc/20/35/86/1115203586.db2.gz JXWOXYKFUNQDKT-GOSISDBHSA-N 0 1 358.283 4.377 20 30 FIEDMN Cc1ccc(CN(Cc2ccc(C#N)cc2OC(F)F)CC2CC2)cn1 ZINC000592146035 1115209502 /nfs/dbraw/zinc/20/95/02/1115209502.db2.gz KUXAAVUVZVJSKP-UHFFFAOYSA-N 0 1 357.404 4.275 20 30 FIEDMN CC(C)(C)OC(=O)C1(C)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000592523849 1115239039 /nfs/dbraw/zinc/23/90/39/1115239039.db2.gz SBFMLKBJZLQWPU-UHFFFAOYSA-N 0 1 372.509 4.313 20 30 FIEDMN Oc1c(Br)cc(Br)cc1/C=N/C1CC(F)(F)C1 ZINC000760990056 1115251767 /nfs/dbraw/zinc/25/17/67/1115251767.db2.gz KJICVUBEDHTCPO-FZSIALSZSA-N 0 1 369.003 4.134 20 30 FIEDMN N#CC(C(=O)c1cnn(-c2ccccc2)c1)c1nc2cc(F)ccc2s1 ZINC000592974732 1115272634 /nfs/dbraw/zinc/27/26/34/1115272634.db2.gz YFFGYEMTUUYGHH-OAHLLOKOSA-N 0 1 362.389 4.111 20 30 FIEDMN CC(=O)Nc1cc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)ccc1C ZINC000592974054 1115272749 /nfs/dbraw/zinc/27/27/49/1115272749.db2.gz NCLRRDDKFVQNSO-AWEZNQCLSA-N 0 1 367.405 4.192 20 30 FIEDMN CC[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1F ZINC000594020034 1115365196 /nfs/dbraw/zinc/36/51/96/1115365196.db2.gz XOBLCXAKXMQQNN-MGPUTAFESA-N 0 1 371.431 4.341 20 30 FIEDMN CCN(CC(=O)N[C@@H]1CCCc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000249970729 1115385563 /nfs/dbraw/zinc/38/55/63/1115385563.db2.gz OUNWEGLKCFIICL-VGOFRKELSA-N 0 1 361.489 4.135 20 30 FIEDMN CCOc1cc2c(cc1CNCc1ccc(C(C)(C)C#N)cc1)O[C@H](C)C2 ZINC000594493008 1115449298 /nfs/dbraw/zinc/44/92/98/1115449298.db2.gz CAOZUADJQXPMMI-MRXNPFEDSA-N 0 1 364.489 4.500 20 30 FIEDMN CC(C)(CC#N)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000594882063 1115485285 /nfs/dbraw/zinc/48/52/85/1115485285.db2.gz JCSIEQYMMDAXIF-UHFFFAOYSA-N 0 1 351.273 4.266 20 30 FIEDMN Cc1nnc(-c2cccc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)c2)o1 ZINC000574824970 1115499044 /nfs/dbraw/zinc/49/90/44/1115499044.db2.gz NIKQUCZIVXYQQF-CQSZACIVSA-N 0 1 366.446 4.289 20 30 FIEDMN C[C@H](NCc1cccc(COC[C@H]2CCCO2)c1)c1ccc(C#N)cc1F ZINC000595100857 1115516023 /nfs/dbraw/zinc/51/60/23/1115516023.db2.gz BINHJKOHNALPAR-OXJNMPFZSA-N 0 1 368.452 4.244 20 30 FIEDMN N#Cc1ccc(CCN2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000595303654 1115524460 /nfs/dbraw/zinc/52/44/60/1115524460.db2.gz BGEZGALBISRBOA-FQEVSTJZSA-N 0 1 358.445 4.378 20 30 FIEDMN COc1ccc(C#N)cc1CN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000595514986 1115539335 /nfs/dbraw/zinc/53/93/35/1115539335.db2.gz LJXLAICIFXGEDG-LBPRGKRZSA-N 0 1 354.841 4.290 20 30 FIEDMN COc1cc(C#N)ccc1CN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000595515117 1115539574 /nfs/dbraw/zinc/53/95/74/1115539574.db2.gz LVIHQOJHWSLQBR-LBPRGKRZSA-N 0 1 354.841 4.290 20 30 FIEDMN Cc1cc(OC[C@@H](O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C(C)C)cc1Cl ZINC000595609966 1115552866 /nfs/dbraw/zinc/55/28/66/1115552866.db2.gz QYNAGNJQXNVRBB-IRXDYDNUSA-N 0 1 364.917 4.137 20 30 FIEDMN C[C@@H](c1cccc(C#N)c1)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000596605950 1115601332 /nfs/dbraw/zinc/60/13/32/1115601332.db2.gz QZADMJVPAWWPOS-AWEZNQCLSA-N 0 1 362.408 4.082 20 30 FIEDMN C=CCCSCCNC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000596721679 1115614365 /nfs/dbraw/zinc/61/43/65/1115614365.db2.gz MCKDJAXMEMJEQV-QGZVFWFLSA-N 0 1 358.511 4.027 20 30 FIEDMN COc1cc(/C=C2/CCc3ccc(Cl)cc3C2=O)cc([N+](=O)[O-])c1O ZINC000761205974 1115624777 /nfs/dbraw/zinc/62/47/77/1115624777.db2.gz MDJDBVVLCQVRNQ-SDQBBNPISA-N 0 1 359.765 4.175 20 30 FIEDMN CCN(CC(=O)NC1(c2ccccc2)CCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469503 1115645251 /nfs/dbraw/zinc/64/52/51/1115645251.db2.gz CXRBKLQOFUWGJE-GOSISDBHSA-N 0 1 361.489 4.137 20 30 FIEDMN CC(C)c1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000593352199 1115665173 /nfs/dbraw/zinc/66/51/73/1115665173.db2.gz DEQKQJGGOWPATJ-UHFFFAOYSA-N 0 1 361.489 4.076 20 30 FIEDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CCc1ccc(C#N)cc1 ZINC000597724405 1115682405 /nfs/dbraw/zinc/68/24/05/1115682405.db2.gz GXFXBUSXEDTPQZ-CYBMUJFWSA-N 0 1 366.852 4.240 20 30 FIEDMN CC(C)(C)N1CCc2nc(NC(=O)CC3(C#N)CCCCC3)sc2C1 ZINC000597799287 1115686557 /nfs/dbraw/zinc/68/65/57/1115686557.db2.gz VXBDBWJDEVSAGD-UHFFFAOYSA-N 0 1 360.527 4.102 20 30 FIEDMN C[C@H]1c2c(C#N)c(NC(=O)c3ocnc3C(F)F)sc2CC[C@@H]1C ZINC000602344912 1115698083 /nfs/dbraw/zinc/69/80/83/1115698083.db2.gz XJODDDFHHXGHFG-JGVFFNPUSA-N 0 1 351.378 4.483 20 30 FIEDMN Cc1ncc(C(C)N=Nc2nc(C)nc3sc4c(c32)CCCC4)s1 ZINC000761249605 1115702090 /nfs/dbraw/zinc/70/20/90/1115702090.db2.gz BORHPMXWOMAJDS-UHFFFAOYSA-N 0 1 357.508 4.480 20 30 FIEDMN COCC[C@H](NCc1cccc(C#N)n1)c1ccc(Cl)c(Cl)c1 ZINC000602656818 1115717721 /nfs/dbraw/zinc/71/77/21/1115717721.db2.gz YNKWIYUNBYIMDR-KRWDZBQOSA-N 0 1 350.249 4.127 20 30 FIEDMN COc1cccc([C@@H](NC[C@@H](O)CC(C)(C)C#N)c2ccccc2Cl)c1 ZINC000598720082 1115748076 /nfs/dbraw/zinc/74/80/76/1115748076.db2.gz MCDLCFBVRJXPNC-OXJNMPFZSA-N 0 1 372.896 4.328 20 30 FIEDMN N#Cc1cccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000603645798 1115801345 /nfs/dbraw/zinc/80/13/45/1115801345.db2.gz DQMWJLMBSRZZGB-IBGZPJMESA-N 0 1 368.868 4.170 20 30 FIEDMN C=CCOc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1 ZINC000061285988 1115815480 /nfs/dbraw/zinc/81/54/80/1115815480.db2.gz STFQQBLCPJRRRP-UHFFFAOYSA-N 0 1 368.502 4.053 20 30 FIEDMN CSc1ccc(NC(=O)CN(Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000604493115 1115867746 /nfs/dbraw/zinc/86/77/46/1115867746.db2.gz MHMJAAZJLIUIPZ-UHFFFAOYSA-N 0 1 367.518 4.377 20 30 FIEDMN N#CC(C(=O)[C@H]1CSc2ccccc21)c1nc2ccccc2n1C(F)F ZINC000172486603 1115953397 /nfs/dbraw/zinc/95/33/97/1115953397.db2.gz VNXCOMKXCQUTCW-OLZOCXBDSA-N 0 1 369.396 4.497 20 30 FIEDMN Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)c(C)c1 ZINC000063497463 1116075111 /nfs/dbraw/zinc/07/51/11/1116075111.db2.gz HGJZFAOFQAAWGY-UHFFFAOYSA-N 0 1 371.238 4.487 20 30 FIEDMN C#CCOc1ccc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000174002685 1116104468 /nfs/dbraw/zinc/10/44/68/1116104468.db2.gz KGXKWCFOPDVVTC-HNNXBMFYSA-N 0 1 366.829 4.452 20 30 FIEDMN CCC(=O)Nc1cccc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000608860657 1116134480 /nfs/dbraw/zinc/13/44/80/1116134480.db2.gz YFQICSYTVWJRDG-UHFFFAOYSA-N 0 1 351.450 4.007 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000534227909 1116173905 /nfs/dbraw/zinc/17/39/05/1116173905.db2.gz JONQWLUEWNAEGK-UHFFFAOYSA-N 0 1 371.456 4.164 20 30 FIEDMN CCc1ccc([C@H](NCc2cccc(C(=O)OC)c2C#N)C(C)C)cc1 ZINC000534468612 1116205263 /nfs/dbraw/zinc/20/52/63/1116205263.db2.gz DMESGWLFAHVUHO-OAQYLSRUSA-N 0 1 350.462 4.394 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1O ZINC000442727110 1116293668 /nfs/dbraw/zinc/29/36/68/1116293668.db2.gz AFYUXRIQKKEVFY-UHFFFAOYSA-N 0 1 369.833 4.217 20 30 FIEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000122162295 1116317099 /nfs/dbraw/zinc/31/70/99/1116317099.db2.gz PXYPTANMJDNTCF-UHFFFAOYSA-N 0 1 350.447 4.061 20 30 FIEDMN C[C@H](c1ccsc1)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000462467150 1116357407 /nfs/dbraw/zinc/35/74/07/1116357407.db2.gz RXXZGXCHLOVRQU-QGZVFWFLSA-N 0 1 353.535 4.428 20 30 FIEDMN COc1ccc2cc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)c(C)nc2c1 ZINC000539875775 1116394882 /nfs/dbraw/zinc/39/48/82/1116394882.db2.gz XUCNYTGBZISEKC-QGZVFWFLSA-N 0 1 370.412 4.227 20 30 FIEDMN CC[C@H]1CC[C@@H](C)N1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000540054458 1117843672 /nfs/dbraw/zinc/84/36/72/1117843672.db2.gz RCCSDVUTZIMIRH-PBHICJAKSA-N 0 1 356.514 4.293 20 30 FIEDMN C=CCCO[C@H](C)c1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1 ZINC000463160446 1117989086 /nfs/dbraw/zinc/98/90/86/1117989086.db2.gz JZHLNMBJBWDKPY-LLVKDONJSA-N 0 1 367.434 4.390 20 30 FIEDMN C=CCn1cccc1-c1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1 ZINC000463173798 1118006141 /nfs/dbraw/zinc/00/61/41/1118006141.db2.gz VIJDQEKVWUHTTM-UHFFFAOYSA-N 0 1 374.429 4.391 20 30 FIEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000540381852 1118032194 /nfs/dbraw/zinc/03/21/94/1118032194.db2.gz XZBVYYBAMQDIJN-OAHLLOKOSA-N 0 1 357.523 4.194 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)c(Cl)c1 ZINC000463435936 1118156059 /nfs/dbraw/zinc/15/60/59/1118156059.db2.gz LXAJJAZLDDZZRV-OAQYLSRUSA-N 0 1 354.881 4.029 20 30 FIEDMN CCOc1cc2c(cc1CN[C@H](C)c1ccc(C#N)c(F)c1)O[C@H](C)C2 ZINC000540701988 1118192940 /nfs/dbraw/zinc/19/29/40/1118192940.db2.gz NTBUYSJAIJPIPX-ZIAGYGMSSA-N 0 1 354.425 4.270 20 30 FIEDMN Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c(OC[C@H]2CCCO2)c1 ZINC000540708300 1118195953 /nfs/dbraw/zinc/19/59/53/1118195953.db2.gz RQEKHJXUUTYRBD-OXJNMPFZSA-N 0 1 368.452 4.414 20 30 FIEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(-c2cccs2)c1 ZINC000463531352 1118197358 /nfs/dbraw/zinc/19/73/58/1118197358.db2.gz IBVXGCJWXHLKMM-UHFFFAOYSA-N 0 1 370.455 4.096 20 30 FIEDMN C[C@H](Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(C#N)c(F)c1 ZINC000540787109 1118246981 /nfs/dbraw/zinc/24/69/81/1118246981.db2.gz BSWSZOMLOQRXNN-BBWFWOEESA-N 0 1 367.468 4.480 20 30 FIEDMN Cc1ccnc(NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000541350219 1118483268 /nfs/dbraw/zinc/48/32/68/1118483268.db2.gz VNOXOBZDHRNXQV-KDOFPFPSSA-N 0 1 358.848 4.159 20 30 FIEDMN N#CC(C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000541354449 1118488971 /nfs/dbraw/zinc/48/89/71/1118488971.db2.gz GXVKPVBMEDTMIT-ZDUSSCGKSA-N 0 1 357.291 4.245 20 30 FIEDMN Cn1cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c2cc(F)ccc21 ZINC000464408325 1118554284 /nfs/dbraw/zinc/55/42/84/1118554284.db2.gz COLXBBZTUOCOJL-ZDUSSCGKSA-N 0 1 361.298 4.221 20 30 FIEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000541662061 1118601263 /nfs/dbraw/zinc/60/12/63/1118601263.db2.gz IGHPSESEJRNZBL-MRXNPFEDSA-N 0 1 369.534 4.278 20 30 FIEDMN C[C@H]1c2ccccc2CN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000542132941 1118808764 /nfs/dbraw/zinc/80/87/64/1118808764.db2.gz LGIQXLUNXGLUQT-AWEZNQCLSA-N 0 1 365.502 4.404 20 30 FIEDMN CN(C)C(=O)Sc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000271773652 1118866889 /nfs/dbraw/zinc/86/68/89/1118866889.db2.gz KJJWPQXPOYWLKY-UHFFFAOYSA-N 0 1 351.475 4.111 20 30 FIEDMN CCN(CCNc1c(C#N)cnc2c(F)cc(F)cc21)CCC(F)(F)F ZINC000491833179 1118985689 /nfs/dbraw/zinc/98/56/89/1118985689.db2.gz VANAVIICNFRKMP-UHFFFAOYSA-N 0 1 372.341 4.071 20 30 FIEDMN Cc1ccc(CNCc2ccc(C#N)c(C)c2)c(OC[C@H]2CCCO2)c1 ZINC000444001452 1119182774 /nfs/dbraw/zinc/18/27/74/1119182774.db2.gz KMXXLXVWHSYJPS-OAQYLSRUSA-N 0 1 350.462 4.023 20 30 FIEDMN CC(C)c1csc([C@H](C#N)C(=O)c2ccc(OCC(F)(F)F)nc2)n1 ZINC000177757320 1119349604 /nfs/dbraw/zinc/34/96/04/1119349604.db2.gz MJXWVCZEVJCKMC-LLVKDONJSA-N 0 1 369.368 4.093 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(OCC(F)(F)F)nc2)n1 ZINC000177757320 1119349608 /nfs/dbraw/zinc/34/96/08/1119349608.db2.gz MJXWVCZEVJCKMC-LLVKDONJSA-N 0 1 369.368 4.093 20 30 FIEDMN C=CCC(C)(C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493921286 1119514221 /nfs/dbraw/zinc/51/42/21/1119514221.db2.gz WHTFHLAQANVWQW-YOEHRIQHSA-N 0 1 352.881 4.190 20 30 FIEDMN N#Cc1ccc(Oc2cccc(NC(=O)c3cccc4cn[nH]c43)c2)cc1 ZINC000609176996 1119584965 /nfs/dbraw/zinc/58/49/65/1119584965.db2.gz COZMWZNXVQBMOC-UHFFFAOYSA-N 0 1 354.369 4.479 20 30 FIEDMN N#CC(C(=O)c1ccc(N2CCCC2)nc1)c1nc(-c2ccccc2)cs1 ZINC000187130473 1119768336 /nfs/dbraw/zinc/76/83/36/1119768336.db2.gz VPLZLXVPOOXQHC-KRWDZBQOSA-N 0 1 374.469 4.295 20 30 FIEDMN Cn1cc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000193665000 1120173007 /nfs/dbraw/zinc/17/30/07/1120173007.db2.gz SWRRITDBOIFAMY-AWEZNQCLSA-N 0 1 366.833 4.164 20 30 FIEDMN Cn1cc(Cl)cc1C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000193665000 1120173008 /nfs/dbraw/zinc/17/30/08/1120173008.db2.gz SWRRITDBOIFAMY-AWEZNQCLSA-N 0 1 366.833 4.164 20 30 FIEDMN Cc1sc2ncnc(NN=Cc3ccc(F)c(C#N)c3Cl)c2c1C ZINC000761750898 1120331482 /nfs/dbraw/zinc/33/14/82/1120331482.db2.gz YQZMNCMVCVENEL-UHFFFAOYSA-N 0 1 359.817 4.418 20 30 FIEDMN CCC[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1)C(C)C ZINC000153331612 1120505792 /nfs/dbraw/zinc/50/57/92/1120505792.db2.gz VCFGVOXUQHHQAC-KGLIPLIRSA-N 0 1 350.846 4.068 20 30 FIEDMN CC1(C)c2ccc(C(=O)C(C#N)c3nc4ccccc4s3)cc2NC1=O ZINC000495289916 1120631357 /nfs/dbraw/zinc/63/13/57/1120631357.db2.gz BTUUTQGLDIMCMD-LBPRGKRZSA-N 0 1 361.426 4.016 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)c2cc3ccccc3cc2OC(F)F)c1 ZINC000762076720 1120697471 /nfs/dbraw/zinc/69/74/71/1120697471.db2.gz MFGGEUBFMJYZDI-UHFFFAOYSA-N 0 1 354.312 4.271 20 30 FIEDMN C#Cc1cccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000915340262 1120925963 /nfs/dbraw/zinc/92/59/63/1120925963.db2.gz VZPVWYZIMOJYPS-FQEVSTJZSA-N 0 1 367.880 4.280 20 30 FIEDMN CCCOc1ccc(Br)cc1CNCc1cccc(C#N)c1 ZINC000236930664 1120971686 /nfs/dbraw/zinc/97/16/86/1120971686.db2.gz HSIUQDLPBFATQB-UHFFFAOYSA-N 0 1 359.267 4.399 20 30 FIEDMN COc1ccc2c(c1)nccc2Nc1ccc(C#N)nc1Br ZINC001203519921 1121107946 /nfs/dbraw/zinc/10/79/46/1121107946.db2.gz NTCOPFLCJQABTO-UHFFFAOYSA-N 0 1 355.195 4.016 20 30 FIEDMN C=CCN(C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000763092091 1121114168 /nfs/dbraw/zinc/11/41/68/1121114168.db2.gz PRIDQMYJWSHGQN-MAUKXSAKSA-N 0 1 367.896 4.078 20 30 FIEDMN O=[N+]([O-])c1cccc(N=NC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000915934419 1121354160 /nfs/dbraw/zinc/35/41/60/1121354160.db2.gz CCYACJSVGUCCTA-UHFFFAOYSA-N 0 1 358.829 4.312 20 30 FIEDMN Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNc1ccccc1[N+](=O)[O-] ZINC000915934203 1121354297 /nfs/dbraw/zinc/35/42/97/1121354297.db2.gz VZEAKQXWLLCRHW-UHFFFAOYSA-N 0 1 371.347 4.122 20 30 FIEDMN COCCOc1ccc(C(C)=NNc2nc3ccccc3s2)cc1OC ZINC000915934180 1121354394 /nfs/dbraw/zinc/35/43/94/1121354394.db2.gz UKHJWGNMTJVYPM-UHFFFAOYSA-N 0 1 371.462 4.166 20 30 FIEDMN Clc1ccc(CN2CCC(N=Nc3nc4ccccc4[nH]3)CC2)cc1 ZINC000915936765 1121355107 /nfs/dbraw/zinc/35/51/07/1121355107.db2.gz DZFQIVUPXOGUCZ-UHFFFAOYSA-N 0 1 353.857 4.280 20 30 FIEDMN CCN(CC)C(=O)COc1ccc(C(C)N=Nc2ccccc2Cl)cc1 ZINC000916262174 1121458664 /nfs/dbraw/zinc/45/86/64/1121458664.db2.gz AJYNRKHSXPWULG-UHFFFAOYSA-N 0 1 373.884 4.423 20 30 FIEDMN Cc1sc2ncnc(N=NCc3ccc(Cl)c([N+](=O)[O-])c3)c2c1C ZINC000916309996 1121470254 /nfs/dbraw/zinc/47/02/54/1121470254.db2.gz RJLLNGMVVHARQP-UHFFFAOYSA-N 0 1 361.814 4.316 20 30 FIEDMN COc1cc(OC)cc(Oc2ccc(CN3CCC(C#N)CC3)cc2)c1 ZINC000123664108 1121622447 /nfs/dbraw/zinc/62/24/47/1121622447.db2.gz UBBYYUZJTLAXNZ-UHFFFAOYSA-N 0 1 352.434 4.232 20 30 FIEDMN Cc1cc([C@@H](C#N)C(=O)CSc2cccc(C(F)(F)F)c2)nc(C)n1 ZINC000916880191 1121907097 /nfs/dbraw/zinc/90/70/97/1121907097.db2.gz NSVKHLKJMQZEQU-CQSZACIVSA-N 0 1 365.380 4.081 20 30 FIEDMN Cc1cc(C(C#N)C(=O)CCn2c3ccccc3c3ccccc32)nc(C)n1 ZINC000916880054 1121907168 /nfs/dbraw/zinc/90/71/68/1121907168.db2.gz JEJAAYYWSZSNIP-LJQANCHMSA-N 0 1 368.440 4.468 20 30 FIEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000916897775 1121913063 /nfs/dbraw/zinc/91/30/63/1121913063.db2.gz STZVOBYCSGZPMV-GZBFAFLISA-N 0 1 352.356 4.011 20 30 FIEDMN CC[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)N(C)C ZINC000126649841 1121972885 /nfs/dbraw/zinc/97/28/85/1121972885.db2.gz UXRQQXYHDUHBQN-IEBWSBKVSA-N 0 1 355.869 4.274 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1C ZINC000066544690 1122072988 /nfs/dbraw/zinc/07/29/88/1122072988.db2.gz YJWUDAQJOOXLKG-KRWDZBQOSA-N 0 1 373.437 4.489 20 30 FIEDMN Cc1nc(NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)sc1SCC#N ZINC000127857814 1122155051 /nfs/dbraw/zinc/15/50/51/1122155051.db2.gz RZBGWLCFQFPOQT-UHFFFAOYSA-N 0 1 369.475 4.018 20 30 FIEDMN CCN(CC(=O)N[C@H](c1ccccc1)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594125 1122303084 /nfs/dbraw/zinc/30/30/84/1122303084.db2.gz QKGINSUQURTSMK-MBSDFSHPSA-N 0 1 363.505 4.455 20 30 FIEDMN COc1cccc(O)c1/C=N\C[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000917557263 1122361470 /nfs/dbraw/zinc/36/14/70/1122361470.db2.gz CTRWZOPVWIKCAU-MIDMBNTASA-N 0 1 368.477 4.056 20 30 FIEDMN N#Cc1cccc(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1 ZINC000609263387 1122414003 /nfs/dbraw/zinc/41/40/03/1122414003.db2.gz QYFKASJQEGEVKF-UHFFFAOYSA-N 0 1 356.360 4.493 20 30 FIEDMN N#Cc1ccc(N2CCN(Cc3cc(-c4ccccc4)cs3)CC2)nc1 ZINC000498112843 1122582558 /nfs/dbraw/zinc/58/25/58/1122582558.db2.gz AGYUTJLACDICBR-UHFFFAOYSA-N 0 1 360.486 4.004 20 30 FIEDMN C=CC[C@@H](CO)CN[C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000556119561 1122670237 /nfs/dbraw/zinc/67/02/37/1122670237.db2.gz AIKBUHZFVMVBSG-PXAZEXFGSA-N 0 1 368.246 4.045 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)NCc2cccc(C#N)c2)c1 ZINC000194791264 1122832985 /nfs/dbraw/zinc/83/29/85/1122832985.db2.gz QLCVVAKBDNPZQV-UHFFFAOYSA-N 0 1 369.468 4.120 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CCc3ccc(C#N)cc3)[nH]c2c1 ZINC000195373606 1123474176 /nfs/dbraw/zinc/47/41/76/1123474176.db2.gz PUHABDSCCQASDS-FQEVSTJZSA-N 0 1 358.445 4.039 20 30 FIEDMN C=CCCOCC(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000920791117 1123519402 /nfs/dbraw/zinc/51/94/02/1123519402.db2.gz VRYYSAMYOONWAR-LLVKDONJSA-N 0 1 354.353 4.084 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](c3ccco3)C2)c1 ZINC000609540168 1123747678 /nfs/dbraw/zinc/74/76/78/1123747678.db2.gz RUFKATULSVDFRJ-RTBURBONSA-N 0 1 365.477 4.021 20 30 FIEDMN COc1cc(CN(C)Cc2cccc(C#N)c2)ccc1OCC(F)(F)F ZINC000130763639 1123844278 /nfs/dbraw/zinc/84/42/78/1123844278.db2.gz LDRHHVPOIRRJOE-UHFFFAOYSA-N 0 1 364.367 4.140 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000610132296 1123949358 /nfs/dbraw/zinc/94/93/58/1123949358.db2.gz QDAMOQYMOYVYMX-GOSISDBHSA-N 0 1 356.853 4.436 20 30 FIEDMN C=CCOc1ccc(CN2CCC[C@@H]2c2ccc(COC)o2)cc1OC ZINC000137079581 1123960943 /nfs/dbraw/zinc/96/09/43/1123960943.db2.gz ZPDRZWKJLHELAU-GOSISDBHSA-N 0 1 357.450 4.337 20 30 FIEDMN N#CCCN(CCC(=O)Nc1ccccc1Oc1ccccc1)CC1CC1 ZINC000081065631 1123982422 /nfs/dbraw/zinc/98/24/22/1123982422.db2.gz WIUXFGQKDFCXCZ-UHFFFAOYSA-N 0 1 363.461 4.433 20 30 FIEDMN N#Cc1ccc(Cl)cc1NC(=O)CNC1(c2cccc(Cl)c2)CC1 ZINC000179671848 1124027237 /nfs/dbraw/zinc/02/72/37/1124027237.db2.gz RVXZKINBKBXOGC-UHFFFAOYSA-N 0 1 360.244 4.082 20 30 FIEDMN N#CC(C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000179965755 1124174956 /nfs/dbraw/zinc/17/49/56/1124174956.db2.gz JAIWZNAFJXMGMX-KRWDZBQOSA-N 0 1 370.437 4.250 20 30 FIEDMN COc1ccccc1[C@@H](CNc1c(C#N)cccc1C#N)N1CCCCC1 ZINC000302862080 1124361491 /nfs/dbraw/zinc/36/14/91/1124361491.db2.gz VUVVHMCPVBNFEK-HXUWFJFHSA-N 0 1 360.461 4.078 20 30 FIEDMN C[C@@H](NCc1ccc(OCC#N)cc1)c1cc(Br)ccc1F ZINC000180552173 1124364832 /nfs/dbraw/zinc/36/48/32/1124364832.db2.gz ZFUFMFPCSWHJLR-GFCCVEGCSA-N 0 1 363.230 4.341 20 30 FIEDMN CN1CC[C@@H](CNc2c(C#N)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302890145 1124365531 /nfs/dbraw/zinc/36/55/31/1124365531.db2.gz PHFKZRPYEBIEBP-JXFKEZNVSA-N 0 1 368.843 4.327 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Cl)nc2)ccc1OC ZINC000180815206 1124442171 /nfs/dbraw/zinc/44/21/71/1124442171.db2.gz FKAMQVFDAGCBSQ-CZUORRHYSA-N 0 1 359.857 4.275 20 30 FIEDMN N#Cc1ccc(CN[C@H]2CCc3sc(Br)cc32)cc1F ZINC000404568230 1124455672 /nfs/dbraw/zinc/45/56/72/1124455672.db2.gz FNAYDHAUBFWWDC-ZDUSSCGKSA-N 0 1 351.244 4.298 20 30 FIEDMN N#Cc1ccc(CN[C@@H]2CCc3sc(Br)cc32)cc1F ZINC000404568221 1124456710 /nfs/dbraw/zinc/45/67/10/1124456710.db2.gz FNAYDHAUBFWWDC-CYBMUJFWSA-N 0 1 351.244 4.298 20 30 FIEDMN Fc1ccc(OCCCN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000303732652 1124465240 /nfs/dbraw/zinc/46/52/40/1124465240.db2.gz ZSFFOEJNJVBFIX-UHFFFAOYSA-N 0 1 359.285 4.411 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC(c3cccnc3)CC2)c1 ZINC000617216809 1124476861 /nfs/dbraw/zinc/47/68/61/1124476861.db2.gz VQKQKVMGFCNLEH-UHFFFAOYSA-N 0 1 356.267 4.095 20 30 FIEDMN N#CC(C(=O)c1ccc2c(c1)OCO2)c1nc2cc(Cl)ccc2s1 ZINC000076606529 1125006767 /nfs/dbraw/zinc/00/67/67/1125006767.db2.gz BILUCYXHQISOOH-NSHDSACASA-N 0 1 356.790 4.168 20 30 FIEDMN Cc1nc2c(s1)[C@H](NCc1cc(C#N)ccc1Br)CCC2 ZINC000921979390 1125133914 /nfs/dbraw/zinc/13/39/14/1125133914.db2.gz DVKXCBDSRNJFLN-CQSZACIVSA-N 0 1 362.296 4.253 20 30 FIEDMN CCOc1cc2c(cc1CN[C@H](C)c1ccc(OCC#N)cc1)O[C@@H](C)C2 ZINC000182010528 1125213486 /nfs/dbraw/zinc/21/34/86/1125213486.db2.gz UFNSHQRIHPMFRB-JKSUJKDBSA-N 0 1 366.461 4.162 20 30 FIEDMN CCOc1cc2c(cc1CN[C@@H](C)c1ccc(OCC#N)cc1)O[C@@H](C)C2 ZINC000182010513 1125213612 /nfs/dbraw/zinc/21/36/12/1125213612.db2.gz UFNSHQRIHPMFRB-HOTGVXAUSA-N 0 1 366.461 4.162 20 30 FIEDMN CCCC[C@@H](NCC(=O)Nc1sccc1C#N)c1ccc(OC)cc1 ZINC000182150362 1125262526 /nfs/dbraw/zinc/26/25/26/1125262526.db2.gz DQXYZPSXQCUWJJ-QGZVFWFLSA-N 0 1 357.479 4.088 20 30 FIEDMN CC(C)(C#N)c1ccc(CN2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000618758533 1125271806 /nfs/dbraw/zinc/27/18/06/1125271806.db2.gz MHFCEXIGYHCCTN-SFHVURJKSA-N 0 1 353.441 4.065 20 30 FIEDMN COC(=O)c1ccccc1-c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)o1 ZINC000618831392 1125290544 /nfs/dbraw/zinc/29/05/44/1125290544.db2.gz OWBGIOSYDCZLOE-NRFANRHFSA-N 0 1 372.424 4.382 20 30 FIEDMN N#Cc1ccc(CN2CCCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000022850413 211366521 /nfs/dbraw/zinc/36/65/21/211366521.db2.gz ZFRMMFAFNIBPFL-UHFFFAOYSA-N 0 1 357.860 4.059 20 30 FIEDMN C=CCNCc1cc(Br)cc(Br)c1OCCC ZINC000020929742 518953738 /nfs/dbraw/zinc/95/37/38/518953738.db2.gz DXSSLMXPGINYOG-UHFFFAOYSA-N 0 1 363.093 4.276 20 30 FIEDMN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188554579 567939302 /nfs/dbraw/zinc/93/93/02/567939302.db2.gz VJLIRDXXJXYMMF-POZUXBRTSA-N 0 1 352.881 4.190 20 30 FIEDMN C=C(C)COc1cc(CN[C@H]2CCOc3c(OC)cccc32)ccc1OC ZINC000603518629 568112082 /nfs/dbraw/zinc/11/20/82/568112082.db2.gz GGPDTXOMIULDBH-SFHVURJKSA-N 0 1 369.461 4.272 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1c1ccsc1 ZINC000603882134 568176477 /nfs/dbraw/zinc/17/64/77/568176477.db2.gz LZFUMYVXMDAJKN-VQIMIIECSA-N 0 1 353.491 4.220 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000302802974 568237927 /nfs/dbraw/zinc/23/79/27/568237927.db2.gz DXKSXMGGONCYRV-AEFFLSMTSA-N 0 1 353.491 4.220 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]1c1cccs1 ZINC000302802974 568237928 /nfs/dbraw/zinc/23/79/28/568237928.db2.gz DXKSXMGGONCYRV-AEFFLSMTSA-N 0 1 353.491 4.220 20 30 FIEDMN N#CC(C(=O)c1cnc2ccsc2c1)c1nc(-c2ccncc2)cs1 ZINC000525796152 568269879 /nfs/dbraw/zinc/26/98/79/568269879.db2.gz VAYWXRBUKRIWNT-ZDUSSCGKSA-N 0 1 362.439 4.305 20 30 FIEDMN N#C[C@@H](C(=O)c1cnc2ccsc2c1)c1nc(-c2ccncc2)cs1 ZINC000525796152 568269880 /nfs/dbraw/zinc/26/98/80/568269880.db2.gz VAYWXRBUKRIWNT-ZDUSSCGKSA-N 0 1 362.439 4.305 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)c(C#N)c1C ZINC000303751729 568281431 /nfs/dbraw/zinc/28/14/31/568281431.db2.gz LZFKQIWRSLVHIH-QILLFSRXSA-N 0 1 365.477 4.282 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N2C[C@H](c3ccccc3C)C[C@@H]2C)c(C#N)c1C ZINC000303751729 568281432 /nfs/dbraw/zinc/28/14/32/568281432.db2.gz LZFKQIWRSLVHIH-QILLFSRXSA-N 0 1 365.477 4.282 20 30 FIEDMN Cc1cc(C)c([C@@H](C)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)c1 ZINC000604504749 568302394 /nfs/dbraw/zinc/30/23/94/568302394.db2.gz PRTNTTOCVRBMIW-QGZVFWFLSA-N 0 1 364.493 4.232 20 30 FIEDMN N#C[C@@H](C(=O)c1csc(Nc2ccccn2)n1)c1ccc2ccccc2n1 ZINC000606146280 568672546 /nfs/dbraw/zinc/67/25/46/568672546.db2.gz MNUFWUGJTQVGKY-CQSZACIVSA-N 0 1 371.425 4.320 20 30 FIEDMN N#CC(C(=O)c1csc(Nc2ccccn2)n1)c1ccc2ccccc2n1 ZINC000606146280 568672548 /nfs/dbraw/zinc/67/25/48/568672548.db2.gz MNUFWUGJTQVGKY-CQSZACIVSA-N 0 1 371.425 4.320 20 30 FIEDMN N#Cc1cccc(COc2cccc(CNCc3ccc(Cl)cn3)c2)c1 ZINC000182684842 1125598596 /nfs/dbraw/zinc/59/85/96/1125598596.db2.gz MVJCEFYHLYPOPS-UHFFFAOYSA-N 0 1 363.848 4.475 20 30 FIEDMN N#Cc1cc(CN2CCC(c3ccc(Br)cc3)CC2)ccn1 ZINC000619723056 1125669538 /nfs/dbraw/zinc/66/95/38/1125669538.db2.gz ROURAYRTOKCCRQ-UHFFFAOYSA-N 0 1 356.267 4.095 20 30 FIEDMN CC(C)(C#N)c1ccc(CN[C@@H](Cn2ccccc2=O)c2ccccc2)cc1 ZINC000619725015 1125671121 /nfs/dbraw/zinc/67/11/21/1125671121.db2.gz SIJRJTLJMMHMOZ-QFIPXVFZSA-N 0 1 371.484 4.181 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@@H](NCc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619755763 1125682057 /nfs/dbraw/zinc/68/20/57/1125682057.db2.gz RTRGCDQOJZOYHP-INIZCTEOSA-N 0 1 372.852 4.457 20 30 FIEDMN COc1ccc(CNCc2ccc(C#N)c(Cl)c2)c(OC(F)F)c1 ZINC000619748234 1125690242 /nfs/dbraw/zinc/69/02/42/1125690242.db2.gz CNAYRUWDLZFCRK-UHFFFAOYSA-N 0 1 352.768 4.111 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2ccsc2)c1 ZINC000619746356 1125690260 /nfs/dbraw/zinc/69/02/60/1125690260.db2.gz PTYYZMMCOVRECY-DLBZAZTESA-N 0 1 355.507 4.351 20 30 FIEDMN Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748262 1125690306 /nfs/dbraw/zinc/69/03/06/1125690306.db2.gz FGJBQRRLUARAAX-UHFFFAOYSA-N 0 1 368.843 4.443 20 30 FIEDMN N#Cc1ccc(CNC(=O)c2c(O)cc(Cl)cc2Cl)cc1Cl ZINC000619780504 1125695001 /nfs/dbraw/zinc/69/50/01/1125695001.db2.gz TZNIQMACZDAJQL-UHFFFAOYSA-N 0 1 355.608 4.154 20 30 FIEDMN Cc1cc([C@@H]2CCCN(c3c(C#N)cnc4c(Cl)cc(C)cc43)C2)[nH]n1 ZINC000619792946 1125707771 /nfs/dbraw/zinc/70/77/71/1125707771.db2.gz XNKSCPBEUKLWDS-CQSZACIVSA-N 0 1 365.868 4.484 20 30 FIEDMN C=CCN(CCc1ccccc1)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430241202 1080066574 /nfs/dbraw/zinc/06/65/74/1080066574.db2.gz GBZNDKSBMNKOOF-UHFFFAOYSA-N 0 1 359.473 4.383 20 30 FIEDMN COc1ccc2[nH]cc(CC(=O)Nc3nc(-c4ccc(C)cc4)n[nH]3)c2c1 ZINC000079033652 1080209806 /nfs/dbraw/zinc/20/98/06/1080209806.db2.gz WILWQTZRSGAMRM-UHFFFAOYSA-N 0 1 361.405 4.101 20 30 FIEDMN C[C@H](NCCOc1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000547747960 1080396093 /nfs/dbraw/zinc/39/60/93/1080396093.db2.gz TUNYPFLCTJRUID-ZDUSSCGKSA-N 0 1 356.376 4.033 20 30 FIEDMN C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)CC(=O)N2C ZINC000728226084 1080578301 /nfs/dbraw/zinc/57/83/01/1080578301.db2.gz HJFAIRCVSGQSDB-PRMNVEQPSA-N 0 1 363.244 4.398 20 30 FIEDMN N#Cc1csc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)c1 ZINC000175770758 1081120545 /nfs/dbraw/zinc/12/05/45/1081120545.db2.gz KOTBAIUHGWAIKJ-UHFFFAOYSA-N 0 1 371.425 4.324 20 30 FIEDMN C=C(C)CN(CC)C(=O)CN[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000063479334 1081293292 /nfs/dbraw/zinc/29/32/92/1081293292.db2.gz DTJBHDMVLJTIFG-HSZRJFAPSA-N 0 1 366.505 4.107 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000579992233 1081378269 /nfs/dbraw/zinc/37/82/69/1081378269.db2.gz ZCTXXVOBDRZHNW-IRXDYDNUSA-N 0 1 369.534 4.065 20 30 FIEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000610346333 1081502483 /nfs/dbraw/zinc/50/24/83/1081502483.db2.gz UJJAFFGOUQQNES-ZIAGYGMSSA-N 0 1 373.859 4.048 20 30 FIEDMN N#Cc1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1F ZINC000616752250 1081754814 /nfs/dbraw/zinc/75/48/14/1081754814.db2.gz OSRNBBMSYHOKID-UHFFFAOYSA-N 0 1 362.408 4.127 20 30 FIEDMN CCCN(CC(=O)N(CC)C[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000064940611 1081950551 /nfs/dbraw/zinc/95/05/51/1081950551.db2.gz MQWBIEMHQVCLDY-IAGOWNOFSA-N 0 1 355.482 4.214 20 30 FIEDMN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000471584144 1081976907 /nfs/dbraw/zinc/97/69/07/1081976907.db2.gz FMFBVYCWVKTOEV-LJQANCHMSA-N 0 1 357.523 4.139 20 30 FIEDMN N#Cc1ccc(CN2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)nc1 ZINC000579855124 1082137645 /nfs/dbraw/zinc/13/76/45/1082137645.db2.gz VGPLDGVGMFASSE-SFHVURJKSA-N 0 1 351.841 4.210 20 30 FIEDMN CC[C@@H]1CN(CCC(C)(C)C#N)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001167447477 1082331559 /nfs/dbraw/zinc/33/15/59/1082331559.db2.gz MEEAVBUTLYAVSY-VQTJNVASSA-N 0 1 371.525 4.438 20 30 FIEDMN N#CCCC1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000581367665 1082495728 /nfs/dbraw/zinc/49/57/28/1082495728.db2.gz LKXLMOZHXQTQNY-UHFFFAOYSA-N 0 1 352.457 4.016 20 30 FIEDMN CCOc1cccc(C=Nc2ccccc2CN2CCSCC2)c1O ZINC000255325862 1082682089 /nfs/dbraw/zinc/68/20/89/1082682089.db2.gz NCEULACFUNMYJC-UHFFFAOYSA-N 0 1 356.491 4.090 20 30 FIEDMN C=CCC[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccco1 ZINC000276433879 1082763739 /nfs/dbraw/zinc/76/37/39/1082763739.db2.gz JICNDVPICDNPRL-AZUAARDMSA-N 0 1 354.450 4.194 20 30 FIEDMN CC(C)c1nc([C@H](C)NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n[nH]1 ZINC000477321855 1082790848 /nfs/dbraw/zinc/79/08/48/1082790848.db2.gz MCSZIOBZEGZBPF-AWEZNQCLSA-N 0 1 374.448 4.034 20 30 FIEDMN C=CCC[C@@H](NCc1ccc(OC)nn1)c1ccc(C(F)(F)F)cc1 ZINC000581738337 1082854932 /nfs/dbraw/zinc/85/49/32/1082854932.db2.gz HMRUCCJADBLUBA-MRXNPFEDSA-N 0 1 351.372 4.301 20 30 FIEDMN C=C1CCC(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001266811740 1082855390 /nfs/dbraw/zinc/85/53/90/1082855390.db2.gz AJUPPTZHPDPRQU-VQIMIIECSA-N 0 1 364.892 4.335 20 30 FIEDMN N#CC(C(=O)c1csc(Br)c1)c1nc(C2CC2)cs1 ZINC000647376917 1083363005 /nfs/dbraw/zinc/36/30/05/1083363005.db2.gz DEKIGJQDOWHWAK-VIFPVBQESA-N 0 1 353.266 4.335 20 30 FIEDMN N#C[C@@H](C(=O)c1csc(Br)c1)c1nc(C2CC2)cs1 ZINC000647376917 1083363016 /nfs/dbraw/zinc/36/30/16/1083363016.db2.gz DEKIGJQDOWHWAK-VIFPVBQESA-N 0 1 353.266 4.335 20 30 FIEDMN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377246 1083363185 /nfs/dbraw/zinc/36/31/85/1083363185.db2.gz ZPYVNHHVIIEIBI-RLCCDNCMSA-N 0 1 365.458 4.105 20 30 FIEDMN C=CCN(Cc1ccc(OCc2noc(C)n2)cc1)Cc1cccc(C#N)c1 ZINC000092504551 1083413260 /nfs/dbraw/zinc/41/32/60/1083413260.db2.gz ZGXYHMUFHZDPFB-UHFFFAOYSA-N 0 1 374.444 4.017 20 30 FIEDMN N#Cc1cccc(NC(=O)CCN2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000610770871 1083473465 /nfs/dbraw/zinc/47/34/65/1083473465.db2.gz PUOVEEBFENZVMU-LJQANCHMSA-N 0 1 374.444 4.255 20 30 FIEDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1OC(F)F ZINC000179714178 1083609324 /nfs/dbraw/zinc/60/93/24/1083609324.db2.gz KTVMBMPTTSVXFN-CZUORRHYSA-N 0 1 373.403 4.228 20 30 FIEDMN CC[C@@H](C)CCCCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000612270532 1083670174 /nfs/dbraw/zinc/67/01/74/1083670174.db2.gz IBYHBTFSRHZWFT-LJQANCHMSA-N 0 1 355.526 4.199 20 30 FIEDMN CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000610812821 1083730385 /nfs/dbraw/zinc/73/03/85/1083730385.db2.gz TYIMQFBOOJNOFC-AWEZNQCLSA-N 0 1 354.429 4.078 20 30 FIEDMN N#Cc1ccc(Br)c(CN[C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000365202224 1083827279 /nfs/dbraw/zinc/82/72/79/1083827279.db2.gz LIIOIAMYDRLHES-QFBILLFUSA-N 0 1 371.278 4.188 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(C3CC3)o2)cc1 ZINC000892501147 1083870251 /nfs/dbraw/zinc/87/02/51/1083870251.db2.gz KNRHVLSONVXCFJ-BLLLJJGKSA-N 0 1 351.406 4.027 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cnc(C3CC3)o2)cc1 ZINC000892501147 1083870266 /nfs/dbraw/zinc/87/02/66/1083870266.db2.gz KNRHVLSONVXCFJ-BLLLJJGKSA-N 0 1 351.406 4.027 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(C3CC3)o2)cc1 ZINC000892501149 1083872314 /nfs/dbraw/zinc/87/23/14/1083872314.db2.gz KNRHVLSONVXCFJ-MLGOLLRUSA-N 0 1 351.406 4.027 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cnc(C3CC3)o2)cc1 ZINC000892501149 1083872332 /nfs/dbraw/zinc/87/23/32/1083872332.db2.gz KNRHVLSONVXCFJ-MLGOLLRUSA-N 0 1 351.406 4.027 20 30 FIEDMN Cc1cc(CN(C)Cc2ccnc(C#N)c2)cc(C)c1OCC(F)(F)F ZINC000610991873 1083937465 /nfs/dbraw/zinc/93/74/65/1083937465.db2.gz VFFUZQHFHJSZSQ-UHFFFAOYSA-N 0 1 363.383 4.143 20 30 FIEDMN C=CCn1c(S[C@@H](C)c2n[nH]c(CC)n2)nnc1-c1ccc(Cl)cc1 ZINC000657232790 1083989443 /nfs/dbraw/zinc/98/94/43/1083989443.db2.gz KUGHEJGQSKMOSD-NSHDSACASA-N 0 1 374.901 4.318 20 30 FIEDMN N#Cc1csc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1 ZINC000084259826 1084015785 /nfs/dbraw/zinc/01/57/85/1084015785.db2.gz KWCTUYURCJIJMU-IBGZPJMESA-N 0 1 358.426 4.015 20 30 FIEDMN CCOc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)ccc1OC(F)F ZINC000728438486 1084171586 /nfs/dbraw/zinc/17/15/86/1084171586.db2.gz GFSOGIBRSHJUDZ-ZZXKWVIFSA-N 0 1 352.308 4.428 20 30 FIEDMN Oc1c(Cl)cc(Cl)cc1/C=N\C1CCC(O)(c2cccnc2)CC1 ZINC000588488900 1084210977 /nfs/dbraw/zinc/21/09/77/1084210977.db2.gz JOVGYPKJDGTGEV-YVNNLAQVSA-N 0 1 365.260 4.343 20 30 FIEDMN C[C@@H](CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000511475388 1084558287 /nfs/dbraw/zinc/55/82/87/1084558287.db2.gz OLYSCGYRJRQCRR-IBGZPJMESA-N 0 1 367.537 4.199 20 30 FIEDMN CCn1ncc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1C1CC1 ZINC000892538859 1084609709 /nfs/dbraw/zinc/60/97/09/1084609709.db2.gz PHBMLFAFIRSFBJ-LBPRGKRZSA-N 0 1 369.375 4.015 20 30 FIEDMN CCn1ncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1C1CC1 ZINC000892538859 1084609714 /nfs/dbraw/zinc/60/97/14/1084609714.db2.gz PHBMLFAFIRSFBJ-LBPRGKRZSA-N 0 1 369.375 4.015 20 30 FIEDMN CC(C)Cn1ncc(C(=O)C(C#N)c2nccc3ccccc32)c1C1CC1 ZINC000582156930 1084724168 /nfs/dbraw/zinc/72/41/68/1084724168.db2.gz DXFSYHDZHHYGQD-GOSISDBHSA-N 0 1 358.445 4.455 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2cccnc2)s1)c1nccc2ccccc21 ZINC000582234480 1084784978 /nfs/dbraw/zinc/78/49/78/1084784978.db2.gz TXYHVZFEFWRYMC-MRXNPFEDSA-N 0 1 356.410 4.243 20 30 FIEDMN COc1cccc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c1OC ZINC000120006290 1084791500 /nfs/dbraw/zinc/79/15/00/1084791500.db2.gz XPOMFURDBDQXKJ-GFCCVEGCSA-N 0 1 372.833 4.457 20 30 FIEDMN COc1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1OC ZINC000120006290 1084791508 /nfs/dbraw/zinc/79/15/08/1084791508.db2.gz XPOMFURDBDQXKJ-GFCCVEGCSA-N 0 1 372.833 4.457 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)NC2(C#N)CCCCC2)c1 ZINC000170627603 1084793708 /nfs/dbraw/zinc/79/37/08/1084793708.db2.gz JJYKKFKZBSSLLW-UHFFFAOYSA-N 0 1 361.489 4.275 20 30 FIEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000660940804 1085324599 /nfs/dbraw/zinc/32/45/99/1085324599.db2.gz YYQKGSIFMYYMQA-YFVAEKQCSA-N 0 1 370.541 4.041 20 30 FIEDMN C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(SCc3ccccc3)c2)C1=O ZINC000582731373 1085521802 /nfs/dbraw/zinc/52/18/02/1085521802.db2.gz CWPCFINDMSMZDV-NRFANRHFSA-N 0 1 366.530 4.198 20 30 FIEDMN C=CCN1CC[C@H](N(C)Cc2cccc(SCc3ccccc3)c2)C1=O ZINC000582731373 1085521810 /nfs/dbraw/zinc/52/18/10/1085521810.db2.gz CWPCFINDMSMZDV-NRFANRHFSA-N 0 1 366.530 4.198 20 30 FIEDMN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C1CCCCCC1 ZINC000102119627 1085643016 /nfs/dbraw/zinc/64/30/16/1085643016.db2.gz NNBZMFXVMRQCQR-CQSZACIVSA-N 0 1 362.857 4.275 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc3sccc3c2)n1 ZINC000473122592 1085689976 /nfs/dbraw/zinc/68/99/76/1085689976.db2.gz ZXVAEBIHMCIFFZ-GFCCVEGCSA-N 0 1 356.428 4.025 20 30 FIEDMN COc1ccccc1CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905065 1085762753 /nfs/dbraw/zinc/76/27/53/1085762753.db2.gz PQVJGDFRPJPTHQ-UHFFFAOYSA-N 0 1 358.441 4.436 20 30 FIEDMN Fc1ccc(-n2cc(CNCC#Cc3ccc(C(F)(F)F)cc3)cn2)cc1 ZINC000237702551 1085835593 /nfs/dbraw/zinc/83/55/93/1085835593.db2.gz QWVVYCQFUWOWRI-UHFFFAOYSA-N 0 1 373.353 4.172 20 30 FIEDMN C=CCOc1ccccc1CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000161513845 1085885394 /nfs/dbraw/zinc/88/53/94/1085885394.db2.gz VHXDMCXCOUTDNC-MRXNPFEDSA-N 0 1 352.434 4.059 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000480132107 1086098828 /nfs/dbraw/zinc/09/88/28/1086098828.db2.gz FFVFJIXJNLGTKE-UHFFFAOYSA-N 0 1 374.444 4.009 20 30 FIEDMN CC[C@](C)(OC)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000796648410 1086446116 /nfs/dbraw/zinc/44/61/16/1086446116.db2.gz BGOAWGQBQFOGJX-BONVTDFDSA-N 0 1 356.369 4.306 20 30 FIEDMN Cc1ccc2oc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)cc2c1 ZINC000611767229 1086651218 /nfs/dbraw/zinc/65/12/18/1086651218.db2.gz IKUXAYINXKPMAS-UHFFFAOYSA-N 0 1 356.429 4.303 20 30 FIEDMN COCC[C@H](NCc1ccnc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000585754873 1086688166 /nfs/dbraw/zinc/68/81/66/1086688166.db2.gz JNNWVOXHCABSKP-KRWDZBQOSA-N 0 1 350.249 4.127 20 30 FIEDMN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000583587862 1086828809 /nfs/dbraw/zinc/82/88/09/1086828809.db2.gz FRQQXNPOGFBNGO-MRXNPFEDSA-N 0 1 372.428 4.035 20 30 FIEDMN COc1cc(OC)c(NC(=O)CN2CCC[C@@H](C3CC3)C2)cc1Cl ZINC000329509706 1086998725 /nfs/dbraw/zinc/99/87/25/1086998725.db2.gz BGVNBHLTKAPGIA-CYBMUJFWSA-N 0 1 352.862 4.067 20 30 FIEDMN C=CCC[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000583881036 1087010297 /nfs/dbraw/zinc/01/02/97/1087010297.db2.gz QCGZLZGEKIQZDJ-SUMWQHHRSA-N 0 1 365.399 4.431 20 30 FIEDMN COCc1c(C(=O)Nc2cc(C#N)ccc2O)sc2cccc(F)c21 ZINC000176826471 1087286122 /nfs/dbraw/zinc/28/61/22/1087286122.db2.gz GYDXJVTVLHSMGF-UHFFFAOYSA-N 0 1 356.378 4.016 20 30 FIEDMN Cc1cc(N2CCOCC2)ccc1NC([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329816805 1087419974 /nfs/dbraw/zinc/41/99/74/1087419974.db2.gz WGBBXNFKWHXLCU-OKZBNKHCSA-N 0 1 357.498 4.126 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)n1 ZINC000892418258 1087688367 /nfs/dbraw/zinc/68/83/67/1087688367.db2.gz QNDNVXYIBNFKLZ-HNNXBMFYSA-N 0 1 371.462 4.313 20 30 FIEDMN CC(C)C[C@](C)(C#N)NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000504567267 1087729763 /nfs/dbraw/zinc/72/97/63/1087729763.db2.gz APBCIOKAWNCDQP-HSZRJFAPSA-N 0 1 363.505 4.377 20 30 FIEDMN C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1SCC#N ZINC000177527142 1088350004 /nfs/dbraw/zinc/35/00/04/1088350004.db2.gz BHGFKKQXILPJRL-WMZOPIPTSA-N 0 1 365.502 4.119 20 30 FIEDMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000115553585 1088369680 /nfs/dbraw/zinc/36/96/80/1088369680.db2.gz ZSOIYHDAJFZOFS-WMZOPIPTSA-N 0 1 365.502 4.119 20 30 FIEDMN C[C@H]1C[C@H](c2ccccc2)CN1CC(=O)Nc1ccccc1SCC#N ZINC000115553585 1088369696 /nfs/dbraw/zinc/36/96/96/1088369696.db2.gz ZSOIYHDAJFZOFS-WMZOPIPTSA-N 0 1 365.502 4.119 20 30 FIEDMN COc1ccc(CN2CCC[C@H]2c2cccnc2)cc1OCCCC#N ZINC000589192558 1088562571 /nfs/dbraw/zinc/56/25/71/1088562571.db2.gz JUHWSCYQJVPXMW-IBGZPJMESA-N 0 1 351.450 4.110 20 30 FIEDMN Cc1nc([C@H]2CCCN2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cs1 ZINC000189795341 1088642424 /nfs/dbraw/zinc/64/24/24/1088642424.db2.gz SZPUVLADCVHRSY-QGZVFWFLSA-N 0 1 374.897 4.142 20 30 FIEDMN CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2CSCC)n1 ZINC000434568818 1088773068 /nfs/dbraw/zinc/77/30/68/1088773068.db2.gz ZRTHCMPYURNCQN-CQSZACIVSA-N 0 1 374.487 4.063 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccccc2CSCC)n1 ZINC000434568818 1088773083 /nfs/dbraw/zinc/77/30/83/1088773083.db2.gz ZRTHCMPYURNCQN-CQSZACIVSA-N 0 1 374.487 4.063 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1O ZINC000190031580 1088827519 /nfs/dbraw/zinc/82/75/19/1088827519.db2.gz UXPWCPVVXIGAMW-UHFFFAOYSA-N 0 1 372.384 4.160 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)Nc3ccccc3C(F)(F)F)[nH]c21 ZINC000505439085 1088830673 /nfs/dbraw/zinc/83/06/73/1088830673.db2.gz UZSAEGZMSUDWSE-NSHDSACASA-N 0 1 358.323 4.136 20 30 FIEDMN CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000434618896 1088867084 /nfs/dbraw/zinc/86/70/84/1088867084.db2.gz YQINLDOSESZTEN-JOCHJYFZSA-N 0 1 367.468 4.401 20 30 FIEDMN CC(C)[C@H](c1ccc(F)cc1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000434618896 1088867101 /nfs/dbraw/zinc/86/71/01/1088867101.db2.gz YQINLDOSESZTEN-JOCHJYFZSA-N 0 1 367.468 4.401 20 30 FIEDMN C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000434902730 1089122721 /nfs/dbraw/zinc/12/27/21/1089122721.db2.gz JGUBJFYEDHQNEE-KDOFPFPSSA-N 0 1 353.853 4.028 20 30 FIEDMN C=CCN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000435138428 1089323248 /nfs/dbraw/zinc/32/32/48/1089323248.db2.gz RSGYOOQEVWEVJT-UHFFFAOYSA-N 0 1 357.461 4.047 20 30 FIEDMN Cc1oc(NC(=O)C[N@@H+](CCc2ccccc2)C2CCCC2)c(C#N)c1C ZINC000435192076 1089405962 /nfs/dbraw/zinc/40/59/62/1089405962.db2.gz GKYZXZFAASKGHV-UHFFFAOYSA-N 0 1 365.477 4.194 20 30 FIEDMN CC(=Cc1ccc(-c2cccc(F)c2)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340486 1089545842 /nfs/dbraw/zinc/54/58/42/1089545842.db2.gz INXSUWBCBLFVHO-FLIBITNWSA-N 0 1 351.406 4.378 20 30 FIEDMN CC(=Cc1ccc(-c2ccc(F)cc2)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340806 1089546286 /nfs/dbraw/zinc/54/62/86/1089546286.db2.gz NMMZIUWUFBKKHQ-LUAWRHEFSA-N 0 1 351.406 4.378 20 30 FIEDMN C=CCN(CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccccc1F ZINC000659850795 1089575064 /nfs/dbraw/zinc/57/50/64/1089575064.db2.gz BFQRQNNXNPUZEP-IBGZPJMESA-N 0 1 356.466 4.317 20 30 FIEDMN C=CCN(CC[C@H]1Sc2ccccc2NC1=O)Cc1ccccc1F ZINC000659850796 1089575546 /nfs/dbraw/zinc/57/55/46/1089575546.db2.gz BFQRQNNXNPUZEP-LJQANCHMSA-N 0 1 356.466 4.317 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CNCc2csc(Br)c2)cc1 ZINC000728711616 1089812960 /nfs/dbraw/zinc/81/29/60/1089812960.db2.gz KJKSGCBGZPINQI-NSHDSACASA-N 0 1 351.269 4.091 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CNCc2csc(Br)c2)cc1 ZINC000728711615 1089813709 /nfs/dbraw/zinc/81/37/09/1089813709.db2.gz KJKSGCBGZPINQI-LLVKDONJSA-N 0 1 351.269 4.091 20 30 FIEDMN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc3c2OCCCO3)s1 ZINC000651352688 1090281287 /nfs/dbraw/zinc/28/12/87/1090281287.db2.gz FXLZOBNFCGKZPG-CYBMUJFWSA-N 0 1 356.447 4.092 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc3c2OCCCO3)s1 ZINC000651352688 1090281294 /nfs/dbraw/zinc/28/12/94/1090281294.db2.gz FXLZOBNFCGKZPG-CYBMUJFWSA-N 0 1 356.447 4.092 20 30 FIEDMN C=CCCCS(=O)(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000416539696 1090434550 /nfs/dbraw/zinc/43/45/50/1090434550.db2.gz YWTOCINRTIDVET-MRXNPFEDSA-N 0 1 367.902 4.039 20 30 FIEDMN N#Cc1nc(-c2ccco2)oc1N1CCN(CC/C=C\c2ccccc2)CC1 ZINC001167739575 1090564284 /nfs/dbraw/zinc/56/42/84/1090564284.db2.gz DQOLNGUVRXPJPA-WTKPLQERSA-N 0 1 374.444 4.032 20 30 FIEDMN Cn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000728776244 1090904770 /nfs/dbraw/zinc/90/47/70/1090904770.db2.gz NIPTVVTZYUCARQ-UHFFFAOYSA-N 0 1 361.361 4.188 20 30 FIEDMN CCc1oc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000162474195 1090973316 /nfs/dbraw/zinc/97/33/16/1090973316.db2.gz NQJZUFIDMITBTI-CYBMUJFWSA-N 0 1 365.216 4.418 20 30 FIEDMN C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](OCC)[C@H](C)C2)cc1OC ZINC000628299391 1091385944 /nfs/dbraw/zinc/38/59/44/1091385944.db2.gz NOEBMKHHLLKYFF-RHSMWYFYSA-N 0 1 353.890 4.160 20 30 FIEDMN C=CCOc1c(Cl)cc(CN2CC[C@@H](OCC)[C@H](C)C2)cc1OC ZINC000628299391 1091385955 /nfs/dbraw/zinc/38/59/55/1091385955.db2.gz NOEBMKHHLLKYFF-RHSMWYFYSA-N 0 1 353.890 4.160 20 30 FIEDMN C=CCCCCCN(C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000150879607 1091827248 /nfs/dbraw/zinc/82/72/48/1091827248.db2.gz QIGITVCMNIMOKC-UHFFFAOYSA-N 0 1 354.248 4.270 20 30 FIEDMN Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)c(OC[C@@H]2CCCO2)c1 ZINC000572083249 1091846814 /nfs/dbraw/zinc/84/68/14/1091846814.db2.gz ICKYDUSKVXSQGI-UNMCSNQZSA-N 0 1 362.473 4.202 20 30 FIEDMN CN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cccc(Cl)c1 ZINC000279370601 1091887249 /nfs/dbraw/zinc/88/72/49/1091887249.db2.gz ISYHTJSBHBOMIL-UHFFFAOYSA-N 0 1 365.868 4.144 20 30 FIEDMN C[C@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000624045493 1091957193 /nfs/dbraw/zinc/95/71/93/1091957193.db2.gz JNZRVOXGYURTER-ZANVPECISA-N 0 1 369.284 4.495 20 30 FIEDMN Cc1ccc(NC(=O)CN(Cc2ccc(C#N)cc2)CC(C)C)cc1F ZINC000521196567 1092574414 /nfs/dbraw/zinc/57/44/14/1092574414.db2.gz NIIYJCYOMBMGOW-UHFFFAOYSA-N 0 1 353.441 4.103 20 30 FIEDMN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(Br)cn1 ZINC000279952553 1092657485 /nfs/dbraw/zinc/65/74/85/1092657485.db2.gz ZPBXDYUQEVPEJM-CQSZACIVSA-N 0 1 373.298 4.045 20 30 FIEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc2ccccc2[nH]c1=O ZINC000512561834 1092932261 /nfs/dbraw/zinc/93/22/61/1092932261.db2.gz MPRNMJITARFGPB-UHFFFAOYSA-N 0 1 350.466 4.296 20 30 FIEDMN C[C@H](NCc1ccc(C#N)cc1OC(F)F)c1ccccc1-n1cccn1 ZINC000573587402 1092948814 /nfs/dbraw/zinc/94/88/14/1092948814.db2.gz NNWWHTKZMUZYCR-AWEZNQCLSA-N 0 1 368.387 4.196 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(C#N)cc1F ZINC000512620069 1092997333 /nfs/dbraw/zinc/99/73/33/1092997333.db2.gz OOUSOYAXGVEPCF-UONOGXRCSA-N 0 1 351.425 4.458 20 30 FIEDMN C[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1ccc(C#N)cc1F ZINC000512618565 1093003385 /nfs/dbraw/zinc/00/33/85/1093003385.db2.gz IYKMLBMWEVUVMN-LBPRGKRZSA-N 0 1 352.331 4.489 20 30 FIEDMN CC(C)(C#N)c1ccc(CN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000614182501 1093083603 /nfs/dbraw/zinc/08/36/03/1093083603.db2.gz UDZOSIJWLNVJQF-GOSISDBHSA-N 0 1 373.294 4.073 20 30 FIEDMN CC(C)(C#N)c1ccc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)cc1 ZINC000614186066 1093092306 /nfs/dbraw/zinc/09/23/06/1093092306.db2.gz QMDZARLFSISHRG-SFHVURJKSA-N 0 1 354.416 4.013 20 30 FIEDMN C=C(CNC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1)c1ccccc1 ZINC000512680856 1093133245 /nfs/dbraw/zinc/13/32/45/1093133245.db2.gz GPTCBDYWRNTFLQ-HXUWFJFHSA-N 0 1 360.461 4.431 20 30 FIEDMN C=C(C)CN(CC)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000522166480 1093133842 /nfs/dbraw/zinc/13/38/42/1093133842.db2.gz ANIPDNFZARTBLN-JOCHJYFZSA-N 0 1 354.469 4.272 20 30 FIEDMN N#Cc1cccc(NC(=O)CCN(Cc2ccco2)Cc2cccs2)c1 ZINC000433032267 1093134400 /nfs/dbraw/zinc/13/44/00/1093134400.db2.gz RICUFHMIAYABBW-UHFFFAOYSA-N 0 1 365.458 4.244 20 30 FIEDMN C[C@@H](N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000453274186 1093176356 /nfs/dbraw/zinc/17/63/56/1093176356.db2.gz CUDKFMXQLDUXCA-XIKOKIGWSA-N 0 1 366.358 4.490 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc3ccccc3o2)cc(OC)c1C(C)C ZINC000512717331 1093193937 /nfs/dbraw/zinc/19/39/37/1093193937.db2.gz WINUVRDOQVOPBN-CQSZACIVSA-N 0 1 364.401 4.458 20 30 FIEDMN COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc(OC)c1C(C)C ZINC000512717331 1093193943 /nfs/dbraw/zinc/19/39/43/1093193943.db2.gz WINUVRDOQVOPBN-CQSZACIVSA-N 0 1 364.401 4.458 20 30 FIEDMN C[C@@H]1C[C@H]1c1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)o1 ZINC000522197636 1093201725 /nfs/dbraw/zinc/20/17/25/1093201725.db2.gz RGRDDVHACBUQHO-OXQOHEQNSA-N 0 1 360.461 4.470 20 30 FIEDMN N#Cc1ccc(OC2CCN(Cc3cc4ccccc4o3)CC2)c(F)c1 ZINC000512806521 1093366292 /nfs/dbraw/zinc/36/62/92/1093366292.db2.gz XCDVNQDMCHMBEQ-UHFFFAOYSA-N 0 1 350.393 4.487 20 30 FIEDMN N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc4nc[nH]c4c3)c2)c1 ZINC000522359770 1093400335 /nfs/dbraw/zinc/40/03/35/1093400335.db2.gz NFJWOAZJWFVHAU-UHFFFAOYSA-N 0 1 368.396 4.266 20 30 FIEDMN N#CC[C@@H](CC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000474195256 1093568511 /nfs/dbraw/zinc/56/85/11/1093568511.db2.gz GUBUMMBTWYPUCJ-VQTJNVASSA-N 0 1 365.477 4.010 20 30 FIEDMN C[C@H](CCC#N)C[N@H+]1CCOc2ccc(NC(=O)OC(C)(C)C)cc2C1 ZINC000895601075 1093619718 /nfs/dbraw/zinc/61/97/18/1093619718.db2.gz WVQDMNWCZRHYFE-OAHLLOKOSA-N 0 1 359.470 4.168 20 30 FIEDMN COc1cc2c(cc1OC)[C@@H](NCc1cc(C#N)cnc1Cl)CCCC2 ZINC000895655775 1093653422 /nfs/dbraw/zinc/65/34/22/1093653422.db2.gz LIJCGMOITSZBSL-KRWDZBQOSA-N 0 1 371.868 4.181 20 30 FIEDMN C=CCc1cc(CN2CCC(c3noc(C(C)C)n3)CC2)cc(OC)c1O ZINC000513045909 1093697541 /nfs/dbraw/zinc/69/75/41/1093697541.db2.gz HVWJPXHINDVZDG-UHFFFAOYSA-N 0 1 371.481 4.015 20 30 FIEDMN N#Cc1ccccc1O[C@@H]1CCCN(Cc2coc3ccc(F)cc23)C1 ZINC001141854577 1093787749 /nfs/dbraw/zinc/78/77/49/1093787749.db2.gz HOPMRLXVRBWUDD-GOSISDBHSA-N 0 1 350.393 4.487 20 30 FIEDMN C=CCS(=O)(=O)CCN[C@@H](CC)c1ccc(Oc2ccccc2)cc1 ZINC000783530508 1093819958 /nfs/dbraw/zinc/81/99/58/1093819958.db2.gz AMEQYXNFZVAISD-FQEVSTJZSA-N 0 1 359.491 4.120 20 30 FIEDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000513091224 1093828961 /nfs/dbraw/zinc/82/89/61/1093828961.db2.gz YTYRRNFMQVDHMY-BVKOHWRASA-N 0 1 367.537 4.242 20 30 FIEDMN Cc1ccc2c(Cl)c(C(=O)C(C#N)C(=O)Nc3ccccn3)sc2c1 ZINC000729186427 1093941433 /nfs/dbraw/zinc/94/14/33/1093941433.db2.gz VDANXVCAMCHGDV-GFCCVEGCSA-N 0 1 369.833 4.219 20 30 FIEDMN N#Cc1ccc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000513179962 1094001122 /nfs/dbraw/zinc/00/11/22/1094001122.db2.gz XMCQCCJBKXAWMJ-IBGZPJMESA-N 0 1 370.840 4.369 20 30 FIEDMN C=C1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000513463089 1094141740 /nfs/dbraw/zinc/14/17/40/1094141740.db2.gz ZXFFEKVYIPPECD-UHFFFAOYSA-N 0 1 368.433 4.334 20 30 FIEDMN N#Cc1ccc(CN(Cc2ccc(CO)cc2)Cc2cccc(F)c2)cc1 ZINC000182860709 1094183946 /nfs/dbraw/zinc/18/39/46/1094183946.db2.gz HHONCZMHFUUSQL-UHFFFAOYSA-N 0 1 360.432 4.392 20 30 FIEDMN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc(Br)cn1 ZINC000280372033 1094331297 /nfs/dbraw/zinc/33/12/97/1094331297.db2.gz KNTZAYMLAYGZFE-CYBMUJFWSA-N 0 1 358.283 4.496 20 30 FIEDMN N#Cc1cccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000501030976 1094429491 /nfs/dbraw/zinc/42/94/91/1094429491.db2.gz HSXJRVLGCLDKQJ-LJQANCHMSA-N 0 1 368.868 4.170 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)n1 ZINC000182558486 1094788232 /nfs/dbraw/zinc/78/82/32/1094788232.db2.gz TULPRLOHWFFJSQ-CQSZACIVSA-N 0 1 366.446 4.289 20 30 FIEDMN O=C(NC1(c2ccc(Cl)cc2)CCCCC1)c1cccn2c(O)nnc12 ZINC000329314576 1094837404 /nfs/dbraw/zinc/83/74/04/1094837404.db2.gz HAPUIRNDWMDFSC-UHFFFAOYSA-N 0 1 370.840 4.253 20 30 FIEDMN C[C@@H]1C[C@H](C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC(=O)N1 ZINC000329351200 1094856672 /nfs/dbraw/zinc/85/66/72/1094856672.db2.gz UBEGGXPUHHAHFK-KMFMINBZSA-N 0 1 363.889 4.188 20 30 FIEDMN O=C(NCC1(C2CC2)CCC1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000329351598 1094856801 /nfs/dbraw/zinc/85/68/01/1094856801.db2.gz UELRRRPCCNNSKM-KRWDZBQOSA-N 0 1 365.481 4.103 20 30 FIEDMN O=C(NCC1(C2CC2)CCC1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000329351598 1094856828 /nfs/dbraw/zinc/85/68/28/1094856828.db2.gz UELRRRPCCNNSKM-KRWDZBQOSA-N 0 1 365.481 4.103 20 30 FIEDMN O=C(Nc1ccccc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329429087 1094901012 /nfs/dbraw/zinc/90/10/12/1094901012.db2.gz HUKIMWZFEZNVQW-INIZCTEOSA-N 0 1 353.470 4.278 20 30 FIEDMN CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000329476840 1094926128 /nfs/dbraw/zinc/92/61/28/1094926128.db2.gz UFVVTXDMXUOAIX-RDBSUJKOSA-N 0 1 358.408 4.032 20 30 FIEDMN O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)[C@@H]1C[C@@]12CCOC2 ZINC000329612361 1095002845 /nfs/dbraw/zinc/00/28/45/1095002845.db2.gz OKTVVBSKYQDQJH-MGPUTAFESA-N 0 1 351.381 4.384 20 30 FIEDMN COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)on1 ZINC000183367539 1095016227 /nfs/dbraw/zinc/01/62/27/1095016227.db2.gz FVBFFRPGYKQODJ-JTQLQIEISA-N 0 1 359.451 4.020 20 30 FIEDMN Cc1cnn([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCC[C@H](c4ccccc4)C3)C2)c1 ZINC000329660465 1095076826 /nfs/dbraw/zinc/07/68/26/1095076826.db2.gz ODTRTPGIUHDMSC-XUVXKRRUSA-N 0 1 352.482 4.079 20 30 FIEDMN Cc1ccccc1[C@H]1C[C@H]([NH+]=C([O-])N2CCc3c(nc(C(C)C)n3C)C2)C1 ZINC000329817629 1095277094 /nfs/dbraw/zinc/27/70/94/1095277094.db2.gz WUIXPLSYZTVEQJ-QAQDUYKDSA-N 0 1 366.509 4.070 20 30 FIEDMN C[C@@H](NC(=O)N(C)C1Cc2ccccc2C1)c1nc(C2CCCCC2)no1 ZINC000329829476 1095282707 /nfs/dbraw/zinc/28/27/07/1095282707.db2.gz JSTKPRQHPVQWOV-CQSZACIVSA-N 0 1 368.481 4.192 20 30 FIEDMN Cc1ccc(C)c(NC(=O)CN2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)c1 ZINC000329859920 1095295752 /nfs/dbraw/zinc/29/57/52/1095295752.db2.gz XAJRMQGHAUIKIN-QGZVFWFLSA-N 0 1 355.486 4.360 20 30 FIEDMN O=C1C=COC2(CCN(c3ccnc4cc(C(F)(F)F)ccc43)CC2)C1 ZINC000896880563 1095312115 /nfs/dbraw/zinc/31/21/15/1095312115.db2.gz IOGMDXCCAWAWBQ-UHFFFAOYSA-N 0 1 362.351 4.096 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+]C[C@H]2CCCCS2)CC1 ZINC000329944159 1095322908 /nfs/dbraw/zinc/32/29/08/1095322908.db2.gz DZSSUOYCWKGTTC-QGZVFWFLSA-N 0 1 372.538 4.181 20 30 FIEDMN O=C(Nc1cccc(COC2CCCCC2)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000330147082 1095394712 /nfs/dbraw/zinc/39/47/12/1095394712.db2.gz IKIXDQCGOVIETP-IBGZPJMESA-N 0 1 368.481 4.472 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CC2(CCCC2)c2c1cccc2F ZINC000330157171 1095399306 /nfs/dbraw/zinc/39/93/06/1095399306.db2.gz ZEKLDUKSACWKHJ-OAHLLOKOSA-N 0 1 354.429 4.172 20 30 FIEDMN CC(C)c1ccc(CN(C(=O)N[C@H]2CCCc3cn[nH]c32)C2CC2)cc1 ZINC000330156713 1095399367 /nfs/dbraw/zinc/39/93/67/1095399367.db2.gz YXIHMQTUKBVMKV-IBGZPJMESA-N 0 1 352.482 4.489 20 30 FIEDMN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@@H]3CCCN3C3CC3)cc2)n1 ZINC000330207855 1095415961 /nfs/dbraw/zinc/41/59/61/1095415961.db2.gz APXJTUGWNJSAEQ-JXFKEZNVSA-N 0 1 352.482 4.133 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CCCc4ccc(C)cc43)C2)n[nH]1 ZINC000330270300 1095442796 /nfs/dbraw/zinc/44/27/96/1095442796.db2.gz TXECSTCXPOEDCS-IEBWSBKVSA-N 0 1 352.482 4.198 20 30 FIEDMN CCOc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1OC ZINC000513750535 1095672073 /nfs/dbraw/zinc/67/20/73/1095672073.db2.gz JVBNIGXCJXOATR-UHFFFAOYSA-N 0 1 366.461 4.009 20 30 FIEDMN C=CCCN(C)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000467303734 1096139538 /nfs/dbraw/zinc/13/95/38/1096139538.db2.gz DZLKIUBCRXIADX-GOSISDBHSA-N 0 1 371.868 4.119 20 30 FIEDMN C=C(C)CN(CC)C(=O)CN1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000515550489 1098691585 /nfs/dbraw/zinc/69/15/85/1098691585.db2.gz UAJZEQVGGXGQHP-UHFFFAOYSA-N 0 1 353.510 4.080 20 30 FIEDMN C=CC1CCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000533287262 1098936339 /nfs/dbraw/zinc/93/63/39/1098936339.db2.gz QTGDCMBQZKAFIU-JOCHJYFZSA-N 0 1 366.530 4.120 20 30 FIEDMN CCN(CC)[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)c1ccccc1 ZINC000505796924 1098952250 /nfs/dbraw/zinc/95/22/50/1098952250.db2.gz RNNQMMHBTXJLLL-RTBURBONSA-N 0 1 355.869 4.104 20 30 FIEDMN CC(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000533402109 1099011399 /nfs/dbraw/zinc/01/13/99/1099011399.db2.gz YBGXHNMIIXQTEH-SJORKVTESA-N 0 1 359.539 4.387 20 30 FIEDMN CC(C)C[C@@H]1CCCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000533402109 1099011413 /nfs/dbraw/zinc/01/14/13/1099011413.db2.gz YBGXHNMIIXQTEH-SJORKVTESA-N 0 1 359.539 4.387 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2csc3ccccc23)n1 ZINC000516350076 1099400868 /nfs/dbraw/zinc/40/08/68/1099400868.db2.gz DHCKDVRIDHTGFS-LLVKDONJSA-N 0 1 356.428 4.025 20 30 FIEDMN COCC[C@H](NCc1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 ZINC000516660414 1099696276 /nfs/dbraw/zinc/69/62/76/1099696276.db2.gz YRVHIBDJJCAUNT-KRWDZBQOSA-N 0 1 350.249 4.127 20 30 FIEDMN CC(C)(CO)[C@H](NCc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000516688475 1099725565 /nfs/dbraw/zinc/72/55/65/1099725565.db2.gz GMPBCZQDZFISRY-GOSISDBHSA-N 0 1 360.404 4.009 20 30 FIEDMN C=CCc1cc(CNCc2cccc3c2OC(C)(C)C3)cc(OC)c1OC ZINC000237478983 1099916283 /nfs/dbraw/zinc/91/62/83/1099916283.db2.gz HWUWQDBZEVNGDV-UHFFFAOYSA-N 0 1 367.489 4.436 20 30 FIEDMN C[C@]1(c2ccccc2)CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000438484728 1100686459 /nfs/dbraw/zinc/68/64/59/1100686459.db2.gz BNESMMZMZZMHPX-DEOSSOPVSA-N 0 1 371.484 4.401 20 30 FIEDMN CC(C)N(Cc1ccccc1C#N)C[C@H](O)COc1cccc2ccccc21 ZINC000517897813 1100773940 /nfs/dbraw/zinc/77/39/40/1100773940.db2.gz BZWMRKWZEDSIOZ-QFIPXVFZSA-N 0 1 374.484 4.362 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)Nc1ccc(C#N)cc1Cl)c1ccco1 ZINC000426153791 1100922716 /nfs/dbraw/zinc/92/27/16/1100922716.db2.gz OPEMHCGXJAXMFO-MRXNPFEDSA-N 0 1 360.845 4.009 20 30 FIEDMN Cc1ccc(C(=O)C2CCN(CCOc3ccccc3C#N)CC2)c(C)c1 ZINC000518372040 1101140309 /nfs/dbraw/zinc/14/03/09/1101140309.db2.gz BBSGZKZYQKTHBB-UHFFFAOYSA-N 0 1 362.473 4.149 20 30 FIEDMN CN1c2ccccc2[C@H](NCc2ccc(-c3ccccc3C#N)cc2)CC1=O ZINC000537013658 1101393233 /nfs/dbraw/zinc/39/32/33/1101393233.db2.gz MOUHDPICOFFBDN-JOCHJYFZSA-N 0 1 367.452 4.423 20 30 FIEDMN N#Cc1ccc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000439455884 1101460200 /nfs/dbraw/zinc/46/02/00/1101460200.db2.gz WMLGPMCOOMREOK-UHFFFAOYSA-N 0 1 371.843 4.201 20 30 FIEDMN C=CCC[C@@H](NCc1cc(=O)c(OC)co1)c1ccc(C(F)(F)F)cc1 ZINC000537129519 1101485492 /nfs/dbraw/zinc/48/54/92/1101485492.db2.gz WVWHBZDTHWEWGE-MRXNPFEDSA-N 0 1 367.367 4.464 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127464149 1101543444 /nfs/dbraw/zinc/54/34/44/1101543444.db2.gz UAIZAYFVNQALEQ-QWHCGFSZSA-N 0 1 361.367 4.255 20 30 FIEDMN C=CCCC[C@@H](C)NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000537267355 1101594154 /nfs/dbraw/zinc/59/41/54/1101594154.db2.gz UPLZGKGJDXLMET-MRXNPFEDSA-N 0 1 367.497 4.106 20 30 FIEDMN COc1cc(CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)ccc1C#N ZINC000518844323 1101652697 /nfs/dbraw/zinc/65/26/97/1101652697.db2.gz ZIERWALZEZQSQX-MRXNPFEDSA-N 0 1 361.367 4.148 20 30 FIEDMN COc1ccc(Br)cc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000537407135 1101752517 /nfs/dbraw/zinc/75/25/17/1101752517.db2.gz NBCKLDZUIZOHAQ-NSHDSACASA-N 0 1 363.230 4.319 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000127519858 1101819333 /nfs/dbraw/zinc/81/93/33/1101819333.db2.gz LQVVXDANLLJIOW-CHWSQXEVSA-N 0 1 361.367 4.255 20 30 FIEDMN N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccncn1 ZINC000760342966 1101926942 /nfs/dbraw/zinc/92/69/42/1101926942.db2.gz AQBDIZXVRZFFBZ-NJYVYQBISA-N 0 1 369.424 4.036 20 30 FIEDMN C=CCCO[C@H](C)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000519124198 1101935476 /nfs/dbraw/zinc/93/54/76/1101935476.db2.gz AKRRZIYMYUPALN-CYBMUJFWSA-N 0 1 353.397 4.289 20 30 FIEDMN N#Cc1ccccc1Oc1ccc(NC(=O)Cc2n[nH]c3ccccc32)cc1 ZINC000050609318 1101955217 /nfs/dbraw/zinc/95/52/17/1101955217.db2.gz LOILCHNXJHFDMA-UHFFFAOYSA-N 0 1 368.396 4.408 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000519168280 1101983640 /nfs/dbraw/zinc/98/36/40/1101983640.db2.gz UDEKQYFHZXRXKK-BBRMVZONSA-N 0 1 350.915 4.056 20 30 FIEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(c2cccc3ccccc32)CC1 ZINC000476294128 1102104348 /nfs/dbraw/zinc/10/43/48/1102104348.db2.gz DWLCHLFMAQYQFD-HSZRJFAPSA-N 0 1 363.505 4.074 20 30 FIEDMN Cc1cc(CN=Nc2cc(CO)ccc2Br)c(C)n1C1CC1 ZINC000841651712 1102132194 /nfs/dbraw/zinc/13/21/94/1102132194.db2.gz IUBJNZRWSSYPNG-UHFFFAOYSA-N 0 1 362.271 4.141 20 30 FIEDMN Cc1cc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)ncc1C#N ZINC001126697269 1102199570 /nfs/dbraw/zinc/19/95/70/1102199570.db2.gz YSYLOXGTRJZHFO-UHFFFAOYSA-N 0 1 359.433 4.438 20 30 FIEDMN CC[C@H](NCc1ccc(OC)c(OCCCC#N)c1)c1c(C)noc1C ZINC000121333809 1102384079 /nfs/dbraw/zinc/38/40/79/1102384079.db2.gz UZJJVLJEBWNBMT-KRWDZBQOSA-N 0 1 357.454 4.224 20 30 FIEDMN CC(C)N(CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000532491336 1102422802 /nfs/dbraw/zinc/42/28/02/1102422802.db2.gz ZMZFQSFYYNURAI-HSZRJFAPSA-N 0 1 361.489 4.036 20 30 FIEDMN CC(C)(C)[C@@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000303601965 1102537503 /nfs/dbraw/zinc/53/75/03/1102537503.db2.gz AGRGESHTZGRYIW-MRXNPFEDSA-N 0 1 359.539 4.389 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(OCC)nc1 ZINC000473776024 1102732122 /nfs/dbraw/zinc/73/21/22/1102732122.db2.gz ZWXKHEMPZBEOLE-UHFFFAOYSA-N 0 1 360.479 4.133 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cncc(Cl)c1 ZINC000473777005 1102736022 /nfs/dbraw/zinc/73/60/22/1102736022.db2.gz PPBLGOJJWZWBSG-UHFFFAOYSA-N 0 1 350.871 4.388 20 30 FIEDMN CC(C)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)nn1C(C)(C)C ZINC000123055429 1102774693 /nfs/dbraw/zinc/77/46/93/1102774693.db2.gz GPLTYROEQHFXMD-CQSZACIVSA-N 0 1 363.465 4.138 20 30 FIEDMN C=C(Br)CNCc1ccc(OCc2cccc(F)c2)cc1 ZINC000729681766 1103037826 /nfs/dbraw/zinc/03/78/26/1103037826.db2.gz LBVLHCGGDCHBDD-UHFFFAOYSA-N 0 1 350.231 4.403 20 30 FIEDMN Cc1c(F)c(C(F)(F)F)ccc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000507020312 1103041739 /nfs/dbraw/zinc/04/17/39/1103041739.db2.gz DJNIXDHSDQCRIH-UHFFFAOYSA-N 0 1 355.213 4.147 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC001211975766 1103134226 /nfs/dbraw/zinc/13/42/26/1103134226.db2.gz PKLGROFCCFSTAG-YOEHRIQHSA-N 0 1 365.424 4.093 20 30 FIEDMN C=CCOc1ccc(CN2CCC(CC(=O)OCC)CC2)cc1Cl ZINC000507335080 1103295071 /nfs/dbraw/zinc/29/50/71/1103295071.db2.gz SZJDVHACWWMZIW-UHFFFAOYSA-N 0 1 351.874 4.070 20 30 FIEDMN N#Cc1ccc(CNCc2ccc(N3CCCCC3)nc2)c(C(F)(F)F)c1 ZINC000519613296 1103555951 /nfs/dbraw/zinc/55/59/51/1103555951.db2.gz NKNVFAWLJUCIAD-UHFFFAOYSA-N 0 1 374.410 4.252 20 30 FIEDMN N#Cc1cccc(OCCCSc2nc(C=Cc3ccccc3)n[nH]2)c1 ZINC000477580564 1103685808 /nfs/dbraw/zinc/68/58/08/1103685808.db2.gz RGHREPUSPUQSIJ-KHPPLWFESA-N 0 1 362.458 4.408 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H]2C2CCC2)c1C#N ZINC000477640927 1103750636 /nfs/dbraw/zinc/75/06/36/1103750636.db2.gz HNLUGRHYGMTIRX-FQEVSTJZSA-N 0 1 368.525 4.295 20 30 FIEDMN CCN(CC)c1ncc(CN2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000537722092 1103894936 /nfs/dbraw/zinc/89/49/36/1103894936.db2.gz XEPZBYUKOVVBDZ-UHFFFAOYSA-N 0 1 352.507 4.150 20 30 FIEDMN CCN(CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CC1 ZINC000440716664 1103913708 /nfs/dbraw/zinc/91/37/08/1103913708.db2.gz QKUWIYXAMCDDFK-LJQANCHMSA-N 0 1 367.880 4.418 20 30 FIEDMN C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000328659756 1104527735 /nfs/dbraw/zinc/52/77/35/1104527735.db2.gz UCPWIRAQAITXAX-IEBWSBKVSA-N 0 1 372.557 4.324 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3c4ccccc4CC[C@H]3C)C2)n[nH]1 ZINC000328676648 1104531797 /nfs/dbraw/zinc/53/17/97/1104531797.db2.gz AEIVTWPQDBATAX-ZTQAJYAQSA-N 0 1 352.482 4.135 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NCC(C)(C)Cc3ccccc3)C2)n[nH]1 ZINC000328735594 1104545775 /nfs/dbraw/zinc/54/57/75/1104545775.db2.gz KSCTVQAPJJCUIX-GOSISDBHSA-N 0 1 354.498 4.080 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)NCC3(Cc4ccccc4)CCC3)C2)n[nH]1 ZINC000328738946 1104546297 /nfs/dbraw/zinc/54/62/97/1104546297.db2.gz MLPKWSMPIXTKNQ-IBGZPJMESA-N 0 1 366.509 4.225 20 30 FIEDMN Cc1cc([C@H]2CCCN(C([O-])=[NH+]CC3(Cc4ccccc4)CCC3)C2)n[nH]1 ZINC000328738946 1104546305 /nfs/dbraw/zinc/54/63/05/1104546305.db2.gz MLPKWSMPIXTKNQ-IBGZPJMESA-N 0 1 366.509 4.225 20 30 FIEDMN Cc1cc([C@H]2CCCN(C([O-])=[NH+]CC3(c4cccc(Cl)c4)CC3)C2)[nH]n1 ZINC000328753238 1104549886 /nfs/dbraw/zinc/54/98/86/1104549886.db2.gz SEPICPLAGQZMOU-HNNXBMFYSA-N 0 1 372.900 4.197 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)NCC3(c4cccc(Cl)c4)CC3)C2)[nH]n1 ZINC000328753238 1104549894 /nfs/dbraw/zinc/54/98/94/1104549894.db2.gz SEPICPLAGQZMOU-HNNXBMFYSA-N 0 1 372.900 4.197 20 30 FIEDMN O=C(N[C@H]1CCc2nc[nH]c2C1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000328931979 1104603610 /nfs/dbraw/zinc/60/36/10/1104603610.db2.gz IDTLMGHLLBYZMM-MMJUYHKESA-N 0 1 367.415 4.372 20 30 FIEDMN CC[C@H](C)C[C@H](C)NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000330737255 1104673378 /nfs/dbraw/zinc/67/33/78/1104673378.db2.gz XYHIFOULHBAMBG-STQMWFEESA-N 0 1 360.424 4.278 20 30 FIEDMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000331065556 1104696781 /nfs/dbraw/zinc/69/67/81/1104696781.db2.gz QLMRFTSQBVVDLI-MRXNPFEDSA-N 0 1 360.502 4.078 20 30 FIEDMN C=CC[C@@H](C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1ccccc1 ZINC000188940116 1104770653 /nfs/dbraw/zinc/77/06/53/1104770653.db2.gz YNODTOPDNDRSBK-UXHICEINSA-N 0 1 352.478 4.201 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cccc(-c3ccoc3)c2)n1 ZINC000536348120 1104773572 /nfs/dbraw/zinc/77/35/72/1104773572.db2.gz IEXHGPXRZNKHKR-HNNXBMFYSA-N 0 1 366.398 4.070 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]2CCC[C@@H]21 ZINC000072693787 1104784598 /nfs/dbraw/zinc/78/45/98/1104784598.db2.gz BPDSJBAOADVCQK-NUJGCVRESA-N 0 1 357.523 4.284 20 30 FIEDMN N#CC(C(=O)C1CCC(F)(F)CC1)c1nc2ccccc2n1C(F)F ZINC000178987578 1105055982 /nfs/dbraw/zinc/05/59/82/1105055982.db2.gz PIWRUGIYGXTSKN-LLVKDONJSA-N 0 1 353.319 4.433 20 30 FIEDMN CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000438654902 1105222463 /nfs/dbraw/zinc/22/24/63/1105222463.db2.gz WONSLPIIQTZCTL-SFHVURJKSA-N 0 1 353.466 4.050 20 30 FIEDMN CC(C)Oc1ccc(NS(=O)(=O)c2csc3ccccc32)cc1C#N ZINC000507916885 1105265684 /nfs/dbraw/zinc/26/56/84/1105265684.db2.gz FKLKIKHAIMHLHI-UHFFFAOYSA-N 0 1 372.471 4.361 20 30 FIEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)C2 ZINC000487405033 1105295479 /nfs/dbraw/zinc/29/54/79/1105295479.db2.gz MCDGRGMAHSCTTP-ROUUACIJSA-N 0 1 364.493 4.189 20 30 FIEDMN N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc4[nH]nnc4c3)cc2)cc1 ZINC000508094286 1105322312 /nfs/dbraw/zinc/32/23/12/1105322312.db2.gz GZJMNTDJIIXFDP-UHFFFAOYSA-N 0 1 369.384 4.069 20 30 FIEDMN C=C[C@@H]1CCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000428050365 1105356034 /nfs/dbraw/zinc/35/60/34/1105356034.db2.gz BJNJWXBOEBETNU-CYBMUJFWSA-N 0 1 360.255 4.020 20 30 FIEDMN Cc1[nH]nc2cc(NC(=O)c3cn(CCCC#N)c4ccccc34)ccc12 ZINC000444348132 1106876254 /nfs/dbraw/zinc/87/62/54/1106876254.db2.gz AJVNAMMVIONXGT-UHFFFAOYSA-N 0 1 357.417 4.382 20 30 FIEDMN C#CCOc1ccc(Br)cc1CNc1ccc2c(c1)CN(C)C2 ZINC000121296904 1106895086 /nfs/dbraw/zinc/89/50/86/1106895086.db2.gz UHIXXUMDYDDAKZ-UHFFFAOYSA-N 0 1 371.278 4.019 20 30 FIEDMN C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc(C#N)cc1 ZINC000530438664 1107040380 /nfs/dbraw/zinc/04/03/80/1107040380.db2.gz RTQOKEWPDLXUDI-YVEFUNNKSA-N 0 1 374.271 4.321 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC[C@]3(CCSC3)C2)c1 ZINC000451978584 1107411481 /nfs/dbraw/zinc/41/14/81/1107411481.db2.gz PCIDRZQVBSLQDD-INIZCTEOSA-N 0 1 351.313 4.040 20 30 FIEDMN C[C@H](c1cnn(C)c1)N(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193094116 1107909764 /nfs/dbraw/zinc/90/97/64/1107909764.db2.gz PWQDRCVVBUYGTB-LJQANCHMSA-N 0 1 358.489 4.313 20 30 FIEDMN C[C@@H](c1cnn(C)c1)N(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193094107 1107910257 /nfs/dbraw/zinc/91/02/57/1107910257.db2.gz PWQDRCVVBUYGTB-IBGZPJMESA-N 0 1 358.489 4.313 20 30 FIEDMN C=C(C)[C@H](NCCC(=O)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000444636468 1108029421 /nfs/dbraw/zinc/02/94/21/1108029421.db2.gz DIUAIFNKZHSYCB-QFIPXVFZSA-N 0 1 370.443 4.147 20 30 FIEDMN C=CCN(C)Cc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC000428375353 1108121477 /nfs/dbraw/zinc/12/14/77/1108121477.db2.gz CJBPKIXOWSQAJG-UHFFFAOYSA-N 0 1 350.203 4.067 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000444765537 1108161445 /nfs/dbraw/zinc/16/14/45/1108161445.db2.gz KDRMWQXHLQEXAD-KRWDZBQOSA-N 0 1 369.509 4.129 20 30 FIEDMN CC(C)[C@@H]1CCCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000444773056 1108168681 /nfs/dbraw/zinc/16/86/81/1108168681.db2.gz QBMGFNJWRILAJX-DLBZAZTESA-N 0 1 359.539 4.245 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCCC23CCC3)c1C#N ZINC000444774519 1108170694 /nfs/dbraw/zinc/17/06/94/1108170694.db2.gz JIVDIJBUJANFQT-UHFFFAOYSA-N 0 1 368.525 4.439 20 30 FIEDMN C=CC[C@H]1N(CC(=O)Nc2ccccc2SCC#N)CCCC1(C)C ZINC000444776180 1108171034 /nfs/dbraw/zinc/17/10/34/1108171034.db2.gz BHMCQAHXRZJNQO-GOSISDBHSA-N 0 1 357.523 4.307 20 30 FIEDMN OCC1(Cc2ccccc2)CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000444795452 1108192467 /nfs/dbraw/zinc/19/24/67/1108192467.db2.gz YMYSBJRTUZFWHG-UHFFFAOYSA-N 0 1 353.893 4.009 20 30 FIEDMN CSc1ccccc1[C@H](C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000440635168 1108389343 /nfs/dbraw/zinc/38/93/43/1108389343.db2.gz JSQBBMIZAMGUNO-LBPRGKRZSA-N 0 1 359.882 4.223 20 30 FIEDMN COc1cc(CNCc2ccnc(O[C@@H](C)CC(C)C)c2)ccc1C#N ZINC000440810162 1108889473 /nfs/dbraw/zinc/88/94/73/1108889473.db2.gz QVVUGJWRIQFORF-INIZCTEOSA-N 0 1 353.466 4.065 20 30 FIEDMN Cc1cccc(S(=O)(=O)Nc2cccc(CCC(F)(F)F)c2)c1C#N ZINC000440835695 1108957792 /nfs/dbraw/zinc/95/77/92/1108957792.db2.gz UQLJCGGCTHXLQZ-UHFFFAOYSA-N 0 1 368.380 4.162 20 30 FIEDMN C=C(C)COc1cc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)ccc1OC ZINC000447055999 1109425099 /nfs/dbraw/zinc/42/50/99/1109425099.db2.gz JRULGJXXDJWILW-UHFFFAOYSA-N 0 1 357.498 4.303 20 30 FIEDMN C=C(C)COc1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000447281219 1109495277 /nfs/dbraw/zinc/49/52/77/1109495277.db2.gz ZYEPCFMLPXPPJP-UHFFFAOYSA-N 0 1 367.854 4.104 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@@H](N[C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000447542697 1109573456 /nfs/dbraw/zinc/57/34/56/1109573456.db2.gz JTNDBNQFXHYDMR-PBHICJAKSA-N 0 1 352.434 4.365 20 30 FIEDMN N#Cc1ccc(N2CCC[C@@H](N(Cc3ccco3)C3CCCC3)C2=O)cc1 ZINC000447851430 1109659596 /nfs/dbraw/zinc/65/95/96/1109659596.db2.gz RLGLDJLJQNTOBB-OAQYLSRUSA-N 0 1 363.461 4.091 20 30 FIEDMN CN(C)[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000527262149 1109727062 /nfs/dbraw/zinc/72/70/62/1109727062.db2.gz SKAHVUVHDDMXCO-UYAOXDASSA-N 0 1 369.896 4.146 20 30 FIEDMN COc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1OCCCC#N ZINC000527773785 1109826346 /nfs/dbraw/zinc/82/63/46/1109826346.db2.gz QWIXZPQDVCTVEY-JOCHJYFZSA-N 0 1 365.477 4.404 20 30 FIEDMN CC(C)(C)c1ncc(CNC2(c3ccc(C#N)cc3)CCOCC2)s1 ZINC000527812856 1109828663 /nfs/dbraw/zinc/82/86/63/1109828663.db2.gz UTEXASHXSWPRRN-UHFFFAOYSA-N 0 1 355.507 4.108 20 30 FIEDMN N#Cc1ccc(CC(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cn1 ZINC000528744617 1110098570 /nfs/dbraw/zinc/09/85/70/1110098570.db2.gz LXCVMYNGXHXXSX-UHFFFAOYSA-N 0 1 359.433 4.058 20 30 FIEDMN COc1ccc([C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C2CC2)cn1 ZINC000528851109 1110131840 /nfs/dbraw/zinc/13/18/40/1110131840.db2.gz KAVJBLSWAQPQTF-SFHVURJKSA-N 0 1 361.367 4.222 20 30 FIEDMN COc1cc(CNCc2ccc(C#N)c(F)c2)ccc1OCCC(C)C ZINC000449733275 1110158418 /nfs/dbraw/zinc/15/84/18/1110158418.db2.gz GZLKYQBZXLAPQJ-UHFFFAOYSA-N 0 1 356.441 4.421 20 30 FIEDMN CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1cccc(C#N)c1 ZINC000026329115 1110168481 /nfs/dbraw/zinc/16/84/81/1110168481.db2.gz NTJRISALXKGSAZ-UHFFFAOYSA-N 0 1 355.441 4.443 20 30 FIEDMN CC(C)c1nc(CNC2(c3ccc(C#N)cc3)CCOCC2)c2ccccn21 ZINC000529678354 1110304670 /nfs/dbraw/zinc/30/46/70/1110304670.db2.gz QDQQTNPVXBYCMU-UHFFFAOYSA-N 0 1 374.488 4.125 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)nn1C1CCCCC1 ZINC000538483809 1111163869 /nfs/dbraw/zinc/16/38/69/1111163869.db2.gz DGHFVHWAPBFAPC-MRXNPFEDSA-N 0 1 361.449 4.074 20 30 FIEDMN C[C@H](C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccc(C#N)c1 ZINC000461925237 1111414318 /nfs/dbraw/zinc/41/43/18/1111414318.db2.gz CAVFIOHOWBSQIJ-DJJJIMSYSA-N 0 1 360.417 4.028 20 30 FIEDMN C[C@H](C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cccc(C#N)c1 ZINC000462061544 1111482475 /nfs/dbraw/zinc/48/24/75/1111482475.db2.gz UKIGQDZTUDYVKX-AWEZNQCLSA-N 0 1 367.412 4.239 20 30 FIEDMN N#Cc1cccc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1F ZINC000539250418 1111486867 /nfs/dbraw/zinc/48/68/67/1111486867.db2.gz VQEPHXPINCJFFA-INIZCTEOSA-N 0 1 355.482 4.412 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2ccc(-c3ccccc3Cl)o2)nc(C)n1 ZINC000041573874 1111704971 /nfs/dbraw/zinc/70/49/71/1111704971.db2.gz RDNGLNCBAGMOAB-AWEZNQCLSA-N 0 1 351.793 4.497 20 30 FIEDMN Cc1cc([C@@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2OC3)nc(C)n1 ZINC000041574855 1111723034 /nfs/dbraw/zinc/72/30/34/1111723034.db2.gz ICHJPNQFYJJVNA-OAHLLOKOSA-N 0 1 361.426 4.204 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2cc3c(s2)-c2ccccc2OC3)nc(C)n1 ZINC000041574855 1111723039 /nfs/dbraw/zinc/72/30/39/1111723039.db2.gz ICHJPNQFYJJVNA-OAHLLOKOSA-N 0 1 361.426 4.204 20 30 FIEDMN CCN(c1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cn1)C(C)C ZINC000478632301 1111838186 /nfs/dbraw/zinc/83/81/86/1111838186.db2.gz QGBUYXQNJTUWFS-OAHLLOKOSA-N 0 1 356.495 4.386 20 30 FIEDMN N#Cc1ccnc(NC[C@H](c2ccccc2)N2CCc3sccc3C2)c1 ZINC000552939266 1111856968 /nfs/dbraw/zinc/85/69/68/1111856968.db2.gz DXBKYJATRPRWBV-LJQANCHMSA-N 0 1 360.486 4.226 20 30 FIEDMN COc1ccc(OC(F)F)c(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000553294103 1111942033 /nfs/dbraw/zinc/94/20/33/1111942033.db2.gz YGZOZLNHYFJVTA-SFHVURJKSA-N 0 1 358.388 4.335 20 30 FIEDMN C=CCC1(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000479088224 1111942347 /nfs/dbraw/zinc/94/23/47/1111942347.db2.gz DJDBEERMXJBZTK-QGZVFWFLSA-N 0 1 366.427 4.142 20 30 FIEDMN COc1ccc(Br)cc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000553314578 1111947120 /nfs/dbraw/zinc/94/71/20/1111947120.db2.gz PUEVAYNDBCSEQJ-GOSISDBHSA-N 0 1 371.278 4.497 20 30 FIEDMN Cc1ccc(/C=C\CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 ZINC000479272152 1111983582 /nfs/dbraw/zinc/98/35/82/1111983582.db2.gz GPAFEUUKEOPDDY-YVMONPNESA-N 0 1 373.500 4.073 20 30 FIEDMN N#CC(C(=O)c1ccc2oc(=O)[nH]c2c1)c1nc2cc(Cl)ccc2s1 ZINC000553999060 1112157311 /nfs/dbraw/zinc/15/73/11/1112157311.db2.gz BKTLYYFZEMUOFR-JTQLQIEISA-N 0 1 369.789 4.287 20 30 FIEDMN CC[C@@H](C)n1nc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1C ZINC000480940047 1112688344 /nfs/dbraw/zinc/68/83/44/1112688344.db2.gz JJIPVOXLELARMJ-YPMHNXCESA-N 0 1 371.391 4.397 20 30 FIEDMN C=C(C)[C@@H](NCCC(=O)Nc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000481600795 1112992811 /nfs/dbraw/zinc/99/28/11/1112992811.db2.gz ZTUKWZXTTPSKOI-HXUWFJFHSA-N 0 1 360.404 4.209 20 30 FIEDMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2SCCC#N)c1 ZINC000160008577 1113279516 /nfs/dbraw/zinc/27/95/16/1113279516.db2.gz GWDOFXOVKNPGHP-UHFFFAOYSA-N 0 1 374.487 4.086 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccccn2)s1)c1nccc2ccccc21 ZINC000483193953 1113461185 /nfs/dbraw/zinc/46/11/85/1113461185.db2.gz JKRYLMFIMFTGFN-OAHLLOKOSA-N 0 1 356.410 4.243 20 30 FIEDMN N#CC(C(=O)c1cccc(OCC(F)(F)F)n1)c1nccc2ccccc21 ZINC000483218951 1113467858 /nfs/dbraw/zinc/46/78/58/1113467858.db2.gz IRFGAQUOKLGGHL-AWEZNQCLSA-N 0 1 371.318 4.061 20 30 FIEDMN N#C[C@H](C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1nccc2ccccc21 ZINC000483243720 1113470775 /nfs/dbraw/zinc/47/07/75/1113470775.db2.gz MQIDHBCCGHRRMG-KRWDZBQOSA-N 0 1 356.360 4.254 20 30 FIEDMN N#CC(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1nccc2ccccc21 ZINC000483243720 1113470779 /nfs/dbraw/zinc/47/07/79/1113470779.db2.gz MQIDHBCCGHRRMG-KRWDZBQOSA-N 0 1 356.360 4.254 20 30 FIEDMN N#C[C@H](C(=O)c1cnc(Oc2ccccc2)cn1)c1nccc2ccccc21 ZINC000483232200 1113472784 /nfs/dbraw/zinc/47/27/84/1113472784.db2.gz GOPKLEIVGRCTDS-SFHVURJKSA-N 0 1 366.380 4.307 20 30 FIEDMN N#CC(C(=O)c1cnc(Oc2ccccc2)cn1)c1nccc2ccccc21 ZINC000483232200 1113472789 /nfs/dbraw/zinc/47/27/89/1113472789.db2.gz GOPKLEIVGRCTDS-SFHVURJKSA-N 0 1 366.380 4.307 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)c1ccc(C#N)s1)c1ccccc1Cl ZINC000486624012 1113607611 /nfs/dbraw/zinc/60/76/11/1113607611.db2.gz DABZYZPOTRNXRV-MRXNPFEDSA-N 0 1 361.898 4.086 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)ccc1OC ZINC000486723588 1113630463 /nfs/dbraw/zinc/63/04/63/1113630463.db2.gz RRLJKKIZRPVWSD-GJZGRUSLSA-N 0 1 358.486 4.133 20 30 FIEDMN N#Cc1csc(CN[C@H]2CSc3ccc(Br)cc32)c1 ZINC000486804021 1113653471 /nfs/dbraw/zinc/65/34/71/1113653471.db2.gz RRHKOWVMAOQWHQ-ZDUSSCGKSA-N 0 1 351.294 4.319 20 30 FIEDMN C[C@H](C#N)C(=O)Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000488297483 1113903533 /nfs/dbraw/zinc/90/35/33/1113903533.db2.gz LMDJCCHQGMWERS-SNVBAGLBSA-N 0 1 369.222 4.091 20 30 FIEDMN C=CCC(CC=C)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000911252683 1113961176 /nfs/dbraw/zinc/96/11/76/1113961176.db2.gz TXZZPTBVYABREG-LJQANCHMSA-N 0 1 355.869 4.306 20 30 FIEDMN CCn1c2ccccc2nc1[C@H]1CCCN1CCOc1ccc(C#N)cc1 ZINC000490166492 1114228462 /nfs/dbraw/zinc/22/84/62/1114228462.db2.gz YBELKHLWQGWUPZ-OAQYLSRUSA-N 0 1 360.461 4.144 20 30 FIEDMN Cn1cc(CN2CCSC3(CCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490567719 1114304157 /nfs/dbraw/zinc/30/41/57/1114304157.db2.gz MOTJWZAFKRZUDL-UHFFFAOYSA-N 0 1 366.534 4.210 20 30 FIEDMN COc1ccc(S[C@@H](C)C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000054736789 1114386702 /nfs/dbraw/zinc/38/67/02/1114386702.db2.gz YIYBYNZYHNKXGG-WFASDCNBSA-N 0 1 352.415 4.193 20 30 FIEDMN N#CCCCCCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000588350868 1114576777 /nfs/dbraw/zinc/57/67/77/1114576777.db2.gz NIBXPZQPXVHYHZ-UHFFFAOYSA-N 0 1 361.917 4.142 20 30 FIEDMN N#CCCCCCC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000588669873 1114587611 /nfs/dbraw/zinc/58/76/11/1114587611.db2.gz WSVCHPYFRHCTFV-KRWDZBQOSA-N 0 1 357.502 4.032 20 30 FIEDMN CCN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000056222329 1114669466 /nfs/dbraw/zinc/66/94/66/1114669466.db2.gz KSYBVAVAAYZKAO-AWEZNQCLSA-N 0 1 362.408 4.311 20 30 FIEDMN N#CCCC1CCN(Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000573086265 1115048093 /nfs/dbraw/zinc/04/80/93/1115048093.db2.gz CDYHKFCQUAJUNS-UHFFFAOYSA-N 0 1 353.441 4.315 20 30 FIEDMN N#CCC[C@H](C#N)CNCC1(c2ccc(Br)cc2Cl)CC1 ZINC000591373491 1115070644 /nfs/dbraw/zinc/07/06/44/1115070644.db2.gz JGWRIDKPTQYFPA-GFCCVEGCSA-N 0 1 366.690 4.167 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000045820603 1115083859 /nfs/dbraw/zinc/08/38/59/1115083859.db2.gz FQDVMZIIOVFRJF-QWHCGFSZSA-N 0 1 361.367 4.255 20 30 FIEDMN CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000592154727 1115212131 /nfs/dbraw/zinc/21/21/31/1115212131.db2.gz UHMIOFKBGNZOAU-ZWKOTPCHSA-N 0 1 350.466 4.256 20 30 FIEDMN N#Cc1cnn2cc(C[N@H+]3CCCCC[C@@H]3/C=C\c3cccs3)cnc12 ZINC000592507716 1115334273 /nfs/dbraw/zinc/33/42/73/1115334273.db2.gz YSHNUAORTRBPTJ-JTHGQSKGSA-N 0 1 363.490 4.120 20 30 FIEDMN N#Cc1cnn2cc(CN3CCCCC[C@@H]3/C=C\c3cccs3)cnc12 ZINC000592507716 1115334275 /nfs/dbraw/zinc/33/42/75/1115334275.db2.gz YSHNUAORTRBPTJ-JTHGQSKGSA-N 0 1 363.490 4.120 20 30 FIEDMN N#Cc1cccc(C2(NCc3cnc(-c4ccco4)s3)CCOCC2)c1 ZINC000594978978 1115500303 /nfs/dbraw/zinc/50/03/03/1115500303.db2.gz DWNLIBXDLRSVHE-UHFFFAOYSA-N 0 1 365.458 4.070 20 30 FIEDMN C[C@@H](NCc1cccc(COC[C@@H]2CCCO2)c1)c1ccc(C#N)cc1F ZINC000595100859 1115515965 /nfs/dbraw/zinc/51/59/65/1115515965.db2.gz BINHJKOHNALPAR-UZLBHIALSA-N 0 1 368.452 4.244 20 30 FIEDMN CC(C)(CO)[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1cccnc1 ZINC000595500993 1115538952 /nfs/dbraw/zinc/53/89/52/1115538952.db2.gz QLYOGLJVSXNUGV-HSZRJFAPSA-N 0 1 371.484 4.470 20 30 FIEDMN CC(C)n1cc(C2=CCCN(Cc3ccc(C#N)cc3Cl)CC2)nn1 ZINC000595527655 1115540418 /nfs/dbraw/zinc/54/04/18/1115540418.db2.gz WHSHVIVDSUUZAO-UHFFFAOYSA-N 0 1 355.873 4.063 20 30 FIEDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CNC(C)(C)c1cccc(C#N)c1 ZINC000595636613 1115551979 /nfs/dbraw/zinc/55/19/79/1115551979.db2.gz SVTHUKSYBFJWKQ-UHFFFAOYSA-N 0 1 353.422 4.279 20 30 FIEDMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595641007 1115554288 /nfs/dbraw/zinc/55/42/88/1115554288.db2.gz WIXALUVEWZHYLR-HNNXBMFYSA-N 0 1 369.896 4.256 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595785687 1115563452 /nfs/dbraw/zinc/56/34/52/1115563452.db2.gz FYZQKGKDQUXHKW-MAUKXSAKSA-N 0 1 363.299 4.102 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](C2CCC2)C1 ZINC000595837702 1115564004 /nfs/dbraw/zinc/56/40/04/1115564004.db2.gz RQSXXLLQUULAMD-FUHWJXTLSA-N 0 1 371.550 4.389 20 30 FIEDMN CCN(Cc1nc(C#N)cs1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595865699 1115564498 /nfs/dbraw/zinc/56/44/98/1115564498.db2.gz JCXVGFNHSYAKRH-GFCCVEGCSA-N 0 1 353.413 4.487 20 30 FIEDMN N#CCSc1ccccc1NC(=O)CN1CCCC[C@@H]1CC1CCC1 ZINC000595873215 1115567593 /nfs/dbraw/zinc/56/75/93/1115567593.db2.gz YTCGHZMIUNTBPN-QGZVFWFLSA-N 0 1 357.523 4.285 20 30 FIEDMN N#CC[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000597173927 1115646416 /nfs/dbraw/zinc/64/64/16/1115646416.db2.gz NTKZOPVDZFSIAA-GOSISDBHSA-N 0 1 357.461 4.060 20 30 FIEDMN N#Cc1ccc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000060483369 1115646468 /nfs/dbraw/zinc/64/64/68/1115646468.db2.gz LHKXENUCCJNGKJ-UHFFFAOYSA-N 0 1 368.864 4.185 20 30 FIEDMN Cc1nn(-c2cccc(Br)c2)cc1CN1CCC[C@H](CC#N)C1 ZINC000597177446 1115646708 /nfs/dbraw/zinc/64/67/08/1115646708.db2.gz MJDCCRBZUJFWIN-OAHLLOKOSA-N 0 1 373.298 4.069 20 30 FIEDMN C[C@@H](CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000593354650 1115666850 /nfs/dbraw/zinc/66/68/50/1115666850.db2.gz JSPHZDJSXRGHCF-SFHVURJKSA-N 0 1 367.537 4.245 20 30 FIEDMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000597724998 1115682766 /nfs/dbraw/zinc/68/27/66/1115682766.db2.gz KITPYLUBQZKPMG-BUXKBTBVSA-N 0 1 356.857 4.210 20 30 FIEDMN N#Cc1c2c(sc1NC(=O)c1ocnc1C(F)F)CCCCCC2 ZINC000602244644 1115691364 /nfs/dbraw/zinc/69/13/64/1115691364.db2.gz HRXAQBVCUUJBFP-UHFFFAOYSA-N 0 1 351.378 4.457 20 30 FIEDMN C[C@@H]1C[C@H](C)Cc2c(C#N)c(NC(=O)c3ocnc3C(F)F)sc21 ZINC000602342934 1115699477 /nfs/dbraw/zinc/69/94/77/1115699477.db2.gz NIUKIMYZVVXSLB-JGVFFNPUSA-N 0 1 351.378 4.483 20 30 FIEDMN Cc1oc(-c2ccccc2)nc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602912724 1115732007 /nfs/dbraw/zinc/73/20/07/1115732007.db2.gz PTUPRINEPSFTPM-UHFFFAOYSA-N 0 1 358.445 4.296 20 30 FIEDMN COc1cc(CN[C@H](CCCC#N)c2ccccc2)c(Br)cn1 ZINC000598617352 1115740525 /nfs/dbraw/zinc/74/05/25/1115740525.db2.gz JBESABJNGVFEIT-QGZVFWFLSA-N 0 1 374.282 4.377 20 30 FIEDMN CCCN(CC(=O)N(C)[C@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000061001760 1115747500 /nfs/dbraw/zinc/74/75/00/1115747500.db2.gz MWBAYUNGUHQSLW-QGZVFWFLSA-N 0 1 367.468 4.129 20 30 FIEDMN CC(C)(C)OC(=O)[C@H]1C[C@H](NCc2cc(C#N)cs2)c2ccccc21 ZINC000593692229 1115797470 /nfs/dbraw/zinc/79/74/70/1115797470.db2.gz WCHKATNKHPATKQ-ROUUACIJSA-N 0 1 354.475 4.280 20 30 FIEDMN N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3O)cn2)c1 ZINC000603622159 1115799862 /nfs/dbraw/zinc/79/98/62/1115799862.db2.gz MQMGOKYGZMKVNB-UHFFFAOYSA-N 0 1 365.776 4.357 20 30 FIEDMN Cc1ccc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1C#N ZINC000599390217 1115813783 /nfs/dbraw/zinc/81/37/83/1115813783.db2.gz HWMVMNOXBLINBH-QGZVFWFLSA-N 0 1 368.786 4.362 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCCC(F)(F)CC2)c1 ZINC000599553301 1115825913 /nfs/dbraw/zinc/82/59/13/1115825913.db2.gz ZAEUDIIWTJMXEP-QGZVFWFLSA-N 0 1 363.452 4.060 20 30 FIEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603890215 1115826697 /nfs/dbraw/zinc/82/66/97/1115826697.db2.gz UBLWMRSMHIJMHR-APWZRJJASA-N 0 1 372.472 4.246 20 30 FIEDMN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1Cc1ccncc1C#N ZINC000599653324 1115835918 /nfs/dbraw/zinc/83/59/18/1115835918.db2.gz UPPHNCHLFREEKW-CZUORRHYSA-N 0 1 356.267 4.094 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc4[nH]c(C(F)F)nc4c3)[nH]c21 ZINC000605363068 1115891108 /nfs/dbraw/zinc/89/11/08/1115891108.db2.gz GBCXNECMRPRGNP-NSHDSACASA-N 0 1 365.343 4.175 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(F)cc(Br)c3)[nH]c21 ZINC000605363565 1115891615 /nfs/dbraw/zinc/89/16/15/1115891615.db2.gz KBVXZAQFYMQJKA-ZDUSSCGKSA-N 0 1 372.197 4.263 20 30 FIEDMN N#CC(C(=O)C1(c2cccc(F)c2)CC1)c1nc2ccccc2n1C(F)F ZINC000172186349 1115924236 /nfs/dbraw/zinc/92/42/36/1115924236.db2.gz ZVMWDDVWQKMFMT-CQSZACIVSA-N 0 1 369.346 4.479 20 30 FIEDMN N#Cc1ccc(C2(NCC(=O)Nc3cc(Cl)ccc3Cl)CCC2)cc1 ZINC000594032665 1115967809 /nfs/dbraw/zinc/96/78/09/1115967809.db2.gz ZGKNOVKDEPOCSF-UHFFFAOYSA-N 0 1 374.271 4.473 20 30 FIEDMN C[C@@H]1CN(Cc2ccc(CNc3c(F)cc(C#N)cc3F)cc2)C[C@@H](C)O1 ZINC000063508693 1116076722 /nfs/dbraw/zinc/07/67/22/1116076722.db2.gz QAMXRKNGYFJPSY-HUUCEWRRSA-N 0 1 371.431 4.058 20 30 FIEDMN CC(C)N(CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000063751043 1116105489 /nfs/dbraw/zinc/10/54/89/1116105489.db2.gz WJOZHCVJYWALNV-MRXNPFEDSA-N 0 1 369.896 4.299 20 30 FIEDMN CC(C)[N@@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491218263 1116129906 /nfs/dbraw/zinc/12/99/06/1116129906.db2.gz WJKQXQOREIEOEV-UHFFFAOYSA-N 0 1 350.491 4.431 20 30 FIEDMN C=CC[C@@H](C(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000457069026 1116243157 /nfs/dbraw/zinc/24/31/57/1116243157.db2.gz NDALOXYQWIYFFA-GOSISDBHSA-N 0 1 368.443 4.222 20 30 FIEDMN N#CCCn1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c(-c2ccccc2)n1 ZINC000535067435 1116266498 /nfs/dbraw/zinc/26/64/98/1116266498.db2.gz IBVSVCWOCVYQOR-OAQYLSRUSA-N 0 1 357.461 4.196 20 30 FIEDMN N#CCCn1cc(CN2CCC[C@@H]2c2ccccn2)c(-c2ccccc2)n1 ZINC000535067435 1116266500 /nfs/dbraw/zinc/26/65/00/1116266500.db2.gz IBVSVCWOCVYQOR-OAQYLSRUSA-N 0 1 357.461 4.196 20 30 FIEDMN CC(F)(F)CC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000428779306 1116292010 /nfs/dbraw/zinc/29/20/10/1116292010.db2.gz DZOMAQPKRPIMHM-UHFFFAOYSA-N 0 1 357.229 4.201 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c(C#N)c1C ZINC000539422997 1116334895 /nfs/dbraw/zinc/33/48/95/1116334895.db2.gz BDJCHKLQNBLVMW-XNPNBVRTSA-N 0 1 371.868 4.347 20 30 FIEDMN N#CC(C(=O)c1cc(Cl)cc2c1OCC2)c1nc2ccccc2s1 ZINC000463065000 1117948935 /nfs/dbraw/zinc/94/89/35/1117948935.db2.gz SJYHZRPIGAUGFN-CYBMUJFWSA-N 0 1 354.818 4.375 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@H](C)c1ccc(Br)s1 ZINC000443314564 1118006294 /nfs/dbraw/zinc/00/62/94/1118006294.db2.gz CEQHDRWERFHNQZ-SNVBAGLBSA-N 0 1 351.269 4.242 20 30 FIEDMN CC[C@H](NCc1ccc(C#N)cc1OC(F)F)c1ccc2c(c1)OCCO2 ZINC000540376758 1118012532 /nfs/dbraw/zinc/01/25/32/1118012532.db2.gz RTQMXJABGFYDAB-INIZCTEOSA-N 0 1 374.387 4.172 20 30 FIEDMN OC[C@@]1(Cc2ccccc2)CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000463442725 1118165512 /nfs/dbraw/zinc/16/55/12/1118165512.db2.gz VSAXPRYNCDZCOE-JOCHJYFZSA-N 0 1 353.893 4.009 20 30 FIEDMN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)c(F)c1 ZINC000540707643 1118194792 /nfs/dbraw/zinc/19/47/92/1118194792.db2.gz AVQAKLYCAHPQKQ-LSDHHAIUSA-N 0 1 351.425 4.236 20 30 FIEDMN FC(F)(F)c1ccc(C#CCNCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000540802936 1118255124 /nfs/dbraw/zinc/25/51/24/1118255124.db2.gz CHAAEJKXFIPTTN-UHFFFAOYSA-N 0 1 355.363 4.237 20 30 FIEDMN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC(CC#N)CC2)cc1 ZINC000541022223 1118351811 /nfs/dbraw/zinc/35/18/11/1118351811.db2.gz VSIDGPAEGAVFRJ-OAQYLSRUSA-N 0 1 367.537 4.273 20 30 FIEDMN C[C@H](NCC(=O)NC1CCCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541083744 1118375942 /nfs/dbraw/zinc/37/59/42/1118375942.db2.gz BVTFLNYXUJKTFD-KRWDZBQOSA-N 0 1 361.489 4.325 20 30 FIEDMN COc1cc(Br)ccc1CCCN(CCC#N)CC1CC1 ZINC000541350997 1118483103 /nfs/dbraw/zinc/48/31/03/1118483103.db2.gz RVPDQRJUOVBDHN-UHFFFAOYSA-N 0 1 351.288 4.016 20 30 FIEDMN CCC(CC)n1nccc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464422562 1118559304 /nfs/dbraw/zinc/55/93/04/1118559304.db2.gz VVQVXXLOSGJECW-ZDUSSCGKSA-N 0 1 350.344 4.148 20 30 FIEDMN CC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(Cl)s1 ZINC000541626984 1118588114 /nfs/dbraw/zinc/58/81/14/1118588114.db2.gz KTSYXQLCYHRLDH-GFCCVEGCSA-N 0 1 351.859 4.162 20 30 FIEDMN N#Cc1cc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)ccc1Cl ZINC000541775760 1118637389 /nfs/dbraw/zinc/63/73/89/1118637389.db2.gz BJUACXQCRWSFOY-UHFFFAOYSA-N 0 1 373.803 4.402 20 30 FIEDMN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000464766731 1118686892 /nfs/dbraw/zinc/68/68/92/1118686892.db2.gz DNTWTRDVGDLGPY-UZUQRXQVSA-N 0 1 361.489 4.155 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc([C@H]4CCCOC4)cc3)[nH]c21 ZINC000541880817 1118687215 /nfs/dbraw/zinc/68/72/15/1118687215.db2.gz BMCGMXLNZAIREE-ZWKOTPCHSA-N 0 1 359.429 4.255 20 30 FIEDMN Cc1ccc(CCN(Cc2ccc(F)cc2C#N)C[C@H]2CCCO2)cc1 ZINC000464768451 1118688182 /nfs/dbraw/zinc/68/81/82/1118688182.db2.gz APBBNUHZVVWHLA-JOCHJYFZSA-N 0 1 352.453 4.230 20 30 FIEDMN N#Cc1ccc(F)c(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000443655996 1118751497 /nfs/dbraw/zinc/75/14/97/1118751497.db2.gz KVPAOHDACFQUSU-AWEZNQCLSA-N 0 1 353.372 4.357 20 30 FIEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000464939691 1118765563 /nfs/dbraw/zinc/76/55/63/1118765563.db2.gz XXJJVLAOEDPKTH-GHTZIAJQSA-N 0 1 374.419 4.128 20 30 FIEDMN CCOc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000491806363 1118984820 /nfs/dbraw/zinc/98/48/20/1118984820.db2.gz GYKQEPJYBCWESX-UHFFFAOYSA-N 0 1 351.406 4.030 20 30 FIEDMN N#Cc1ccc(Br)c(CSc2nc(-c3ccccc3)n[nH]2)c1 ZINC000491931938 1118993004 /nfs/dbraw/zinc/99/30/04/1118993004.db2.gz LIFXQSIPJVJRHC-UHFFFAOYSA-N 0 1 371.263 4.398 20 30 FIEDMN COc1cccc(Oc2ccc(CNCc3ccc(C#N)c(C)c3)cn2)c1 ZINC000443971953 1119135328 /nfs/dbraw/zinc/13/53/28/1119135328.db2.gz LGVFETHBVSEBKR-UHFFFAOYSA-N 0 1 359.429 4.352 20 30 FIEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H]1CCCCC1(C)C ZINC000152340374 1119213431 /nfs/dbraw/zinc/21/34/31/1119213431.db2.gz IQILRVHYVAMIAH-JKSUJKDBSA-N 0 1 356.466 4.339 20 30 FIEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2ccnc(OCC(F)(F)F)c2)n1 ZINC000177765168 1119350525 /nfs/dbraw/zinc/35/05/25/1119350525.db2.gz JBGPBRPBAJCTJQ-NSHDSACASA-N 0 1 369.368 4.093 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccnc(OCC(F)(F)F)c2)n1 ZINC000177765168 1119350530 /nfs/dbraw/zinc/35/05/30/1119350530.db2.gz JBGPBRPBAJCTJQ-NSHDSACASA-N 0 1 369.368 4.093 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(OC[C@@H]3CCCO3)c2)n1 ZINC000177777336 1119351180 /nfs/dbraw/zinc/35/11/80/1119351180.db2.gz LTLYHFXUAMDENP-IRXDYDNUSA-N 0 1 370.474 4.314 20 30 FIEDMN FC(F)(F)c1ccc(C#CCNCc2cncc(Br)c2)cc1 ZINC000183725721 1119580460 /nfs/dbraw/zinc/58/04/60/1119580460.db2.gz FYZFHWXWRXOLJA-UHFFFAOYSA-N 0 1 369.184 4.004 20 30 FIEDMN C=CC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1C)c1ccccc1 ZINC000186176862 1119711862 /nfs/dbraw/zinc/71/18/62/1119711862.db2.gz NNSVHYRSPIMVHT-OAQYLSRUSA-N 0 1 363.505 4.045 20 30 FIEDMN Cc1nc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)[nH]c1-c1ccccc1 ZINC000187120462 1119767756 /nfs/dbraw/zinc/76/77/56/1119767756.db2.gz GQXUTLOAQSPKCM-HNNXBMFYSA-N 0 1 368.506 4.208 20 30 FIEDMN CCCCn1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1 ZINC000187483738 1119785960 /nfs/dbraw/zinc/78/59/60/1119785960.db2.gz HFTLSZALARKBAV-CYBMUJFWSA-N 0 1 371.391 4.227 20 30 FIEDMN CCCCn1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c(C)n1 ZINC000187483738 1119785964 /nfs/dbraw/zinc/78/59/64/1119785964.db2.gz HFTLSZALARKBAV-CYBMUJFWSA-N 0 1 371.391 4.227 20 30 FIEDMN Cn1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000194181295 1120247309 /nfs/dbraw/zinc/24/73/09/1120247309.db2.gz MSZNKPFUOWVSQP-OAHLLOKOSA-N 0 1 358.426 4.187 20 30 FIEDMN C=CC[C@H](CO)CN[C@@H](c1ccccc1)c1ccccc1Br ZINC000495061372 1120449014 /nfs/dbraw/zinc/44/90/14/1120449014.db2.gz COOFFFVNENMSFW-KXBFYZLASA-N 0 1 360.295 4.313 20 30 FIEDMN Cn1cc(N=NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 ZINC000761881435 1120562644 /nfs/dbraw/zinc/56/26/44/1120562644.db2.gz NBONJVIQBJCIRP-UHFFFAOYSA-N 0 1 371.784 4.220 20 30 FIEDMN Cc1cc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)ccc1C#N ZINC000487878564 1120623999 /nfs/dbraw/zinc/62/39/99/1120623999.db2.gz PIJGAXFGLRUSCA-UHFFFAOYSA-N 0 1 372.390 4.379 20 30 FIEDMN N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000915085302 1120795276 /nfs/dbraw/zinc/79/52/76/1120795276.db2.gz KMLKVJKUVALDCD-HXUWFJFHSA-N 0 1 352.397 4.471 20 30 FIEDMN CCc1ccc([C@@H](C)NCc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000915215586 1120872036 /nfs/dbraw/zinc/87/20/36/1120872036.db2.gz YTIULYCJYGIIJO-BEFAXECRSA-N 0 1 370.456 4.137 20 30 FIEDMN CC(=NNc1c(F)cc(F)cc1Br)c1ccc(C#N)s1 ZINC000762447409 1120908756 /nfs/dbraw/zinc/90/87/56/1120908756.db2.gz BZHRNMLQVQJAND-UHFFFAOYSA-N 0 1 356.195 4.497 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1cccs1 ZINC000542575107 1121001891 /nfs/dbraw/zinc/00/18/91/1121001891.db2.gz WBUGKRAKMWBKSD-AWEZNQCLSA-N 0 1 373.547 4.463 20 30 FIEDMN Cc1ccc(C=Cc2n[nH]c(SCCCOc3ccc(C#N)cc3)n2)o1 ZINC000915795568 1121061318 /nfs/dbraw/zinc/06/13/18/1121061318.db2.gz PHTZHGDLQUIDLQ-KTKRTIGZSA-N 0 1 366.446 4.309 20 30 FIEDMN C=CCCOCCCCC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615820485 1121280750 /nfs/dbraw/zinc/28/07/50/1121280750.db2.gz IUOVEKWJUPPWKK-AWEZNQCLSA-N 0 1 363.889 4.499 20 30 FIEDMN COc1cc(C=NNc2cc(C)nc(C)n2)c(-c2ccccc2)cc1OC ZINC000915967489 1121356184 /nfs/dbraw/zinc/35/61/84/1121356184.db2.gz JFSZHVMROACVAE-UHFFFAOYSA-N 0 1 362.433 4.224 20 30 FIEDMN Cn1c(N=NCc2cc3ccccc3nc2Cl)nnc1-c1ccccc1 ZINC000915968439 1121357534 /nfs/dbraw/zinc/35/75/34/1121357534.db2.gz HYAKPTLCXNTMBH-UHFFFAOYSA-N 0 1 362.824 4.130 20 30 FIEDMN COc1cc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OC ZINC000915976725 1121359382 /nfs/dbraw/zinc/35/93/82/1121359382.db2.gz YIQVLFVYKPOLIN-UHFFFAOYSA-N 0 1 370.192 4.365 20 30 FIEDMN CC(=NNCc1cccc2cccnc21)c1[nH]c(-c2ccccc2)nc1C ZINC000915962486 1121364177 /nfs/dbraw/zinc/36/41/77/1121364177.db2.gz JTFLIGWTWKAZIX-UHFFFAOYSA-N 0 1 355.445 4.447 20 30 FIEDMN Cc1nn(Cc2ccc(C)cc2)c(C)c1C=NNc1ccccc1[N+](=O)[O-] ZINC000916249374 1121457210 /nfs/dbraw/zinc/45/72/10/1121457210.db2.gz HKWMXSJQGFDIDZ-UHFFFAOYSA-N 0 1 363.421 4.211 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2sccc2OC)ccc1OC ZINC000186211247 1121754348 /nfs/dbraw/zinc/75/43/48/1121754348.db2.gz MYNLFVSQMYCHIC-UKRRQHHQSA-N 0 1 360.479 4.297 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2noc3c2CCCC3)cc1 ZINC000916951175 1121973461 /nfs/dbraw/zinc/97/34/61/1121973461.db2.gz XOTUASWCLBUKHN-CXAGYDPISA-N 0 1 365.433 4.028 20 30 FIEDMN CCCCC1CCC(C(=O)C(C#N)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000916952556 1121974932 /nfs/dbraw/zinc/97/49/32/1121974932.db2.gz LETAKAYBKANDCP-RJYAGPCLSA-N 0 1 356.466 4.339 20 30 FIEDMN CC1(C)Cc2cccc(C(=O)C(C#N)c3cc(C(F)(F)F)ccn3)c2O1 ZINC000654996431 1122003075 /nfs/dbraw/zinc/00/30/75/1122003075.db2.gz USZDBKGPIZEHJK-AWEZNQCLSA-N 0 1 360.335 4.304 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cccc(F)c1 ZINC000066814198 1122098800 /nfs/dbraw/zinc/09/88/00/1122098800.db2.gz WAEBEBUOCZMRNP-LBPRGKRZSA-N 0 1 350.440 4.021 20 30 FIEDMN CCN(CC)[C@@H](C(=O)N(C)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000497397058 1122215447 /nfs/dbraw/zinc/21/54/47/1122215447.db2.gz LFYUNVNOLMBXOE-MRXNPFEDSA-N 0 1 369.431 4.096 20 30 FIEDMN CCN(CC(=O)N[C@H](c1ccccc1)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000497594124 1122303764 /nfs/dbraw/zinc/30/37/64/1122303764.db2.gz QKGINSUQURTSMK-JPYJTQIMSA-N 0 1 363.505 4.455 20 30 FIEDMN COc1cccc(CC/N=C/c2cc(Cl)cc(Cl)c2O)c1OC ZINC000917556653 1122360099 /nfs/dbraw/zinc/36/00/99/1122360099.db2.gz HJFGEQKKJSPCBD-KEBDBYFISA-N 0 1 354.233 4.378 20 30 FIEDMN COc1cccc(O)c1/C=N\C[C@H](c1ccccc1OC)N1CCCCC1 ZINC000917557262 1122361260 /nfs/dbraw/zinc/36/12/60/1122361260.db2.gz CTRWZOPVWIKCAU-IQJJTXKVSA-N 0 1 368.477 4.056 20 30 FIEDMN N#Cc1cccc(COc2cccc(CNCc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000069784231 1122674474 /nfs/dbraw/zinc/67/44/74/1122674474.db2.gz ILMQDDYYMIOWDB-UHFFFAOYSA-N 0 1 373.412 4.335 20 30 FIEDMN C[C@H]1CCc2nc(CNCCSCc3ccccc3C#N)sc2C1 ZINC000498362205 1122745224 /nfs/dbraw/zinc/74/52/24/1122745224.db2.gz FMQUSTLFEQZYGA-AWEZNQCLSA-N 0 1 357.548 4.163 20 30 FIEDMN N#Cc1ccc(CN2CCCN(c3ccc(F)c(F)c3)CC2)c(Cl)c1 ZINC000556531325 1122945526 /nfs/dbraw/zinc/94/55/26/1122945526.db2.gz TUSNJDJBPMMITB-UHFFFAOYSA-N 0 1 361.823 4.202 20 30 FIEDMN CC(C)C[C@@H]1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000072492085 1123069249 /nfs/dbraw/zinc/06/92/49/1123069249.db2.gz PNEKBQGSAHTSAZ-IRXDYDNUSA-N 0 1 359.539 4.245 20 30 FIEDMN Cc1ccc([C@@H](C)N(C)CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000072578053 1123093771 /nfs/dbraw/zinc/09/37/71/1123093771.db2.gz VIUQTMFOMWZGKP-MRXNPFEDSA-N 0 1 353.491 4.242 20 30 FIEDMN CCC(CC)C[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000072692845 1123124445 /nfs/dbraw/zinc/12/44/45/1123124445.db2.gz UBXBZTAXLAOJHJ-UHFFFAOYSA-N 0 1 372.538 4.089 20 30 FIEDMN CCC(CC)CN(CCC#N)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000072692845 1123124447 /nfs/dbraw/zinc/12/44/47/1123124447.db2.gz UBXBZTAXLAOJHJ-UHFFFAOYSA-N 0 1 372.538 4.089 20 30 FIEDMN CO[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1 ZINC000920142226 1123382688 /nfs/dbraw/zinc/38/26/88/1123382688.db2.gz TVMVSLQWEKPJGJ-XLIONFOSSA-N 0 1 373.437 4.246 20 30 FIEDMN [O-]c1c(Cl)cc(Cl)cc1/C=N/CC[N@@H+]1CCc2sccc2C1 ZINC000920175657 1123404028 /nfs/dbraw/zinc/40/40/28/1123404028.db2.gz ZLHPJFUOKGLDLB-DJKKODMXSA-N 0 1 355.290 4.238 20 30 FIEDMN [O-]c1c(Cl)cc(Cl)cc1/C=N/CC[N@H+]1CCc2sccc2C1 ZINC000920175657 1123404031 /nfs/dbraw/zinc/40/40/31/1123404031.db2.gz ZLHPJFUOKGLDLB-DJKKODMXSA-N 0 1 355.290 4.238 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCC[C@H]2C)cc1Cl ZINC000920792387 1123520295 /nfs/dbraw/zinc/52/02/95/1123520295.db2.gz PQTINXOYCWPJML-VNHYZAJKSA-N 0 1 362.857 4.212 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)o1 ZINC000609414886 1123708112 /nfs/dbraw/zinc/70/81/12/1123708112.db2.gz RWZOPTRBTXXBJC-IBGZPJMESA-N 0 1 367.493 4.414 20 30 FIEDMN O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000064372426 1123721265 /nfs/dbraw/zinc/72/12/65/1123721265.db2.gz OEAPWXWVHRQOPG-UHFFFAOYSA-N 0 1 359.842 4.291 20 30 FIEDMN N#Cc1ccc(N2CCC[C@@H](NCc3c(F)cccc3Cl)C2)c(F)c1 ZINC000609466621 1123722114 /nfs/dbraw/zinc/72/21/14/1123722114.db2.gz UVKXUJCZOODTKV-CQSZACIVSA-N 0 1 361.823 4.248 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](c3ccco3)C2)c1 ZINC000609540166 1123747854 /nfs/dbraw/zinc/74/78/54/1123747854.db2.gz RUFKATULSVDFRJ-OALUTQOASA-N 0 1 365.477 4.021 20 30 FIEDMN CCN(C[C@@H](C)C#N)C(=O)[C@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC000609620081 1123771262 /nfs/dbraw/zinc/77/12/62/1123771262.db2.gz QCJMJXNPFFMORR-YOEHRIQHSA-N 0 1 369.431 4.096 20 30 FIEDMN COc1ccc(CN[C@@H]2CSc3ccccc32)cc1OCCCC#N ZINC000609805013 1123840327 /nfs/dbraw/zinc/84/03/27/1123840327.db2.gz KSAAAUGVEXNINU-QGZVFWFLSA-N 0 1 354.475 4.314 20 30 FIEDMN N#CC(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000609959468 1123897193 /nfs/dbraw/zinc/89/71/93/1123897193.db2.gz YOGAVLQQPILDDB-LBPRGKRZSA-N 0 1 357.778 4.348 20 30 FIEDMN C=CCCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000610078240 1123934489 /nfs/dbraw/zinc/93/44/89/1123934489.db2.gz RBHOENZEUXYQQW-UHFFFAOYSA-N 0 1 357.479 4.017 20 30 FIEDMN COCCCOc1cccc(C(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080452131 1123966394 /nfs/dbraw/zinc/96/63/94/1123966394.db2.gz LDRWKKXMNXCNQM-INIZCTEOSA-N 0 1 358.463 4.172 20 30 FIEDMN N#CCCN(C(=O)CNC1(c2cccc(F)c2)CC1)c1cccc(Cl)c1 ZINC000179693238 1124032509 /nfs/dbraw/zinc/03/25/09/1124032509.db2.gz NXCNYSCBZNIWFF-UHFFFAOYSA-N 0 1 371.843 4.005 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nn1-c1cc(C)cc(C)c1 ZINC000179830459 1124112302 /nfs/dbraw/zinc/11/23/02/1124112302.db2.gz JIBGNRXBDFTZLK-QGZVFWFLSA-N 0 1 369.428 4.164 20 30 FIEDMN C#CCOc1ccc(CN[C@H](Cc2ccc(C)cc2)c2ccccn2)cc1 ZINC000237823532 1124118575 /nfs/dbraw/zinc/11/85/75/1124118575.db2.gz WNQXNUWYZMJGPT-XMMPIXPASA-N 0 1 356.469 4.476 20 30 FIEDMN CC(C)COc1ccc(C(C)(C)NCC(=O)Nc2sccc2C#N)cc1 ZINC000107899850 1124186064 /nfs/dbraw/zinc/18/60/64/1124186064.db2.gz HBUPFOYECJXOLW-UHFFFAOYSA-N 0 1 371.506 4.118 20 30 FIEDMN N#CCCn1cc(CN2CCS[C@H]3CCCC[C@H]32)c(-c2ccccc2)n1 ZINC000245700289 1124208926 /nfs/dbraw/zinc/20/89/26/1124208926.db2.gz DBONWEVCINNUPC-UXHICEINSA-N 0 1 366.534 4.324 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000108251723 1124269761 /nfs/dbraw/zinc/26/97/61/1124269761.db2.gz IDQQSXOWIKGRFF-LLVKDONJSA-N 0 1 368.430 4.017 20 30 FIEDMN N#Cc1ccc2nc(NC3CCN(Cc4ccc(F)cc4)CC3)ccc2c1 ZINC000301974022 1124273850 /nfs/dbraw/zinc/27/38/50/1124273850.db2.gz KNBARKCVYOGKCE-UHFFFAOYSA-N 0 1 360.436 4.322 20 30 FIEDMN COc1cccc([C@H]2[C@H](Nc3ccc(Cl)c(C#N)n3)CC[N@H+]2C2CC2)c1 ZINC000302018312 1124276706 /nfs/dbraw/zinc/27/67/06/1124276706.db2.gz CVAYFTKTVJVCGV-XLIONFOSSA-N 0 1 368.868 4.005 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4ccc([N+](=O)[O-])cc4C#N)C3)[nH]c2c1 ZINC000302059732 1124280746 /nfs/dbraw/zinc/28/07/46/1124280746.db2.gz SJNXANJFOOAIKS-CQSZACIVSA-N 0 1 361.405 4.035 20 30 FIEDMN COc1ccc([C@H](CNc2cc(C(C)=O)ccc2C#N)N2CCCC2)cc1 ZINC000302131868 1124286870 /nfs/dbraw/zinc/28/68/70/1124286870.db2.gz YIADLNOAWXRBAW-QFIPXVFZSA-N 0 1 363.461 4.018 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4ccc(Cl)c(C#N)n4)C3)[nH]c2c1 ZINC000302149386 1124288073 /nfs/dbraw/zinc/28/80/73/1124288073.db2.gz SRFDDPSEBVLCNB-ZDUSSCGKSA-N 0 1 351.841 4.175 20 30 FIEDMN CC(C)(C)N1CC[C@@H](Nc2ccc(C#N)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302160368 1124290448 /nfs/dbraw/zinc/29/04/48/1124290448.db2.gz JQGRYDBAEDSJMI-SJLPKXTDSA-N 0 1 373.863 4.167 20 30 FIEDMN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(Br)cc2C#N)C1 ZINC000554238997 1124311115 /nfs/dbraw/zinc/31/11/15/1124311115.db2.gz ZCZSYUFRXZYIFP-JKSUJKDBSA-N 0 1 353.329 4.427 20 30 FIEDMN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000765908116 1124412848 /nfs/dbraw/zinc/41/28/48/1124412848.db2.gz JVVBGQOKBDWAJK-PMACEKPBSA-N 0 1 371.444 4.264 20 30 FIEDMN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)c(Br)c1 ZINC000404818248 1124485618 /nfs/dbraw/zinc/48/56/18/1124485618.db2.gz CDTQNOYOMZOLLB-JTQLQIEISA-N 0 1 351.194 4.450 20 30 FIEDMN Cc1ccc(C[C@H](C#N)Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)cc1 ZINC000303835705 1124497891 /nfs/dbraw/zinc/49/78/91/1124497891.db2.gz ARWDGHHXKOMCBE-MRXNPFEDSA-N 0 1 356.401 4.285 20 30 FIEDMN CC[C@H]1CCCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000247201129 1124598938 /nfs/dbraw/zinc/59/89/38/1124598938.db2.gz TUMUCBPGRBXJJA-SJORKVTESA-N 0 1 359.539 4.389 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186491979 1124706947 /nfs/dbraw/zinc/70/69/47/1124706947.db2.gz IIZHTNNXIMJCKZ-UHFFFAOYSA-N 0 1 370.443 4.250 20 30 FIEDMN COc1ccccc1-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC000110590739 1124760720 /nfs/dbraw/zinc/76/07/20/1124760720.db2.gz UQFMHGNKPPKTKJ-UHFFFAOYSA-N 0 1 364.426 4.035 20 30 FIEDMN N#Cc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000007405736 1124900691 /nfs/dbraw/zinc/90/06/91/1124900691.db2.gz NQXCOPPILMEXGE-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN CCCN(CCc1cccc(F)c1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075743351 1124919110 /nfs/dbraw/zinc/91/91/10/1124919110.db2.gz FQGGVYALSQFGBC-UHFFFAOYSA-N 0 1 364.424 4.202 20 30 FIEDMN C[C@H](NCc1cccnc1OC1CCCC1)c1ccc(OCC#N)cc1 ZINC000181488848 1124976330 /nfs/dbraw/zinc/97/63/30/1124976330.db2.gz PFNMTFLDRCWXHQ-INIZCTEOSA-N 0 1 351.450 4.156 20 30 FIEDMN COC[C@H](NCc1cccc(OCCCC#N)c1)c1ccc(F)c(F)c1 ZINC000091070995 1125039450 /nfs/dbraw/zinc/03/94/50/1125039450.db2.gz ZBEVWFAUVURVOM-FQEVSTJZSA-N 0 1 360.404 4.125 20 30 FIEDMN N#CC(C(=O)c1ccc2oc(=O)[nH]c2c1)c1nc(-c2ccccc2)cs1 ZINC000672581920 1125188548 /nfs/dbraw/zinc/18/85/48/1125188548.db2.gz VUZJFKKEOUSCNG-CYBMUJFWSA-N 0 1 361.382 4.147 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@@H](N[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000618570107 1125208315 /nfs/dbraw/zinc/20/83/15/1125208315.db2.gz NEGLCFUOSNACIF-PBHICJAKSA-N 0 1 352.434 4.365 20 30 FIEDMN COc1cc(Br)ccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618743066 1125260880 /nfs/dbraw/zinc/26/08/80/1125260880.db2.gz VQGVQAVELHCHQU-KRWDZBQOSA-N 0 1 357.251 4.106 20 30 FIEDMN CNC([O-])=[NH+][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000543020025 1125426515 /nfs/dbraw/zinc/42/65/15/1125426515.db2.gz CTEQNQGZFIIAID-QMMMGPOBSA-N 0 1 368.199 4.257 20 30 FIEDMN Cc1ccccc1-n1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cn1 ZINC000601931486 567879237 /nfs/dbraw/zinc/87/92/37/567879237.db2.gz UBKGCPKZMAXUSA-SFHVURJKSA-N 0 1 352.397 4.219 20 30 FIEDMN Cc1ccccc1-n1cc(C(=O)C(C#N)c2ccc3ccccc3n2)cn1 ZINC000601931486 567879238 /nfs/dbraw/zinc/87/92/38/567879238.db2.gz UBKGCPKZMAXUSA-SFHVURJKSA-N 0 1 352.397 4.219 20 30 FIEDMN Cc1ncc([C@H](C)NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 ZINC000602954421 568028566 /nfs/dbraw/zinc/02/85/66/568028566.db2.gz DMMBKFSGSPQCKD-STQMWFEESA-N 0 1 374.535 4.135 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000066814194 568070971 /nfs/dbraw/zinc/07/09/71/568070971.db2.gz RGJJREIMVMUWIN-NSHDSACASA-N 0 1 368.430 4.160 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H]2C(C)C)c1C#N ZINC000063618797 568104927 /nfs/dbraw/zinc/10/49/27/568104927.db2.gz ZNIHBJLDPZFICL-IBGZPJMESA-N 0 1 356.514 4.151 20 30 FIEDMN CN(CC(=O)N(CCC#N)c1ccccc1)Cc1cccc2ccccc21 ZINC000603850428 568164766 /nfs/dbraw/zinc/16/47/66/568164766.db2.gz CLYKRSRXXAFNAQ-UHFFFAOYSA-N 0 1 357.457 4.218 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1c1ccsc1 ZINC000603882133 568176428 /nfs/dbraw/zinc/17/64/28/568176428.db2.gz LZFUMYVXMDAJKN-QFBILLFUSA-N 0 1 353.491 4.220 20 30 FIEDMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C#N)Cc2ccccc2)n1 ZINC000604029840 568199926 /nfs/dbraw/zinc/19/99/26/568199926.db2.gz HSKRCOYVVPRLGH-AWEZNQCLSA-N 0 1 370.865 4.361 20 30 FIEDMN CCC(=O)c1ccc(O)c(NC(=O)CCCCOc2cccc(C#N)c2)c1 ZINC000436644237 568231855 /nfs/dbraw/zinc/23/18/55/568231855.db2.gz IHSOMSJPFGSJTP-UHFFFAOYSA-N 0 1 366.417 4.044 20 30 FIEDMN C=CCN1C(=O)c2ccccc2N[C@]12CC[N@@H+](Cc1ccccc1)[C@@H](C)C2 ZINC000604414328 568279220 /nfs/dbraw/zinc/27/92/20/568279220.db2.gz KWMOOEMSCPYWFT-FDDCHVKYSA-N 0 1 361.489 4.121 20 30 FIEDMN N#Cc1cccc(COc2cccc(NC(=O)c3cccc4cn[nH]c43)c2)c1 ZINC000032290544 568385830 /nfs/dbraw/zinc/38/58/30/568385830.db2.gz PSEGOPSDZHUDBN-UHFFFAOYSA-N 0 1 368.396 4.266 20 30 FIEDMN COc1ccc2oc([C@H](C)NCc3ccc(C#N)c(OC)c3)c(C)c2c1 ZINC000619653853 1125647900 /nfs/dbraw/zinc/64/79/00/1125647900.db2.gz JJEWWIVSVIRVLS-AWEZNQCLSA-N 0 1 350.418 4.481 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(-n2cncn2)cc1Cl ZINC000619755335 1125681209 /nfs/dbraw/zinc/68/12/09/1125681209.db2.gz XHMIZLDEQLNAPR-GFCCVEGCSA-N 0 1 372.259 4.297 20 30 FIEDMN COc1cc2c(cc1NS(=O)(=O)CCC(C)(C)C#N)oc1ccccc12 ZINC000619866669 1125719459 /nfs/dbraw/zinc/71/94/59/1125719459.db2.gz PXZRMAKKBGWILD-UHFFFAOYSA-N 0 1 372.446 4.276 20 30 FIEDMN N#CC(C(=O)c1ccn(-c2cccc(F)c2)n1)c1ccc2ccccc2n1 ZINC000620058249 1125766186 /nfs/dbraw/zinc/76/61/86/1125766186.db2.gz ZOEDDBNGDMDUSR-QGZVFWFLSA-N 0 1 356.360 4.050 20 30 FIEDMN N#CCSCCC[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430222261 1080018022 /nfs/dbraw/zinc/01/80/22/1080018022.db2.gz VCJKIXMIAAFIIQ-HNNXBMFYSA-N 0 1 357.292 4.372 20 30 FIEDMN N#CCSCCCN1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430222261 1080018029 /nfs/dbraw/zinc/01/80/29/1080018029.db2.gz VCJKIXMIAAFIIQ-HNNXBMFYSA-N 0 1 357.292 4.372 20 30 FIEDMN C=CCCCCCCCCN1CCCn2c(Cn3cccc3)nnc2C1 ZINC001209444002 1080705749 /nfs/dbraw/zinc/70/57/49/1080705749.db2.gz JRGYDJJJVMJDHS-UHFFFAOYSA-N 0 1 355.530 4.250 20 30 FIEDMN CC[C@H]1CCCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC001167157704 1080763104 /nfs/dbraw/zinc/76/31/04/1080763104.db2.gz OSGAEIFCQZLFKD-SFHVURJKSA-N 0 1 364.493 4.169 20 30 FIEDMN COc1cc([N+](=O)[O-])ccc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC001167240315 1080895823 /nfs/dbraw/zinc/89/58/23/1080895823.db2.gz BXEQZJHTWOQSLU-UHFFFAOYSA-N 0 1 353.422 4.133 20 30 FIEDMN Cc1cccnc1[C@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000118840686 1081215644 /nfs/dbraw/zinc/21/56/44/1081215644.db2.gz RRPSMKWWWXRVEE-RDTXWAMCSA-N 0 1 370.884 4.229 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccco2)s1)c1ccc(C(F)(F)F)cn1 ZINC000510309435 1081433084 /nfs/dbraw/zinc/43/30/84/1081433084.db2.gz GBRQFMIQOIRYDU-SNVBAGLBSA-N 0 1 363.320 4.307 20 30 FIEDMN COc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1OCCCC#N ZINC000255194477 1081843718 /nfs/dbraw/zinc/84/37/18/1081843718.db2.gz WRLPFTFXMKSGQZ-DAXSKMNVSA-N 0 1 355.365 4.119 20 30 FIEDMN Fc1ccc2c(c1)[C@@H](ON=Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000588384769 1082064311 /nfs/dbraw/zinc/06/43/11/1082064311.db2.gz FLEQNQUEYFQOHD-NRFANRHFSA-N 0 1 354.425 4.090 20 30 FIEDMN CN1CCN(c2ccc(CNc3ccc(-c4ccc(C#N)o4)cc3)cc2)CC1 ZINC001167434762 1082139321 /nfs/dbraw/zinc/13/93/21/1082139321.db2.gz WOBOHGYJIGLWJE-UHFFFAOYSA-N 0 1 372.472 4.182 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000177860048 1082216067 /nfs/dbraw/zinc/21/60/67/1082216067.db2.gz BFIKVUHVSROPFY-GFCCVEGCSA-N 0 1 352.331 4.489 20 30 FIEDMN N#Cc1ccc(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)c(F)c1 ZINC000177861732 1082240859 /nfs/dbraw/zinc/24/08/59/1082240859.db2.gz IJYXNDAOUQSVTR-QGZVFWFLSA-N 0 1 350.315 4.373 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C3=CCCC3)cc2)n1 ZINC000581163779 1082353623 /nfs/dbraw/zinc/35/36/23/1082353623.db2.gz WTACIDKGFBCFQI-INIZCTEOSA-N 0 1 366.442 4.377 20 30 FIEDMN CC(C)NC(=O)c1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430619460 1082724901 /nfs/dbraw/zinc/72/49/01/1082724901.db2.gz BGKRPTYAGZIBNT-OAHLLOKOSA-N 0 1 369.490 4.069 20 30 FIEDMN C=CCOc1cc(OC)ccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000156070806 1082898372 /nfs/dbraw/zinc/89/83/72/1082898372.db2.gz CNPQPAAXPIFNDL-OAHLLOKOSA-N 0 1 356.447 4.330 20 30 FIEDMN COc1ccc(Br)cc1[C@@H]1CCCN1CCCSCC#N ZINC000074989891 1083090813 /nfs/dbraw/zinc/09/08/13/1083090813.db2.gz FPNJQIQONLTYKN-HNNXBMFYSA-N 0 1 369.328 4.241 20 30 FIEDMN CN(C)[C@@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccs1 ZINC000430936057 1083242290 /nfs/dbraw/zinc/24/22/90/1083242290.db2.gz WQKLEBCJPFIWAL-ROUUACIJSA-N 0 1 370.522 4.085 20 30 FIEDMN COc1cccc(-c2nc(/C=C\C(=O)c3ccc(O)cc3O)cs2)c1 ZINC000255675776 1083373981 /nfs/dbraw/zinc/37/39/81/1083373981.db2.gz GVLMIUPVEKOYDW-YVMONPNESA-N 0 1 353.399 4.126 20 30 FIEDMN N#CC(C(=O)c1ccc2c(c1)CCCCC2=O)c1nc(C2CC2)cs1 ZINC000647379658 1083377323 /nfs/dbraw/zinc/37/73/23/1083377323.db2.gz BCCNPAGCIMURKU-MRXNPFEDSA-N 0 1 350.443 4.420 20 30 FIEDMN CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000247535656 1083455693 /nfs/dbraw/zinc/45/56/93/1083455693.db2.gz OQCJGGRKKLIZIA-QZTJIDSGSA-N 0 1 368.481 4.024 20 30 FIEDMN O=c1[nH]c2ccccc2cc1C=Nc1ccccc1CN1CCSCC1 ZINC000255828645 1083557295 /nfs/dbraw/zinc/55/72/95/1083557295.db2.gz WXOPXAXVFCUAPA-UHFFFAOYSA-N 0 1 363.486 4.240 20 30 FIEDMN C=CCOc1c(Cl)cc(CN2CCC([C@H]3CCOC3)CC2)cc1OC ZINC000628237396 1083598384 /nfs/dbraw/zinc/59/83/84/1083598384.db2.gz MALZQRPSSFFDJA-KRWDZBQOSA-N 0 1 365.901 4.162 20 30 FIEDMN COc1ccc(C#N)cc1CN[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179687681 1083598486 /nfs/dbraw/zinc/59/84/86/1083598486.db2.gz CHRGAZKDNRNTHI-KRWDZBQOSA-N 0 1 373.456 4.392 20 30 FIEDMN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1CCC(=O)Nc1sccc1C#N ZINC000535792211 1083665646 /nfs/dbraw/zinc/66/56/46/1083665646.db2.gz OTRSSVZWTSEZJS-QWHCGFSZSA-N 0 1 357.454 4.095 20 30 FIEDMN N#Cc1ccc(CN[C@@H]2CCc3c2cc(Br)cc3F)c(F)c1 ZINC000610812592 1083724265 /nfs/dbraw/zinc/72/42/65/1083724265.db2.gz MATTYKNFHLENSL-QGZVFWFLSA-N 0 1 363.205 4.376 20 30 FIEDMN N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000511349247 1083769103 /nfs/dbraw/zinc/76/91/03/1083769103.db2.gz DDSNTAJHRNXLOK-UHFFFAOYSA-N 0 1 368.396 4.266 20 30 FIEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)CC(C)(C)CC(F)(F)F ZINC000892497894 1083823145 /nfs/dbraw/zinc/82/31/45/1083823145.db2.gz ZVIMWKOPRNADCH-LBPRGKRZSA-N 0 1 370.371 4.101 20 30 FIEDMN CC(F)(F)c1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000188560194 1083823566 /nfs/dbraw/zinc/82/35/66/1083823566.db2.gz YBKUSLQVMPOAHK-UHFFFAOYSA-N 0 1 356.781 4.124 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)CC(F)F)cc1Cl ZINC000892498681 1083838477 /nfs/dbraw/zinc/83/84/77/1083838477.db2.gz LYKLYOFFVPDBDH-LLVKDONJSA-N 0 1 372.799 4.067 20 30 FIEDMN C=CCOc1c(Cl)cc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1OC ZINC000628265756 1083847654 /nfs/dbraw/zinc/84/76/54/1083847654.db2.gz PLNDUGVJUJYBAK-SJORKVTESA-N 0 1 351.874 4.057 20 30 FIEDMN C[C@H](NCC(=O)N[C@H](c1ccccc1)C1CCCC1)c1ccc(C#N)cc1 ZINC000548936651 1083860474 /nfs/dbraw/zinc/86/04/74/1083860474.db2.gz WRJZYHLLLOQPNX-GAJHUEQPSA-N 0 1 361.489 4.257 20 30 FIEDMN COc1ccc(-c2nc(C)c([C@@H](C)NCc3ccnc(C#N)c3)s2)cc1 ZINC000612518453 1083880563 /nfs/dbraw/zinc/88/05/63/1083880563.db2.gz MQPOGKKMVZUKKY-CYBMUJFWSA-N 0 1 364.474 4.245 20 30 FIEDMN COc1sc(CN[C@@H](C)c2cccc(C#N)c2)cc1Br ZINC000610958724 1083882667 /nfs/dbraw/zinc/88/26/67/1083882667.db2.gz HFASMRCKXSLWQP-JTQLQIEISA-N 0 1 351.269 4.242 20 30 FIEDMN N#CCCCOc1cccc(CNCc2ccccc2Br)c1 ZINC000236573994 1083946693 /nfs/dbraw/zinc/94/66/93/1083946693.db2.gz ZHDLHUSERHSRIQ-UHFFFAOYSA-N 0 1 359.267 4.421 20 30 FIEDMN CCN(Cc1ccccc1)C(=O)C/N=C\c1cc(Cl)cc(Cl)c1O ZINC000255869747 1084012721 /nfs/dbraw/zinc/01/27/21/1084012721.db2.gz HEJFIPXALHIFCR-FBHDLOMBSA-N 0 1 365.260 4.167 20 30 FIEDMN CC(N=Nc1ccc(Br)cc1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000728432689 1084087220 /nfs/dbraw/zinc/08/72/20/1084087220.db2.gz WMYLOOAOZFRLMD-UHFFFAOYSA-N 0 1 363.190 4.006 20 30 FIEDMN Cc1c2ccccc2oc1[C@@H](NCc1cnc2c(C#N)cnn2c1)C(C)C ZINC000563154625 1084113752 /nfs/dbraw/zinc/11/37/52/1084113752.db2.gz RPTXNLOOGQDHSA-IBGZPJMESA-N 0 1 359.433 4.143 20 30 FIEDMN CCOc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)cc(Cl)c1OC ZINC000728438172 1084143884 /nfs/dbraw/zinc/14/38/84/1084143884.db2.gz BLPLCUWXQRLFAY-XQRVVYSFSA-N 0 1 350.773 4.488 20 30 FIEDMN N#Cc1ccc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000580265925 1084401527 /nfs/dbraw/zinc/40/15/27/1084401527.db2.gz QIOZNGTZIIGRSG-INIZCTEOSA-N 0 1 367.796 4.338 20 30 FIEDMN C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cc(F)c(Cl)cc1Cl ZINC000177986885 1084530845 /nfs/dbraw/zinc/53/08/45/1084530845.db2.gz QSEHEGSBKJKJEX-DYZYQPBXSA-N 0 1 353.224 4.388 20 30 FIEDMN N#CC(C(=O)C[C@H]1CCC2(CCC2)CO1)c1nc2ccccc2n1C(F)F ZINC000892537544 1084542724 /nfs/dbraw/zinc/54/27/24/1084542724.db2.gz DYVTYJQHPHAECP-KGLIPLIRSA-N 0 1 373.403 4.347 20 30 FIEDMN C[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)N(CCC#N)c1ccccc1 ZINC000173266753 1084596215 /nfs/dbraw/zinc/59/62/15/1084596215.db2.gz LFTCGIYHIKTQHJ-IAGOWNOFSA-N 0 1 361.445 4.419 20 30 FIEDMN N#CC(C(=O)C[C@@H]1CCC2(CCC2)O1)c1nc2ccccc2n1C(F)F ZINC000892539114 1084617552 /nfs/dbraw/zinc/61/75/52/1084617552.db2.gz UDRVOBQYZNPSTR-STQMWFEESA-N 0 1 359.376 4.099 20 30 FIEDMN N#CC(C(=O)CC1CCSCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000134976635 1084694611 /nfs/dbraw/zinc/69/46/11/1084694611.db2.gz BIZQEKDFYLJHRT-CQSZACIVSA-N 0 1 371.289 4.174 20 30 FIEDMN COc1cc(OC)cc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000119972961 1084751285 /nfs/dbraw/zinc/75/12/85/1084751285.db2.gz NZBXFSMYRWDNQW-CQSZACIVSA-N 0 1 372.833 4.457 20 30 FIEDMN N#CC(C(=O)CCCc1ccc(C2CC2)cc1)c1nnc2n1CCCCC2 ZINC000892550228 1084778602 /nfs/dbraw/zinc/77/86/02/1084778602.db2.gz CMEPHVYMLMOCAW-LJQANCHMSA-N 0 1 362.477 4.081 20 30 FIEDMN COc1cccc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c1OC ZINC000120006457 1084791378 /nfs/dbraw/zinc/79/13/78/1084791378.db2.gz XPOMFURDBDQXKJ-LBPRGKRZSA-N 0 1 372.833 4.457 20 30 FIEDMN COc1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1OC ZINC000120006457 1084791382 /nfs/dbraw/zinc/79/13/82/1084791382.db2.gz XPOMFURDBDQXKJ-LBPRGKRZSA-N 0 1 372.833 4.457 20 30 FIEDMN CSc1ccc(F)cc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478358194 1084943804 /nfs/dbraw/zinc/94/38/04/1084943804.db2.gz SQPXZPJNZLOMRM-UHFFFAOYSA-N 0 1 366.465 4.110 20 30 FIEDMN N#Cc1ccsc1NC(=O)CCN1CC=C(c2ccccc2Cl)CC1 ZINC000091840883 1084953988 /nfs/dbraw/zinc/95/39/88/1084953988.db2.gz XNWMEIDHHOVXMR-UHFFFAOYSA-N 0 1 371.893 4.391 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H]2CCc3ccccc32)c1C ZINC000051650423 1084954940 /nfs/dbraw/zinc/95/49/40/1084954940.db2.gz YKBAMFVKXIYJMP-QFIPXVFZSA-N 0 1 361.489 4.169 20 30 FIEDMN CC(C)CN1Cc2cccc(NC(=O)CSc3ccc(C#N)cc3)c2C1 ZINC000158368369 1085052381 /nfs/dbraw/zinc/05/23/81/1085052381.db2.gz PHSWQTHGBZZOEX-UHFFFAOYSA-N 0 1 365.502 4.261 20 30 FIEDMN C[C@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[C@@H]1c1ccccc1 ZINC000075768402 1085545397 /nfs/dbraw/zinc/54/53/97/1085545397.db2.gz SFABBKDSRGIVMC-JXFKEZNVSA-N 0 1 358.445 4.234 20 30 FIEDMN C#CC[C@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000843672732 1085677456 /nfs/dbraw/zinc/67/74/56/1085677456.db2.gz RKCRCEQFHXNVMO-FQEVSTJZSA-N 0 1 360.501 4.194 20 30 FIEDMN C#CC[C@H]1CCCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000843672732 1085677464 /nfs/dbraw/zinc/67/74/64/1085677464.db2.gz RKCRCEQFHXNVMO-FQEVSTJZSA-N 0 1 360.501 4.194 20 30 FIEDMN N#CC[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000597174244 1085851662 /nfs/dbraw/zinc/85/16/62/1085851662.db2.gz OKQOLKYDBDWEIK-HXUWFJFHSA-N 0 1 371.488 4.119 20 30 FIEDMN N#CC[C@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000597174244 1085851672 /nfs/dbraw/zinc/85/16/72/1085851672.db2.gz OKQOLKYDBDWEIK-HXUWFJFHSA-N 0 1 371.488 4.119 20 30 FIEDMN N#Cc1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)c(OC(F)F)c1 ZINC000583042309 1086068484 /nfs/dbraw/zinc/06/84/84/1086068484.db2.gz VTDCLBOCKUDXON-INIZCTEOSA-N 0 1 366.795 4.026 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000662082948 1086115701 /nfs/dbraw/zinc/11/57/01/1086115701.db2.gz YPTPFBRESWONKF-UEXGIBASSA-N 0 1 352.503 4.137 20 30 FIEDMN C=C(CCc1nc(-c2cccc(N3CCN(C)CC3)c2)no1)c1ccccc1 ZINC001211694314 1086495963 /nfs/dbraw/zinc/49/59/63/1086495963.db2.gz KEHKQLLQKXIYEY-UHFFFAOYSA-N 0 1 374.488 4.134 20 30 FIEDMN CC(C)[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1F ZINC000585767319 1086693054 /nfs/dbraw/zinc/69/30/54/1086693054.db2.gz MMMZOMFUBKJCGM-LJQANCHMSA-N 0 1 356.832 4.485 20 30 FIEDMN N#CC1(c2ccccn2)CCN(CCOc2cccc3ccccc32)CC1 ZINC000548798713 1086742117 /nfs/dbraw/zinc/74/21/17/1086742117.db2.gz QNCFOEZCKJHLQE-UHFFFAOYSA-N 0 1 357.457 4.171 20 30 FIEDMN COCc1cccc2sc(NCc3ccc(F)c(C#N)c3Cl)nc21 ZINC000432427332 1086755682 /nfs/dbraw/zinc/75/56/82/1086755682.db2.gz YHKFVJTXHGLRSC-UHFFFAOYSA-N 0 1 361.829 4.141 20 30 FIEDMN CC(C)(C#N)CNC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000458654350 1086938453 /nfs/dbraw/zinc/93/84/53/1086938453.db2.gz OPXQEUSPQGSJRH-HNNXBMFYSA-N 0 1 359.861 4.003 20 30 FIEDMN N#CCC[C@H](C#N)CNC(Cc1ccccc1F)Cc1ccccc1F ZINC000583867015 1087003302 /nfs/dbraw/zinc/00/33/02/1087003302.db2.gz PENZCDGSKTVFPJ-MRXNPFEDSA-N 0 1 353.416 4.152 20 30 FIEDMN N#CC(C(=O)C=Cc1ccc2ccccc2n1)c1cnc2ccccc2n1 ZINC000588587831 1087180938 /nfs/dbraw/zinc/18/09/38/1087180938.db2.gz SKFHMPUWVYNWQF-CPFIRTDXSA-N 0 1 350.381 4.068 20 30 FIEDMN N#C[C@H](C(=O)C=Cc1ccc2ccccc2n1)c1cnc2ccccc2n1 ZINC000588587831 1087180942 /nfs/dbraw/zinc/18/09/42/1087180942.db2.gz SKFHMPUWVYNWQF-CPFIRTDXSA-N 0 1 350.381 4.068 20 30 FIEDMN N#CC(=C(O)C=Cc1ccc2ccccc2n1)c1cnc2ccccc2n1 ZINC000588587831 1087180945 /nfs/dbraw/zinc/18/09/45/1087180945.db2.gz SKFHMPUWVYNWQF-CPFIRTDXSA-N 0 1 350.381 4.068 20 30 FIEDMN COc1ccc(C[C@@H](NC[C@@H](C#N)CCC#N)c2ccccc2)cc1OC ZINC000584167672 1087198509 /nfs/dbraw/zinc/19/85/09/1087198509.db2.gz CJQAZTNQHZBXRF-UYAOXDASSA-N 0 1 363.461 4.021 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)COc3cc(C)c(Cl)c(C)c3)[nH]c21 ZINC000780382052 1087276400 /nfs/dbraw/zinc/27/64/00/1087276400.db2.gz SRIMBUWJQSLYIR-HNNXBMFYSA-N 0 1 367.836 4.397 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N(C)Cc2cccc3ccccc32)c(C#N)c1C ZINC000053017269 1087315285 /nfs/dbraw/zinc/31/52/85/1087315285.db2.gz SAJRMUHHJUUBID-HNNXBMFYSA-N 0 1 361.445 4.380 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@@H](C)c3ccc(C#N)cc3)[nH]c2c1 ZINC000141291159 1087482373 /nfs/dbraw/zinc/48/23/73/1087482373.db2.gz DBJWVGKKQZADAM-YWZLYKJASA-N 0 1 373.460 4.351 20 30 FIEDMN C=CCCc1ccccc1NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000505006030 1088044616 /nfs/dbraw/zinc/04/46/16/1088044616.db2.gz QACYZYQWHGNODT-UHFFFAOYSA-N 0 1 355.457 4.198 20 30 FIEDMN C=CCCc1ccccc1NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000505029423 1088069937 /nfs/dbraw/zinc/06/99/37/1088069937.db2.gz NBXOKRANOLYGOV-LJQANCHMSA-N 0 1 353.466 4.357 20 30 FIEDMN C=CCC1(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)CCOCC1 ZINC000424604714 1088087752 /nfs/dbraw/zinc/08/77/52/1088087752.db2.gz YUEPWSOPQGWYNE-UHFFFAOYSA-N 0 1 351.406 4.134 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c2ccccc2n1 ZINC000659115192 1088123822 /nfs/dbraw/zinc/12/38/22/1088123822.db2.gz QFSIZQJCKPUAJT-CQSZACIVSA-N 0 1 365.458 4.487 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](C)c2ccc(-c3ccncc3)cc2)c(C#N)c1C ZINC000180901066 1088151648 /nfs/dbraw/zinc/15/16/48/1088151648.db2.gz FIXYYSGCEWZPJR-OAHLLOKOSA-N 0 1 374.444 4.119 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccccc1C#N ZINC000181279650 1088295275 /nfs/dbraw/zinc/29/52/75/1088295275.db2.gz JWUDUKAHJZZGRL-DLBZAZTESA-N 0 1 370.456 4.298 20 30 FIEDMN CCn1nc(C)cc1C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000587988833 1088326927 /nfs/dbraw/zinc/32/69/27/1088326927.db2.gz VSSWSFAYVSWJJS-OAHLLOKOSA-N 0 1 350.447 4.133 20 30 FIEDMN C=CCOc1ccccc1C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC000425073188 1088536892 /nfs/dbraw/zinc/53/68/92/1088536892.db2.gz ANZJMESLYTZUQZ-UHFFFAOYSA-N 0 1 371.506 4.117 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1O ZINC000189978901 1088721203 /nfs/dbraw/zinc/72/12/03/1088721203.db2.gz SHAJZUHWKIDFMV-UHFFFAOYSA-N 0 1 361.426 4.203 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Nc3ccc(OC(F)(F)F)cc3)[nH]c21 ZINC000505437838 1088798964 /nfs/dbraw/zinc/79/89/64/1088798964.db2.gz IHZPFKGDNMAMKY-CYBMUJFWSA-N 0 1 374.322 4.016 20 30 FIEDMN N#Cc1ccccc1Sc1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000414624783 1088904822 /nfs/dbraw/zinc/90/48/22/1088904822.db2.gz HDCAQZOMQDTNBS-UHFFFAOYSA-N 0 1 362.458 4.487 20 30 FIEDMN COc1ccc([C@@H](Cc2ccc(F)cc2)NC[C@H](C#N)CCC#N)cc1 ZINC000564651983 1089069221 /nfs/dbraw/zinc/06/92/21/1089069221.db2.gz SIAHJHYSANUVCN-LAUBAEHRSA-N 0 1 351.425 4.151 20 30 FIEDMN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCc2ccccc21 ZINC000434841815 1089069818 /nfs/dbraw/zinc/06/98/18/1089069818.db2.gz ZWFNQSKFWIXGCV-LJQANCHMSA-N 0 1 351.450 4.106 20 30 FIEDMN C=CCC[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccccc1 ZINC000434990903 1089190962 /nfs/dbraw/zinc/19/09/62/1089190962.db2.gz JYBGBACYVGJDQS-OALUTQOASA-N 0 1 357.523 4.358 20 30 FIEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H](O)Cc1cccc(Cl)c1 ZINC000514683876 1089336450 /nfs/dbraw/zinc/33/64/50/1089336450.db2.gz KRQSUZZEWAPJBY-NJYVYQBISA-N 0 1 354.881 4.015 20 30 FIEDMN Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)c(C#N)c2)c(Cl)c1 ZINC000435143817 1089342772 /nfs/dbraw/zinc/34/27/72/1089342772.db2.gz WCQCTXSGACQDTD-UHFFFAOYSA-N 0 1 364.854 4.108 20 30 FIEDMN CCCCCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)ccc1OC ZINC000435338537 1089543976 /nfs/dbraw/zinc/54/39/76/1089543976.db2.gz GLLWTBGCCXPTMK-KAMYIIQDSA-N 0 1 367.449 4.088 20 30 FIEDMN COc1ccc(CNCc2sccc2NC(=O)OC(C)(C)C)cc1C#N ZINC000893194881 1090274706 /nfs/dbraw/zinc/27/47/06/1090274706.db2.gz NIAUBDURZKJPMA-UHFFFAOYSA-N 0 1 373.478 4.265 20 30 FIEDMN CCc1oc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C ZINC000162455969 1090959148 /nfs/dbraw/zinc/95/91/48/1090959148.db2.gz MSHTWBUHQALXIV-LLVKDONJSA-N 0 1 365.216 4.418 20 30 FIEDMN N#C[C@@H](C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 ZINC000644786665 1091005450 /nfs/dbraw/zinc/00/54/50/1091005450.db2.gz NMFQUHLXFSYKGS-VIFPVBQESA-N 0 1 353.300 4.272 20 30 FIEDMN N#CC(C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 ZINC000644786665 1091005455 /nfs/dbraw/zinc/00/54/55/1091005455.db2.gz NMFQUHLXFSYKGS-VIFPVBQESA-N 0 1 353.300 4.272 20 30 FIEDMN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(Br)c1 ZINC000418150033 1091083893 /nfs/dbraw/zinc/08/38/93/1091083893.db2.gz VQUGSGFNTDNWOZ-LJQANCHMSA-N 0 1 371.278 4.497 20 30 FIEDMN N#Cc1ccc(N2CCN(Cc3cccc(-c4cccnc4)c3)CC2)c(F)c1 ZINC000512237430 1091946438 /nfs/dbraw/zinc/94/64/38/1091946438.db2.gz QWYZODQTCUCQPM-UHFFFAOYSA-N 0 1 372.447 4.082 20 30 FIEDMN COC(=O)c1cc([C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)oc1C ZINC000432778218 1092327343 /nfs/dbraw/zinc/32/73/43/1092327343.db2.gz XYZDBQRXTWNGJO-AWEZNQCLSA-N 0 1 350.418 4.097 20 30 FIEDMN COC(=O)c1cc([C@H](C)N2CC=C(c3ccc(C#N)cc3)CC2)oc1C ZINC000432778218 1092327356 /nfs/dbraw/zinc/32/73/56/1092327356.db2.gz XYZDBQRXTWNGJO-AWEZNQCLSA-N 0 1 350.418 4.097 20 30 FIEDMN Cc1sc(Br)c(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c1C ZINC000441997184 1092366810 /nfs/dbraw/zinc/36/68/10/1092366810.db2.gz DTSQMFUIWFUYCS-JTQLQIEISA-N 0 1 374.263 4.494 20 30 FIEDMN Cc1sc(Br)c(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000441997184 1092366816 /nfs/dbraw/zinc/36/68/16/1092366816.db2.gz DTSQMFUIWFUYCS-JTQLQIEISA-N 0 1 374.263 4.494 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CNC(C)(C)c2ccc(F)cc2)c1 ZINC000728928725 1092615258 /nfs/dbraw/zinc/61/52/58/1092615258.db2.gz GADDAUOGOLDYIX-UHFFFAOYSA-N 0 1 367.468 4.214 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(Br)c3C)[nH]c21 ZINC000442730618 1092740351 /nfs/dbraw/zinc/74/03/51/1092740351.db2.gz OLSAINZTAUEICI-ZDUSSCGKSA-N 0 1 368.234 4.432 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1O ZINC000442855262 1092826097 /nfs/dbraw/zinc/82/60/97/1092826097.db2.gz XEMHYQBWNTZRKL-UHFFFAOYSA-N 0 1 370.714 4.111 20 30 FIEDMN C#Cc1ccc(NC(=O)CCN(C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC001167911754 1092867320 /nfs/dbraw/zinc/86/73/20/1092867320.db2.gz JWQVBJGJJBKBDO-OAHLLOKOSA-N 0 1 363.486 4.299 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1O ZINC000442969089 1092896557 /nfs/dbraw/zinc/89/65/57/1092896557.db2.gz TXGPEIWWEQPESY-UHFFFAOYSA-N 0 1 361.382 4.386 20 30 FIEDMN COc1ccc(CN[C@@H]2COc3c2ccc(C)c3C)cc1OCCCC#N ZINC000521828740 1092931686 /nfs/dbraw/zinc/93/16/86/1092931686.db2.gz WRWJWWZBAZJIJD-LJQANCHMSA-N 0 1 366.461 4.218 20 30 FIEDMN COc1ccc(Br)cc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000573648533 1092956952 /nfs/dbraw/zinc/95/69/52/1092956952.db2.gz ZHZPHDJZIYHXPZ-KRWDZBQOSA-N 0 1 357.251 4.106 20 30 FIEDMN C[C@@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(C#N)cc1F ZINC000512610495 1092985277 /nfs/dbraw/zinc/98/52/77/1092985277.db2.gz BSQWJECJLFDMFH-OAHLLOKOSA-N 0 1 374.419 4.195 20 30 FIEDMN C=CC1CCN(CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)CC1 ZINC000522080578 1093075261 /nfs/dbraw/zinc/07/52/61/1093075261.db2.gz QQPVVOGRUZGALI-NRFANRHFSA-N 0 1 354.519 4.160 20 30 FIEDMN CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512653555 1093079407 /nfs/dbraw/zinc/07/94/07/1093079407.db2.gz FXXOPCUYJXZLFT-HNNXBMFYSA-N 0 1 353.441 4.030 20 30 FIEDMN CC(C)(C#N)c1ccc(CN[C@H](CO)c2cccc(Br)c2)cc1 ZINC000614182562 1093081942 /nfs/dbraw/zinc/08/19/42/1093081942.db2.gz UUJSIRQMPUPDAB-GOSISDBHSA-N 0 1 373.294 4.073 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](c2ccccc2)C1 ZINC000433059573 1093179395 /nfs/dbraw/zinc/17/93/95/1093179395.db2.gz ULJXFVXNYDNXLG-TZIWHRDSSA-N 0 1 361.489 4.201 20 30 FIEDMN C[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1cccc(C#N)c1 ZINC000025215645 1093185991 /nfs/dbraw/zinc/18/59/91/1093185991.db2.gz DGYZWCNBZHOWLD-YVEFUNNKSA-N 0 1 371.893 4.365 20 30 FIEDMN C=CCCCCNC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000474093221 1093257321 /nfs/dbraw/zinc/25/73/21/1093257321.db2.gz DOMGVAOBPKZBEI-KRWDZBQOSA-N 0 1 359.518 4.098 20 30 FIEDMN N#Cc1cc(CN[C@H](c2cc(F)cc(Br)c2)C2CC2)ccn1 ZINC000614227603 1093258736 /nfs/dbraw/zinc/25/87/36/1093258736.db2.gz OQQZBYHRDKHDHV-KRWDZBQOSA-N 0 1 360.230 4.096 20 30 FIEDMN CN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CCCc2ccccc21 ZINC000008126334 1093279804 /nfs/dbraw/zinc/27/98/04/1093279804.db2.gz VYTINQYGXZMLQO-IBGZPJMESA-N 0 1 365.502 4.250 20 30 FIEDMN CN(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(C)(C)C#N ZINC000433307556 1093573383 /nfs/dbraw/zinc/57/33/83/1093573383.db2.gz VEIHJPDPOODWDL-UHFFFAOYSA-N 0 1 351.450 4.289 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C3CC3)cc2)c(C#N)c1C ZINC000419331907 1093660876 /nfs/dbraw/zinc/66/08/76/1093660876.db2.gz HJUZAXGVCZXCQJ-UONOGXRCSA-N 0 1 351.450 4.323 20 30 FIEDMN CCN(CC)C(=O)c1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000474440235 1093787073 /nfs/dbraw/zinc/78/70/73/1093787073.db2.gz XDSZLLFLSOLLGG-INIZCTEOSA-N 0 1 369.490 4.239 20 30 FIEDMN COc1cccc(CN(Cc2ccc(C#N)cc2C)C[C@@H]2CCCO2)c1 ZINC000614396672 1093813486 /nfs/dbraw/zinc/81/34/86/1093813486.db2.gz CNGYUDZJMVETGK-QFIPXVFZSA-N 0 1 350.462 4.057 20 30 FIEDMN COc1ccccc1CN(Cc1ccc(C#N)cc1C)C[C@H]1CCCO1 ZINC000614397709 1093814821 /nfs/dbraw/zinc/81/48/21/1093814821.db2.gz SSOAASIQVCSHAV-OAQYLSRUSA-N 0 1 350.462 4.057 20 30 FIEDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000513091225 1093828337 /nfs/dbraw/zinc/82/83/37/1093828337.db2.gz YTYRRNFMQVDHMY-HKKHYUGTSA-N 0 1 367.537 4.242 20 30 FIEDMN C[C@H]1C[C@@H](c2ccccc2)N(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000513247621 1094027941 /nfs/dbraw/zinc/02/79/41/1094027941.db2.gz SZSOTMLMUCJOSM-LPHOPBHVSA-N 0 1 365.502 4.324 20 30 FIEDMN CCN(CC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000513391550 1094093798 /nfs/dbraw/zinc/09/37/98/1094093798.db2.gz DDJZFPZZWZKPEO-MRXNPFEDSA-N 0 1 361.445 4.004 20 30 FIEDMN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)s1 ZINC000182732703 1094163110 /nfs/dbraw/zinc/16/31/10/1094163110.db2.gz RJKYFJCEMUZMPF-IUODEOHRSA-N 0 1 359.882 4.119 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c(Cl)c1 ZINC000183082695 1094279218 /nfs/dbraw/zinc/27/92/18/1094279218.db2.gz SEWCCGOZLKGIED-UHFFFAOYSA-N 0 1 373.821 4.031 20 30 FIEDMN N#C[C@@H](C(=O)c1csc(-c2cccs2)n1)c1nc2ccccc2[nH]1 ZINC000041495895 1094619782 /nfs/dbraw/zinc/61/97/82/1094619782.db2.gz FBRYLPVATJUYMZ-JTQLQIEISA-N 0 1 350.428 4.238 20 30 FIEDMN N#CC(C(=O)c1csc(-c2cccs2)n1)c1nc2ccccc2[nH]1 ZINC000041495895 1094619792 /nfs/dbraw/zinc/61/97/92/1094619792.db2.gz FBRYLPVATJUYMZ-JTQLQIEISA-N 0 1 350.428 4.238 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2ccccc2NC(=O)c2cccs2)n1 ZINC000041516520 1094643038 /nfs/dbraw/zinc/64/30/38/1094643038.db2.gz CAIRICWKLGGHTC-CYBMUJFWSA-N 0 1 367.455 4.255 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2NC(=O)c2cccs2)n1 ZINC000041516520 1094643049 /nfs/dbraw/zinc/64/30/49/1094643049.db2.gz CAIRICWKLGGHTC-CYBMUJFWSA-N 0 1 367.455 4.255 20 30 FIEDMN COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1OCC(C)C ZINC000041546609 1094648833 /nfs/dbraw/zinc/64/88/33/1094648833.db2.gz GEDUCTZXYVHVDZ-OAHLLOKOSA-N 0 1 364.401 4.361 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc3ccccc3o2)ccc1OCC(C)C ZINC000041546609 1094648846 /nfs/dbraw/zinc/64/88/46/1094648846.db2.gz GEDUCTZXYVHVDZ-OAHLLOKOSA-N 0 1 364.401 4.361 20 30 FIEDMN N#Cc1cc(CN[C@H]2CCOc3c(Br)cccc32)ccc1F ZINC000501507563 1094746568 /nfs/dbraw/zinc/74/65/68/1094746568.db2.gz VEDYTAZGJAAVER-INIZCTEOSA-N 0 1 361.214 4.073 20 30 FIEDMN C[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC12CCC2 ZINC000329139091 1094754134 /nfs/dbraw/zinc/75/41/34/1094754134.db2.gz IUMQVBISIODIAX-AWEZNQCLSA-N 0 1 373.888 4.021 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1 ZINC000501531039 1094756371 /nfs/dbraw/zinc/75/63/71/1094756371.db2.gz KGMJEGITNIISQY-MRXNPFEDSA-N 0 1 369.534 4.065 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)n1 ZINC000182557833 1094788181 /nfs/dbraw/zinc/78/81/81/1094788181.db2.gz ZNDYNYNMIYIIGC-CYBMUJFWSA-N 0 1 366.446 4.479 20 30 FIEDMN CC1(C)CC[C@@H]2C[C@H]([NH+]=C([O-])N[C@H]3CCc4c[nH]nc4C3)c3cccc1c32 ZINC000329241569 1094794938 /nfs/dbraw/zinc/79/49/38/1094794938.db2.gz RTXGOLDBUMQKDS-WTANOLMUSA-N 0 1 364.493 4.071 20 30 FIEDMN CC1(C)CC[C@@H]2C[C@H](NC([O-])=[NH+][C@H]3CCc4c[nH]nc4C3)c3cccc1c32 ZINC000329241569 1094794951 /nfs/dbraw/zinc/79/49/51/1094794951.db2.gz RTXGOLDBUMQKDS-WTANOLMUSA-N 0 1 364.493 4.071 20 30 FIEDMN CC1(C)CC[C@H](NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)C1 ZINC000329277850 1094812477 /nfs/dbraw/zinc/81/24/77/1094812477.db2.gz COWUWALFIDREPN-STQMWFEESA-N 0 1 358.408 4.032 20 30 FIEDMN CC(C)(C)c1ccc2c(c1)CN(C([O-])=[NH+]C[C@@H]1CCCn3ccnc31)CC2 ZINC000329341112 1094852604 /nfs/dbraw/zinc/85/26/04/1094852604.db2.gz OTNASJMBKYEXCZ-KRWDZBQOSA-N 0 1 366.509 4.030 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cnc(C4CC4)nc3)n2)cc1 ZINC000520344300 1094854387 /nfs/dbraw/zinc/85/43/87/1094854387.db2.gz GTFLJCKFRSBAQH-INIZCTEOSA-N 0 1 360.442 4.276 20 30 FIEDMN COc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1OC1CCCC1 ZINC000329553507 1094971026 /nfs/dbraw/zinc/97/10/26/1094971026.db2.gz KDFSRCUKDFFPAO-MRXNPFEDSA-N 0 1 355.438 4.122 20 30 FIEDMN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000329589140 1094985672 /nfs/dbraw/zinc/98/56/72/1094985672.db2.gz ZFUOWLLBUWRXBD-WBAXXEDZSA-N 0 1 368.481 4.183 20 30 FIEDMN COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)on1 ZINC000183367519 1095015660 /nfs/dbraw/zinc/01/56/60/1095015660.db2.gz FVBFFRPGYKQODJ-SNVBAGLBSA-N 0 1 359.451 4.020 20 30 FIEDMN O=C(Nc1cccc(Cl)c1O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329734951 1095241085 /nfs/dbraw/zinc/24/10/85/1095241085.db2.gz KPJCGOMTXPLWOL-RCBQFDQVSA-N 0 1 372.856 4.261 20 30 FIEDMN Cc1ccc(NC(=O)CN2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)cc1F ZINC000329772362 1095260037 /nfs/dbraw/zinc/26/00/37/1095260037.db2.gz HJJLPBHSYQPZMS-MRXNPFEDSA-N 0 1 359.449 4.191 20 30 FIEDMN CC(C)c1nc([C@@H]2CCCCN2CC(=O)N[C@@H](C)c2cccs2)n[nH]1 ZINC000329859912 1095295670 /nfs/dbraw/zinc/29/56/70/1095295670.db2.gz XAHORYGDNPCXOG-KBPBESRZSA-N 0 1 361.515 4.234 20 30 FIEDMN CC1(CCNC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)CC1 ZINC000329993346 1095342302 /nfs/dbraw/zinc/34/23/02/1095342302.db2.gz YIJOEYJQCGILQT-MRXNPFEDSA-N 0 1 359.518 4.136 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+]C[C@H]2CC=CCC2)CC1 ZINC000330002468 1095345694 /nfs/dbraw/zinc/34/56/94/1095345694.db2.gz YUWADHBXAQXGES-KRWDZBQOSA-N 0 1 352.482 4.252 20 30 FIEDMN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000330101567 1095380996 /nfs/dbraw/zinc/38/09/96/1095380996.db2.gz ICWIPAVZRGROIH-NVXWUHKLSA-N 0 1 372.538 4.306 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N(C1CC1)C1CCC(C)CC1)CC2 ZINC000330114057 1095384524 /nfs/dbraw/zinc/38/45/24/1095384524.db2.gz SPEGPDUJFMOMEP-IIIMJFFVSA-N 0 1 358.530 4.278 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)CC2 ZINC000330117742 1095386618 /nfs/dbraw/zinc/38/66/18/1095386618.db2.gz XKURTROZESDZIC-MOPGFXCFSA-N 0 1 370.472 4.212 20 30 FIEDMN CC(C)C[C@H](C)n1nccc1[NH+]=C([O-])N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000330129463 1095387572 /nfs/dbraw/zinc/38/75/72/1095387572.db2.gz OIKAJELTAKQUDZ-RDJZCZTQSA-N 0 1 372.517 4.151 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000330188090 1095408996 /nfs/dbraw/zinc/40/89/96/1095408996.db2.gz UGOLRBOXRMXVHL-MTQWCTHYSA-N 0 1 364.493 4.359 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCC[C@@H](c2ccccc2)C1)N1CCC(n2ccnc2)CC1 ZINC000330187785 1095409872 /nfs/dbraw/zinc/40/98/72/1095409872.db2.gz UBCDVGCWDRVIEO-RTBURBONSA-N 0 1 352.482 4.160 20 30 FIEDMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)NC1CCCCCC1 ZINC000330222548 1095422117 /nfs/dbraw/zinc/42/21/17/1095422117.db2.gz RXKDFTUHJURQGF-IEBWSBKVSA-N 0 1 352.425 4.064 20 30 FIEDMN NC(=O)C1CCC(NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000330221213 1095423224 /nfs/dbraw/zinc/42/32/24/1095423224.db2.gz LMDDOLBYYKDNKE-UHFFFAOYSA-N 0 1 352.847 4.190 20 30 FIEDMN O=C(N[C@H]1CCOC2(CCC2)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000330255782 1095437968 /nfs/dbraw/zinc/43/79/68/1095437968.db2.gz PUXPJPFEMMDVSN-JTQLQIEISA-N 0 1 351.859 4.198 20 30 FIEDMN O=C(N[C@@H]1CCn2ccnc2C1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000330278643 1095446137 /nfs/dbraw/zinc/44/61/37/1095446137.db2.gz PXCPWDRQTLWWPU-MSOLQXFVSA-N 0 1 372.900 4.383 20 30 FIEDMN CCOc1cc(CNCc2ccc(C#N)s2)ccc1OCC(F)(F)F ZINC000421351385 1095543718 /nfs/dbraw/zinc/54/37/18/1095543718.db2.gz MHYKODOFMQHXQL-UHFFFAOYSA-N 0 1 370.396 4.249 20 30 FIEDMN N#Cc1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)o1 ZINC000366961577 1095670137 /nfs/dbraw/zinc/67/01/37/1095670137.db2.gz JZYBNPWPRONVKI-SFHVURJKSA-N 0 1 364.367 4.428 20 30 FIEDMN CCCN(Cc1cc(F)ccc1C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502954706 1095978813 /nfs/dbraw/zinc/97/88/13/1095978813.db2.gz GRGPKEBPSPCJRV-INIZCTEOSA-N 0 1 353.441 4.327 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CCCCC(=O)c3ccccc3)[nH]c21 ZINC000783386435 1096338564 /nfs/dbraw/zinc/33/85/64/1096338564.db2.gz QZQYLHLXVTTZKL-KRWDZBQOSA-N 0 1 359.429 4.491 20 30 FIEDMN CC(C)CCO[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000436266802 1098863436 /nfs/dbraw/zinc/86/34/36/1098863436.db2.gz PELABUBDSVMKML-RTBURBONSA-N 0 1 368.481 4.072 20 30 FIEDMN Cc1ccccc1[C@@H](CC(F)(F)F)NCc1cnc2ccc(C#N)cn12 ZINC000515816254 1098957632 /nfs/dbraw/zinc/95/76/32/1098957632.db2.gz PGYMHQDHBYMIOR-QGZVFWFLSA-N 0 1 358.367 4.298 20 30 FIEDMN N#Cc1ccc(CN2CC[C@@H](COc3ccccc3)C2)c(Br)c1 ZINC000505812709 1099007342 /nfs/dbraw/zinc/00/73/42/1099007342.db2.gz PGHJHVVYPSTFMP-MRXNPFEDSA-N 0 1 371.278 4.222 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@@H](c2ccccc2C)C(C)C)c(C#N)c1C ZINC000436428949 1099009116 /nfs/dbraw/zinc/00/91/16/1099009116.db2.gz KSWQDIDSIYPHSN-HXUWFJFHSA-N 0 1 353.466 4.344 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425550636 1099019958 /nfs/dbraw/zinc/01/99/58/1099019958.db2.gz NJKMKQVIELRLID-WOJBJXKFSA-N 0 1 354.881 4.449 20 30 FIEDMN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C1CCC1 ZINC000533437056 1099057020 /nfs/dbraw/zinc/05/70/20/1099057020.db2.gz VFWGEFDXALYYPT-UHFFFAOYSA-N 0 1 356.514 4.295 20 30 FIEDMN CCCOc1ccc(O[C@H]2CCCC[C@H]2NCc2nc(C#N)cs2)cc1 ZINC000516119472 1099199376 /nfs/dbraw/zinc/19/93/76/1099199376.db2.gz MLDQVJJEZFBGHO-MOPGFXCFSA-N 0 1 371.506 4.283 20 30 FIEDMN CCOc1nc2cc(C(=O)C(C#N)c3nc4ccccc4s3)ccc2[nH]1 ZINC000436696960 1099229587 /nfs/dbraw/zinc/22/95/87/1099229587.db2.gz KDIUGSUXYVINQB-LBPRGKRZSA-N 0 1 362.414 4.061 20 30 FIEDMN C=C(C)[C@H](CC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)OCC ZINC000533704996 1099344445 /nfs/dbraw/zinc/34/44/45/1099344445.db2.gz YVIVZKWPVZWYMZ-IRXDYDNUSA-N 0 1 361.873 4.251 20 30 FIEDMN C=C(C)[C@@H](CC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)OCC ZINC000533704994 1099344491 /nfs/dbraw/zinc/34/44/91/1099344491.db2.gz YVIVZKWPVZWYMZ-DLBZAZTESA-N 0 1 361.873 4.251 20 30 FIEDMN CCC[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)c(Cl)c1 ZINC000516499419 1099544747 /nfs/dbraw/zinc/54/47/47/1099544747.db2.gz CBIURNNQDLBDEN-SJLPKXTDSA-N 0 1 370.324 4.479 20 30 FIEDMN CC(C)(C)N1CCc2nc(NC(=O)c3ccc(Cl)c(C#N)c3)sc2C1 ZINC000516863215 1099890764 /nfs/dbraw/zinc/89/07/64/1099890764.db2.gz YECRXCLERPIBTM-UHFFFAOYSA-N 0 1 374.897 4.077 20 30 FIEDMN C=C(C)[C@@H](CC(=O)Nc1cc(Cl)cc(Br)c1O)OCC ZINC000533782238 1099928424 /nfs/dbraw/zinc/92/84/24/1099928424.db2.gz GHPJFRRXWBWHMX-GFCCVEGCSA-N 0 1 362.651 4.118 20 30 FIEDMN C=CCCO[C@H](C)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000437513345 1099962782 /nfs/dbraw/zinc/96/27/82/1099962782.db2.gz GPRQYUUMMGJZJJ-OAHLLOKOSA-N 0 1 362.433 4.058 20 30 FIEDMN C=CCCO[C@H](C)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000437513345 1099962785 /nfs/dbraw/zinc/96/27/85/1099962785.db2.gz GPRQYUUMMGJZJJ-OAHLLOKOSA-N 0 1 362.433 4.058 20 30 FIEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455735953 1099994539 /nfs/dbraw/zinc/99/45/39/1099994539.db2.gz RCQRDYQNVAYBKR-UHFFFAOYSA-N 0 1 359.861 4.091 20 30 FIEDMN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCCCC1 ZINC000126556735 1100124952 /nfs/dbraw/zinc/12/49/52/1100124952.db2.gz UQOZMHIWEYTBEF-CQSZACIVSA-N 0 1 352.406 4.229 20 30 FIEDMN C=CCOc1ccc(CN(C)Cc2ccccc2N2CCCC2)cc1OC ZINC000506154424 1100274146 /nfs/dbraw/zinc/27/41/46/1100274146.db2.gz YYCCVYZAEOAUAX-UHFFFAOYSA-N 0 1 366.505 4.492 20 30 FIEDMN C=CCOc1ccc(CNCc2c(C)nc3scc(C4CC4)n23)cc1 ZINC000459546155 1100294560 /nfs/dbraw/zinc/29/45/60/1100294560.db2.gz RTXKLZJILWZBPB-UHFFFAOYSA-N 0 1 353.491 4.436 20 30 FIEDMN C=C(CC)CN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000536880376 1100405566 /nfs/dbraw/zinc/40/55/66/1100405566.db2.gz BOHVVLYFNSEACG-LJQANCHMSA-N 0 1 363.910 4.389 20 30 FIEDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)CCc3ccc(C#N)cc3)n2)cc1 ZINC000517668360 1100590432 /nfs/dbraw/zinc/59/04/32/1100590432.db2.gz OWYCSFHGWHRIOJ-UHFFFAOYSA-N 0 1 373.460 4.212 20 30 FIEDMN N#Cc1ccc(CN2CCCN(Cc3cccc(Cl)c3F)CC2)cc1 ZINC000506278262 1100747503 /nfs/dbraw/zinc/74/75/03/1100747503.db2.gz BXCOSVYWKVSNAT-UHFFFAOYSA-N 0 1 357.860 4.059 20 30 FIEDMN Cn1cc(-c2ccc(CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)s2)cn1 ZINC000518404179 1101159612 /nfs/dbraw/zinc/15/96/12/1101159612.db2.gz QMKGMGWCXOIHRZ-PMACEKPBSA-N 0 1 362.502 4.420 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2cc3cccc(F)c3o2)c(C#N)c1C ZINC000475708061 1101380604 /nfs/dbraw/zinc/38/06/04/1101380604.db2.gz VOUIQCRFNYHSSN-NWDGAFQWSA-N 0 1 369.396 4.331 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cc3cccc(F)c3o2)c(C#N)c1C ZINC000475708063 1101384627 /nfs/dbraw/zinc/38/46/27/1101384627.db2.gz VOUIQCRFNYHSSN-VXGBXAGGSA-N 0 1 369.396 4.331 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2cc3cccc(F)c3o2)c(C#N)c1C ZINC000475708062 1101385694 /nfs/dbraw/zinc/38/56/94/1101385694.db2.gz VOUIQCRFNYHSSN-RYUDHWBXSA-N 0 1 369.396 4.331 20 30 FIEDMN CC(C)(C)N1CC[C@@H](Nc2cc(C#N)ncn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518669196 1101401868 /nfs/dbraw/zinc/40/18/68/1101401868.db2.gz DYFLBIRIIZXIIY-AEFFLSMTSA-N 0 1 373.863 4.167 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccccc2)CC1 ZINC000537058020 1101411552 /nfs/dbraw/zinc/41/15/52/1101411552.db2.gz FMHGCXBEBYOBFM-MRXNPFEDSA-N 0 1 365.502 4.156 20 30 FIEDMN N#Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000439428186 1101446338 /nfs/dbraw/zinc/44/63/38/1101446338.db2.gz YHJYZKKYOPOBBL-UHFFFAOYSA-N 0 1 357.860 4.059 20 30 FIEDMN COCCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2Cl)cc1OC ZINC000439446715 1101449930 /nfs/dbraw/zinc/44/99/30/1101449930.db2.gz ZPOFQMRJICBTKS-CQSZACIVSA-N 0 1 374.868 4.096 20 30 FIEDMN COCCN(Cc1ccc(C#N)cc1)Cc1ccc2nc(C)sc2c1 ZINC000426400433 1101484653 /nfs/dbraw/zinc/48/46/53/1101484653.db2.gz INDBFOPDEZGYGK-UHFFFAOYSA-N 0 1 351.475 4.125 20 30 FIEDMN N#Cc1cccc(NC(=O)CNC2(c3cccc(C(F)(F)F)c3)CCC2)c1 ZINC000537158727 1101503786 /nfs/dbraw/zinc/50/37/86/1101503786.db2.gz NGLPUVYPBJSLLF-UHFFFAOYSA-N 0 1 373.378 4.185 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](C)c2ccccc2C(F)(F)F)c(C#N)c1C ZINC000537157904 1101504975 /nfs/dbraw/zinc/50/49/75/1101504975.db2.gz DAMVHYGFZUOIMX-LLVKDONJSA-N 0 1 365.355 4.076 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000475744632 1101569505 /nfs/dbraw/zinc/56/95/05/1101569505.db2.gz AFIYXQIMXAZICJ-LTIDMASMSA-N 0 1 359.539 4.386 20 30 FIEDMN CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)CCO2 ZINC000180542622 1101577719 /nfs/dbraw/zinc/57/77/19/1101577719.db2.gz NONBCDMBOHVTCY-YWZLYKJASA-N 0 1 352.434 4.162 20 30 FIEDMN N#CCC[C@H](NC(=O)c1ccc(Nc2ccncc2)cc1)c1ccccc1 ZINC000439664046 1101641947 /nfs/dbraw/zinc/64/19/47/1101641947.db2.gz FANMSQARECCZOI-NRFANRHFSA-N 0 1 356.429 4.022 20 30 FIEDMN C[C@@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(C#N)c(F)c1 ZINC000537406952 1101752797 /nfs/dbraw/zinc/75/27/97/1101752797.db2.gz LHTLQIFVHMGMGS-CQSZACIVSA-N 0 1 351.425 4.287 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000127519129 1101818681 /nfs/dbraw/zinc/81/86/81/1101818681.db2.gz LQVVXDANLLJIOW-STQMWFEESA-N 0 1 361.367 4.255 20 30 FIEDMN C=CCC[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1 ZINC000426617780 1102148707 /nfs/dbraw/zinc/14/87/07/1102148707.db2.gz BKKYYBNTDLJRGI-RTWAWAEBSA-N 0 1 354.469 4.295 20 30 FIEDMN N#Cc1cccc(NC(=O)CCSc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000026251261 1102306314 /nfs/dbraw/zinc/30/63/14/1102306314.db2.gz OJADJDBGPXRBJM-UHFFFAOYSA-N 0 1 356.838 4.209 20 30 FIEDMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2cc(F)ccc2C#N)n1 ZINC000130129493 1102377377 /nfs/dbraw/zinc/37/73/77/1102377377.db2.gz PTPSVHODEQKIGC-UHFFFAOYSA-N 0 1 374.828 4.437 20 30 FIEDMN CC[C@@H](NCc1ccc(OC)c(OCCCC#N)c1)c1c(C)noc1C ZINC000121333953 1102384654 /nfs/dbraw/zinc/38/46/54/1102384654.db2.gz UZJJVLJEBWNBMT-QGZVFWFLSA-N 0 1 357.454 4.224 20 30 FIEDMN N#C[C@@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 ZINC000123107530 1102779333 /nfs/dbraw/zinc/77/93/33/1102779333.db2.gz CIXABDPKSKCSEA-ZDUSSCGKSA-N 0 1 362.389 4.316 20 30 FIEDMN N#CC(C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 ZINC000123107530 1102779345 /nfs/dbraw/zinc/77/93/45/1102779345.db2.gz CIXABDPKSKCSEA-ZDUSSCGKSA-N 0 1 362.389 4.316 20 30 FIEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2sc3ccc(C#N)cc3c2C)n[nH]1 ZINC000506859582 1102896911 /nfs/dbraw/zinc/89/69/11/1102896911.db2.gz FRGJYNAGSBDODN-JQWIXIFHSA-N 0 1 367.478 4.204 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000426815507 1103009783 /nfs/dbraw/zinc/00/97/83/1103009783.db2.gz FWDXWDJFXOLABO-YESZJQIVSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@@H](NCc1c(F)cccc1N1CCCC1)c1ccc(OCC#N)cc1 ZINC000729686055 1103108610 /nfs/dbraw/zinc/10/86/10/1103108610.db2.gz URDDCPBBOSJBKP-MRXNPFEDSA-N 0 1 353.441 4.179 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cc(C)cc(OC)c2)no1 ZINC001211975366 1103132428 /nfs/dbraw/zinc/13/24/28/1103132428.db2.gz FJASXTCAVBBVKC-MJGOQNOKSA-N 0 1 373.497 4.132 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC)cc2C)no1 ZINC001211976129 1103149331 /nfs/dbraw/zinc/14/93/31/1103149331.db2.gz ZWLOWWLTUDFEIW-APWZRJJASA-N 0 1 373.497 4.132 20 30 FIEDMN N#Cc1ccc(NC(=O)CCN2CCCC[C@H]2c2nc3ccccc3o2)cc1 ZINC000532744612 1103157820 /nfs/dbraw/zinc/15/78/20/1103157820.db2.gz UBIOILKHJNZJNU-IBGZPJMESA-N 0 1 374.444 4.255 20 30 FIEDMN CC[C@](C)(C#N)C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000507672234 1103593355 /nfs/dbraw/zinc/59/33/55/1103593355.db2.gz JLKACCGRTWGHAN-LJQANCHMSA-N 0 1 354.360 4.386 20 30 FIEDMN N#CC(C(=O)c1cccc(-c2nc[nH]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000551773607 1103613349 /nfs/dbraw/zinc/61/33/49/1103613349.db2.gz KOFHBNHUTVVVQK-MRXNPFEDSA-N 0 1 371.425 4.085 20 30 FIEDMN CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC(C)(C#N)CC1 ZINC000507707479 1103641335 /nfs/dbraw/zinc/64/13/35/1103641335.db2.gz JRUMGAGMTPQNGM-UHFFFAOYSA-N 0 1 350.510 4.355 20 30 FIEDMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC(C)(C#N)CC1 ZINC000507710657 1103647580 /nfs/dbraw/zinc/64/75/80/1103647580.db2.gz VCVZOQWXBGZOCF-UHFFFAOYSA-N 0 1 356.901 4.327 20 30 FIEDMN CC[C@H]1Oc2cc([C@@H](C)NCC#Cc3ccccc3Cl)ccc2NC1=O ZINC000538256528 1104081135 /nfs/dbraw/zinc/08/11/35/1104081135.db2.gz MRRLXYKIXLLLDI-AUUYWEPGSA-N 0 1 368.864 4.152 20 30 FIEDMN CC(C)CN(CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc(C#N)cc1 ZINC000520173216 1104142848 /nfs/dbraw/zinc/14/28/48/1104142848.db2.gz WAHGZCUUUIXYGQ-YADHBBJMSA-N 0 1 367.537 4.197 20 30 FIEDMN N#Cc1cccc(-c2nnc(CN3CCC[C@@H](Cc4ccccc4)C3)o2)c1 ZINC000441314073 1104271718 /nfs/dbraw/zinc/27/17/18/1104271718.db2.gz HQHUGIZUYWJTIC-IBGZPJMESA-N 0 1 358.445 4.063 20 30 FIEDMN C[C@H](C(=O)NC1CCCCC1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000328652837 1104524085 /nfs/dbraw/zinc/52/40/85/1104524085.db2.gz KRTOTAGBHRBTJV-IAGOWNOFSA-N 0 1 358.530 4.077 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)C2)n[nH]1 ZINC000328762832 1104552627 /nfs/dbraw/zinc/55/26/27/1104552627.db2.gz ZAADLDTWZHTHLZ-XLIONFOSSA-N 0 1 370.472 4.492 20 30 FIEDMN [O-]C(=[NH+]C[C@@H]1CCCn2ccnc21)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000328731115 1104558195 /nfs/dbraw/zinc/55/81/95/1104558195.db2.gz IJXJEIKVDRDTKA-HAGHYFMRSA-N 0 1 364.493 4.085 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)CC1CCCCC1 ZINC000170983905 1105016600 /nfs/dbraw/zinc/01/66/00/1105016600.db2.gz UHBDAPFBWMGVEX-INIZCTEOSA-N 0 1 359.539 4.389 20 30 FIEDMN COc1ccccc1CN(CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000507787635 1105048209 /nfs/dbraw/zinc/04/82/09/1105048209.db2.gz SQOZOBSUSSKTLK-UHFFFAOYSA-N 0 1 372.468 4.228 20 30 FIEDMN Cc1cc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1Cl ZINC000507814957 1105195224 /nfs/dbraw/zinc/19/52/24/1105195224.db2.gz NKUMCWXCYAMOSH-UHFFFAOYSA-N 0 1 367.880 4.371 20 30 FIEDMN N#Cc1ccc(OC2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc1 ZINC000507873094 1105250994 /nfs/dbraw/zinc/25/09/94/1105250994.db2.gz LWCZRJXLCDVLIQ-UHFFFAOYSA-N 0 1 359.429 4.257 20 30 FIEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@H](CCCC#N)c1ccccc1)C2 ZINC000487405032 1105295275 /nfs/dbraw/zinc/29/52/75/1105295275.db2.gz MCDGRGMAHSCTTP-QZTJIDSGSA-N 0 1 364.493 4.189 20 30 FIEDMN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000451965331 1107397841 /nfs/dbraw/zinc/39/78/41/1107397841.db2.gz CPEUWCCRKDOJMX-LJQANCHMSA-N 0 1 355.388 4.002 20 30 FIEDMN CC(C)(C#N)c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000026547715 1107430996 /nfs/dbraw/zinc/43/09/96/1107430996.db2.gz FSGVXBGSVYVVFC-UHFFFAOYSA-N 0 1 368.380 4.307 20 30 FIEDMN C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc(Br)cn1 ZINC000475507266 1107588615 /nfs/dbraw/zinc/58/86/15/1107588615.db2.gz FDYIJGJWFUNVBR-CQSZACIVSA-N 0 1 374.282 4.377 20 30 FIEDMN N#Cc1ccc(N2CCN(Cc3ccc(-c4ccsc4)cc3)CC2)nc1 ZINC000444593398 1108004116 /nfs/dbraw/zinc/00/41/16/1108004116.db2.gz KCICEBIVCHATMZ-UHFFFAOYSA-N 0 1 360.486 4.004 20 30 FIEDMN N#Cc1ccc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000021111591 1108059060 /nfs/dbraw/zinc/05/90/60/1108059060.db2.gz QSFHARDYAGXUCP-UHFFFAOYSA-N 0 1 371.263 4.398 20 30 FIEDMN FC(F)(F)C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000444703063 1108104639 /nfs/dbraw/zinc/10/46/39/1108104639.db2.gz KJKIRXRJAYQECS-CYBMUJFWSA-N 0 1 351.290 4.211 20 30 FIEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1c(C#N)cnc2c(F)cc(F)cc21 ZINC000444865752 1108242952 /nfs/dbraw/zinc/24/29/52/1108242952.db2.gz QZYGCFBZDXIHJT-UHFFFAOYSA-N 0 1 355.392 4.042 20 30 FIEDMN CC(C)Oc1ccc(NC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc1C#N ZINC000444918941 1108306298 /nfs/dbraw/zinc/30/62/98/1108306298.db2.gz BYCKYEHIQWBDEY-UHFFFAOYSA-N 0 1 369.469 4.030 20 30 FIEDMN CSc1ccccc1[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000440623958 1108323942 /nfs/dbraw/zinc/32/39/42/1108323942.db2.gz MHHWZKJBTSHLHY-KXBFYZLASA-N 0 1 365.502 4.126 20 30 FIEDMN C=CC1CCN([C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)CC1 ZINC000523608483 1108357662 /nfs/dbraw/zinc/35/76/62/1108357662.db2.gz IOJNHQWGJAVNAV-OAQYLSRUSA-N 0 1 350.462 4.273 20 30 FIEDMN C=CC1CCN(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000523598870 1108368544 /nfs/dbraw/zinc/36/85/44/1108368544.db2.gz PRFGHJIHABNPKR-IBGZPJMESA-N 0 1 361.917 4.085 20 30 FIEDMN C[C@H](N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000453274185 1108379905 /nfs/dbraw/zinc/37/99/05/1108379905.db2.gz CUDKFMXQLDUXCA-SGTLLEGYSA-N 0 1 366.358 4.490 20 30 FIEDMN Cc1nc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2[nH]1 ZINC000531930531 1108398141 /nfs/dbraw/zinc/39/81/41/1108398141.db2.gz DMWCXVMNNWIJKF-UHFFFAOYSA-N 0 1 372.384 4.167 20 30 FIEDMN C=C(CC)CN[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000453340164 1108435353 /nfs/dbraw/zinc/43/53/53/1108435353.db2.gz CBCAPKHTYMKXMG-OAQYLSRUSA-N 0 1 357.519 4.352 20 30 FIEDMN Cc1nn(C)cc1[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237597545 1108574513 /nfs/dbraw/zinc/57/45/13/1108574513.db2.gz QYGXEPJRZUHNLF-INIZCTEOSA-N 0 1 360.461 4.030 20 30 FIEDMN CC(F)(F)c1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000453563473 1108600697 /nfs/dbraw/zinc/60/06/97/1108600697.db2.gz DLUVMQBMZAVKQK-NSHDSACASA-N 0 1 355.266 4.097 20 30 FIEDMN CC(F)(F)c1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000453563473 1108600700 /nfs/dbraw/zinc/60/07/00/1108600700.db2.gz DLUVMQBMZAVKQK-NSHDSACASA-N 0 1 355.266 4.097 20 30 FIEDMN CN(Cc1ccccc1C#N)CC1(c2ccc(Br)cc2)CC1 ZINC000524991335 1109230730 /nfs/dbraw/zinc/23/07/30/1109230730.db2.gz UYZUZDIMRCAGOH-UHFFFAOYSA-N 0 1 355.279 4.484 20 30 FIEDMN N#Cc1cccc(-c2nnc(CN(Cc3ccccc3)CC3CCC3)o2)c1 ZINC000441223152 1109470385 /nfs/dbraw/zinc/47/03/85/1109470385.db2.gz JVKOFXGJKXSTSR-UHFFFAOYSA-N 0 1 358.445 4.411 20 30 FIEDMN C[C@H](c1cccc(C#N)c1)N1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447398602 1109533470 /nfs/dbraw/zinc/53/34/70/1109533470.db2.gz SNKJTOJYPOEVDY-QZTJIDSGSA-N 0 1 356.473 4.378 20 30 FIEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447400092 1109534275 /nfs/dbraw/zinc/53/42/75/1109534275.db2.gz YJMPMYSIPNXCED-QZTJIDSGSA-N 0 1 356.473 4.378 20 30 FIEDMN C=CCOc1ccc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1Cl ZINC000449410567 1110061478 /nfs/dbraw/zinc/06/14/78/1110061478.db2.gz XOWCJSSOBKJUPG-MRXNPFEDSA-N 0 1 364.917 4.018 20 30 FIEDMN CN(C)C[C@H](NCc1cccc(C#N)c1F)c1ccc(Cl)c(Cl)c1 ZINC000528761828 1110101155 /nfs/dbraw/zinc/10/11/55/1110101155.db2.gz ATTYNZSKDQTBEC-KRWDZBQOSA-N 0 1 366.267 4.397 20 30 FIEDMN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)[C@H]1C1CC1 ZINC000528921903 1110152539 /nfs/dbraw/zinc/15/25/39/1110152539.db2.gz WOWQDLUVFQMWIT-XVSRIUFKSA-N 0 1 374.440 4.418 20 30 FIEDMN N#CC(C(=O)[C@@H]1C[C@H]1c1ccsc1)c1nc2ccccc2n1C(F)F ZINC000528924196 1110152986 /nfs/dbraw/zinc/15/29/86/1110152986.db2.gz MGYJIGHTTGTTCY-YNEHKIRRSA-N 0 1 357.385 4.473 20 30 FIEDMN CC(C)(C)c1nn(-c2ccccc2)cc1CNCc1ccc(C#N)c(F)c1 ZINC000449735645 1110159437 /nfs/dbraw/zinc/15/94/37/1110159437.db2.gz RLEXLNZSDFVQQD-UHFFFAOYSA-N 0 1 362.452 4.470 20 30 FIEDMN N#CCCCOc1cccc(CN2CCN(c3cccc4[nH]ccc43)CC2)c1 ZINC000529668648 1110302633 /nfs/dbraw/zinc/30/26/33/1110302633.db2.gz ICJSBZSCDXWJOQ-UHFFFAOYSA-N 0 1 374.488 4.173 20 30 FIEDMN CC1=C(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CCC(C)(C)C1 ZINC000450676185 1110331847 /nfs/dbraw/zinc/33/18/47/1110331847.db2.gz WIDNKWYBBHWBNP-UHFFFAOYSA-N 0 1 365.521 4.188 20 30 FIEDMN O=C(CC(F)(F)F)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000538792208 1111301182 /nfs/dbraw/zinc/30/11/82/1111301182.db2.gz JIIDLDUVHKSQIP-UHFFFAOYSA-N 0 1 361.192 4.108 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](C)C3(CCC3)C2)c1C ZINC000538943400 1111354645 /nfs/dbraw/zinc/35/46/45/1111354645.db2.gz SEMVSDRSDGKGOW-GOSISDBHSA-N 0 1 353.510 4.062 20 30 FIEDMN N#Cc1ccnc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1Cl ZINC000553112810 1111909637 /nfs/dbraw/zinc/90/96/37/1111909637.db2.gz HDVZUKFXEBEXGW-AWEZNQCLSA-N 0 1 358.232 4.478 20 30 FIEDMN N#CC1(NC(=O)c2cccc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000479290110 1111986325 /nfs/dbraw/zinc/98/63/25/1111986325.db2.gz SKRKYZXBDXQVID-UHFFFAOYSA-N 0 1 369.468 4.128 20 30 FIEDMN CC[C@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(C#N)cc1 ZINC000479523857 1112051830 /nfs/dbraw/zinc/05/18/30/1112051830.db2.gz AINZBNNDEKTKOW-DLBZAZTESA-N 0 1 364.367 4.231 20 30 FIEDMN C=C(C)COc1cc(CNCc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000480449411 1112433708 /nfs/dbraw/zinc/43/37/08/1112433708.db2.gz YPPOJZGJWUEOPR-UHFFFAOYSA-N 0 1 356.422 4.157 20 30 FIEDMN CN(CCC#N)c1ccc(CNCc2cccnc2OC2CCCC2)cc1 ZINC000030914866 1112490287 /nfs/dbraw/zinc/49/02/87/1112490287.db2.gz VQUXLRVVRXQYHP-UHFFFAOYSA-N 0 1 364.493 4.043 20 30 FIEDMN C=C(C)[C@H](N[C@H](C)CC(=O)N1CCCCCC1)c1ccc(F)c(F)c1 ZINC000480658648 1112533905 /nfs/dbraw/zinc/53/39/05/1112533905.db2.gz BMDOUDLGVBSDJO-QRWLVFNGSA-N 0 1 350.453 4.353 20 30 FIEDMN C=C(C)[C@H](N[C@@H](C)CC(=O)NCCc1ccccc1)c1ccc(F)c(F)c1 ZINC000480689621 1112547750 /nfs/dbraw/zinc/54/77/50/1112547750.db2.gz NMJRGIGSZJHUMJ-AOMKIAJQSA-N 0 1 372.459 4.309 20 30 FIEDMN CCS[C@@H]1CCCCN(CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000480944374 1112683270 /nfs/dbraw/zinc/68/32/70/1112683270.db2.gz ZZPZHZNQXYKOGJ-LJQANCHMSA-N 0 1 373.566 4.158 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@H]3CC(C)(C)Oc4ccccc43)[nH]c21 ZINC000842306251 1112928309 /nfs/dbraw/zinc/92/83/09/1112928309.db2.gz HLUQJPCPFBNWSY-HOTGVXAUSA-N 0 1 359.429 4.393 20 30 FIEDMN C=C(C)[C@@H](NC[C@@H](O)COc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000481597042 1112992282 /nfs/dbraw/zinc/99/22/82/1112992282.db2.gz KLCLBMHQAABNPL-AUUYWEPGSA-N 0 1 367.823 4.265 20 30 FIEDMN C=C(C)[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000481615913 1113000625 /nfs/dbraw/zinc/00/06/25/1113000625.db2.gz YKNVEHHADPSAQP-FQEVSTJZSA-N 0 1 355.388 4.072 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccco1 ZINC000158133392 1113210981 /nfs/dbraw/zinc/21/09/81/1113210981.db2.gz DZQRWXDMRMFCJQ-OALUTQOASA-N 0 1 368.481 4.007 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccco1 ZINC000158133541 1113211139 /nfs/dbraw/zinc/21/11/39/1113211139.db2.gz DZQRWXDMRMFCJQ-RBUKOAKNSA-N 0 1 368.481 4.007 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C3CCC3)cc2)n1 ZINC000482589526 1113304251 /nfs/dbraw/zinc/30/42/51/1113304251.db2.gz SRENEQXZJBTJKE-HNNXBMFYSA-N 0 1 354.431 4.077 20 30 FIEDMN Cc1nnc(-c2ccc(C(=O)C(C#N)c3nccc4ccccc43)cc2)o1 ZINC000483210973 1113465900 /nfs/dbraw/zinc/46/59/00/1113465900.db2.gz FPKAUDQHVIIQJH-GOSISDBHSA-N 0 1 354.369 4.083 20 30 FIEDMN N#C[C@H](C(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nccc2ccccc21 ZINC000483214431 1113466573 /nfs/dbraw/zinc/46/65/73/1113466573.db2.gz NRUJHHSPTVYUIX-INIZCTEOSA-N 0 1 374.350 4.189 20 30 FIEDMN N#CC(C(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nccc2ccccc21 ZINC000483214431 1113466577 /nfs/dbraw/zinc/46/65/77/1113466577.db2.gz NRUJHHSPTVYUIX-INIZCTEOSA-N 0 1 374.350 4.189 20 30 FIEDMN CC(C)n1ncc2cc(C(=O)C(C#N)c3nccc4ccccc43)cnc21 ZINC000483238953 1113469462 /nfs/dbraw/zinc/46/94/62/1113469462.db2.gz DHRJNLNJRPXKHL-SFHVURJKSA-N 0 1 355.401 4.050 20 30 FIEDMN N#CCc1ccc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000483258699 1113475527 /nfs/dbraw/zinc/47/55/27/1113475527.db2.gz UVVCAUUERZFDGC-QGZVFWFLSA-N 0 1 368.786 4.248 20 30 FIEDMN Cc1nc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)[nH]c1-c1ccccc1 ZINC000488219159 1113880051 /nfs/dbraw/zinc/88/00/51/1113880051.db2.gz RDMHABSOUYTLAO-CQSZACIVSA-N 0 1 362.458 4.376 20 30 FIEDMN CCN(Cc1ccc2ccccc2c1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488766652 1113990807 /nfs/dbraw/zinc/99/08/07/1113990807.db2.gz VSYUQNRGBNZRTJ-JTSKRJEESA-N 0 1 351.494 4.105 20 30 FIEDMN C=CCn1cccc1C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000488771232 1113992431 /nfs/dbraw/zinc/99/24/31/1113992431.db2.gz QKPVSXWZYHGLCL-UHFFFAOYSA-N 0 1 355.619 4.048 20 30 FIEDMN C=CCn1cccc1C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000488804680 1113997612 /nfs/dbraw/zinc/99/76/12/1113997612.db2.gz VZTBIJOBUPZQHI-UHFFFAOYSA-N 0 1 355.619 4.048 20 30 FIEDMN Cc1c(C=NNc2nc3cc(F)c(F)cc3[nH]2)sc2nc(C)nc(C)c12 ZINC000912822675 1114215401 /nfs/dbraw/zinc/21/54/01/1114215401.db2.gz JKYOQBMZWHDEJC-UHFFFAOYSA-N 0 1 372.404 4.217 20 30 FIEDMN Cc1c(C=N[N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)sc2nc(C)nc(C)c12 ZINC000912822675 1114215403 /nfs/dbraw/zinc/21/54/03/1114215403.db2.gz JKYOQBMZWHDEJC-UHFFFAOYSA-N 0 1 372.404 4.217 20 30 FIEDMN N#Cc1ccc(CN2CCN(Cc3cccc4ccccc43)CC2)c(F)c1 ZINC000029631412 1114339513 /nfs/dbraw/zinc/33/95/13/1114339513.db2.gz RCIIGHPKLHXHHP-UHFFFAOYSA-N 0 1 359.448 4.168 20 30 FIEDMN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(F)cc1C#N ZINC000491072708 1114365645 /nfs/dbraw/zinc/36/56/45/1114365645.db2.gz AEJWWCAJRBHGHP-UHFFFAOYSA-N 0 1 366.415 4.291 20 30 FIEDMN C=CCc1cc(CN[C@H](COC)c2cccc(Cl)c2)cc(OC)c1O ZINC000573282740 1115083939 /nfs/dbraw/zinc/08/39/39/1115083939.db2.gz KZIAQINLORQTDV-GOSISDBHSA-N 0 1 361.869 4.260 20 30 FIEDMN C=C(C)COc1cc(CN[C@H]2COc3c2ccc(C)c3C)ccc1OC ZINC000591722054 1115121790 /nfs/dbraw/zinc/12/17/90/1115121790.db2.gz PUBTTWFSZXHLLG-IBGZPJMESA-N 0 1 353.462 4.490 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3c3nc(C)c(C#N)cc3Cl)[nH]c2c1 ZINC000573892041 1115194671 /nfs/dbraw/zinc/19/46/71/1115194671.db2.gz YWUHMCWLWGINLM-KRWDZBQOSA-N 0 1 351.841 4.441 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CNC2(c3ccccc3C)CC2)c1C ZINC000592139401 1115205187 /nfs/dbraw/zinc/20/51/87/1115205187.db2.gz DEZWJZGBKJVZEO-UHFFFAOYSA-N 0 1 361.489 4.137 20 30 FIEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000592824372 1115267322 /nfs/dbraw/zinc/26/73/22/1115267322.db2.gz IXMBBFCMUKWFFO-DGCLKSJQSA-N 0 1 363.914 4.113 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)CCCc2cccc(Br)c2)n1 ZINC000761001339 1115270395 /nfs/dbraw/zinc/27/03/95/1115270395.db2.gz KBSKCEHJRBINIQ-CQSZACIVSA-N 0 1 363.280 4.413 20 30 FIEDMN N#CC(C(=O)c1ccc(C(F)(F)F)nc1)c1nc2cc(F)ccc2s1 ZINC000592974098 1115272643 /nfs/dbraw/zinc/27/26/43/1115272643.db2.gz NSTNEVYYBDMBCW-JTQLQIEISA-N 0 1 365.311 4.339 20 30 FIEDMN CC(=O)Nc1cc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)ccc1C ZINC000592974055 1115272931 /nfs/dbraw/zinc/27/29/31/1115272931.db2.gz NCLRRDDKFVQNSO-CQSZACIVSA-N 0 1 367.405 4.192 20 30 FIEDMN C[C@H](N[C@H](CCO)c1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000592398038 1115299929 /nfs/dbraw/zinc/29/99/29/1115299929.db2.gz WGZSLVZDQMZGGS-SCLBCKFNSA-N 0 1 364.367 4.231 20 30 FIEDMN CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593200883 1115306277 /nfs/dbraw/zinc/30/62/77/1115306277.db2.gz WTNNVEIIHIDHIH-UHFFFAOYSA-N 0 1 358.463 4.076 20 30 FIEDMN CCN(CC(=O)N[C@H](C)c1ccc(C)c(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000249923768 1115318810 /nfs/dbraw/zinc/31/88/10/1115318810.db2.gz BKQWCFZDJMETBZ-RTBURBONSA-N 0 1 363.505 4.435 20 30 FIEDMN C=CCC1(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCCCC1 ZINC000593348939 1115324688 /nfs/dbraw/zinc/32/46/88/1115324688.db2.gz OUPSQXNVKUEXIO-UHFFFAOYSA-N 0 1 365.521 4.165 20 30 FIEDMN N#CCSc1ccccc1NC(=O)CN1CCC[C@@H]1CC1CCCC1 ZINC000594054691 1115370936 /nfs/dbraw/zinc/37/09/36/1115370936.db2.gz VKJTVPHZABRIAX-QGZVFWFLSA-N 0 1 357.523 4.285 20 30 FIEDMN N#Cc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)c(C(F)(F)F)c1 ZINC000574445649 1115382115 /nfs/dbraw/zinc/38/21/15/1115382115.db2.gz NRIKGIDVMIJCKJ-LJQANCHMSA-N 0 1 358.363 4.208 20 30 FIEDMN C=CCCn1cc(CNCCSCc2cccc3ccccc32)nn1 ZINC000594921869 1115489771 /nfs/dbraw/zinc/48/97/71/1115489771.db2.gz DGDUIKCCIIWTPV-UHFFFAOYSA-N 0 1 352.507 4.030 20 30 FIEDMN COc1ccc(OC(F)F)c(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594931801 1115500402 /nfs/dbraw/zinc/50/04/02/1115500402.db2.gz IVXCZDGGOXTTHY-UHFFFAOYSA-N 0 1 358.388 4.142 20 30 FIEDMN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc(Br)cn1 ZINC000594938104 1115500856 /nfs/dbraw/zinc/50/08/56/1115500856.db2.gz SHMAQLPYSHCXNQ-CYBMUJFWSA-N 0 1 356.267 4.250 20 30 FIEDMN Cn1c(CNCc2ccc(C3(C#N)CC3)cc2)nc2cccc(Cl)c21 ZINC000594944497 1115501631 /nfs/dbraw/zinc/50/16/31/1115501631.db2.gz JCYCYNKYSFOUOA-UHFFFAOYSA-N 0 1 350.853 4.072 20 30 FIEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc2c(s1)CCCCCC2 ZINC000059411055 1115504416 /nfs/dbraw/zinc/50/44/16/1115504416.db2.gz AZRDKSNYZDHORG-UHFFFAOYSA-N 0 1 353.451 4.224 20 30 FIEDMN COc1ccccc1-c1cc(CN[C@H]2CCCc3cc(C#N)ccc32)on1 ZINC000595101384 1115516157 /nfs/dbraw/zinc/51/61/57/1115516157.db2.gz FEFNLPKNKRHHDM-FQEVSTJZSA-N 0 1 359.429 4.389 20 30 FIEDMN CC(C)(C)C(=O)N1CCC[C@H](CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000595335667 1115523485 /nfs/dbraw/zinc/52/34/85/1115523485.db2.gz UUHPZCHENCRJPK-GIVPXCGWSA-N 0 1 367.537 4.043 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c(Br)c1 ZINC000595789316 1115563579 /nfs/dbraw/zinc/56/35/79/1115563579.db2.gz QUMIQXFSWYZSLM-AEFFLSMTSA-N 0 1 363.299 4.102 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000596097533 1115571976 /nfs/dbraw/zinc/57/19/76/1115571976.db2.gz YTDQPUNAMFCUTI-NHCUHLMSSA-N 0 1 354.457 4.398 20 30 FIEDMN C=CCCSCCNC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000596721676 1115614299 /nfs/dbraw/zinc/61/42/99/1115614299.db2.gz MCKDJAXMEMJEQV-KRWDZBQOSA-N 0 1 358.511 4.027 20 30 FIEDMN COc1cc(Cl)cc(CN2CC=C(c3ccc(C#N)cc3)CC2)c1O ZINC000761202506 1115619532 /nfs/dbraw/zinc/61/95/32/1115619532.db2.gz FLICMVYLVGFHQC-UHFFFAOYSA-N 0 1 354.837 4.215 20 30 FIEDMN CC(C)OC(=O)C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000597133977 1115642978 /nfs/dbraw/zinc/64/29/78/1115642978.db2.gz YWNFWMGSVGLVRL-OAQYLSRUSA-N 0 1 362.473 4.414 20 30 FIEDMN Cc1ccc(OC2CCN(CCOc3ccccc3C#N)CC2)cc1C ZINC000060477811 1115646104 /nfs/dbraw/zinc/64/61/04/1115646104.db2.gz OUIIWPNHUZDJCG-UHFFFAOYSA-N 0 1 350.462 4.097 20 30 FIEDMN COc1cc(CN2CCC[C@H](CC#N)C2)ccc1OCc1cccs1 ZINC000597173560 1115646349 /nfs/dbraw/zinc/64/63/49/1115646349.db2.gz JZOSPQPNCDJELY-MRXNPFEDSA-N 0 1 356.491 4.461 20 30 FIEDMN CC(C)=CCC[C@H](C)CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593347798 1115663872 /nfs/dbraw/zinc/66/38/72/1115663872.db2.gz GEKBLADOFONJMN-IBGZPJMESA-N 0 1 367.537 4.411 20 30 FIEDMN Cc1ccc(/C=C\CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000593355442 1115666064 /nfs/dbraw/zinc/66/60/64/1115666064.db2.gz XIIWCWAQRPZDBL-ARJAWSKDSA-N 0 1 373.500 4.051 20 30 FIEDMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CCc1ccc(C#N)cc1 ZINC000597724406 1115682525 /nfs/dbraw/zinc/68/25/25/1115682525.db2.gz GXFXBUSXEDTPQZ-ZDUSSCGKSA-N 0 1 366.852 4.240 20 30 FIEDMN N#Cc1cccc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000602446211 1115705462 /nfs/dbraw/zinc/70/54/62/1115705462.db2.gz YMGDASTWKKGJCJ-UHFFFAOYSA-N 0 1 352.825 4.127 20 30 FIEDMN Fc1ccc(Br)c(CN=Nc2cccc(C(F)(F)F)n2)c1 ZINC000761267303 1115714710 /nfs/dbraw/zinc/71/47/10/1115714710.db2.gz QTHKBVDJPNJDBV-UHFFFAOYSA-N 0 1 362.124 4.448 20 30 FIEDMN CC(N=Nc1cncc(Br)c1)c1nc2c(s1)CCCC2 ZINC000761270849 1115717871 /nfs/dbraw/zinc/71/78/71/1115717871.db2.gz CNKBHHSMLCLTQB-UHFFFAOYSA-N 0 1 351.273 4.016 20 30 FIEDMN COc1cccc([C@@H](NC[C@H](O)CC(C)(C)C#N)c2ccccc2Cl)c1 ZINC000598720083 1115747931 /nfs/dbraw/zinc/74/79/31/1115747931.db2.gz MCDLCFBVRJXPNC-OXQOHEQNSA-N 0 1 372.896 4.328 20 30 FIEDMN N#Cc1ccc(C2(NCc3cccc(OC4CC4)c3F)CCOCC2)cc1 ZINC000599005730 1115776679 /nfs/dbraw/zinc/77/66/79/1115776679.db2.gz PVSZDDBSXSZHKC-UHFFFAOYSA-N 0 1 366.436 4.034 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000603645837 1115801254 /nfs/dbraw/zinc/80/12/54/1115801254.db2.gz OHNNVIRJUIMELN-LJQANCHMSA-N 0 1 370.884 4.416 20 30 FIEDMN N#Cc1cc2c(nc1NC[C@H](c1ccccc1Cl)N1CCCC1)CCC2 ZINC000603838343 1115818242 /nfs/dbraw/zinc/81/82/42/1115818242.db2.gz HDYZSWHDYMUXPK-HXUWFJFHSA-N 0 1 366.896 4.344 20 30 FIEDMN N#Cc1ccc(CN2CC[C@@H](Sc3ccc(Br)cc3)C2)nc1 ZINC000599526821 1115823138 /nfs/dbraw/zinc/82/31/38/1115823138.db2.gz UJMCHGKQXDMPKP-QGZVFWFLSA-N 0 1 374.307 4.082 20 30 FIEDMN CC(C)c1nc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)cs1 ZINC000171146179 1115843330 /nfs/dbraw/zinc/84/33/30/1115843330.db2.gz RBUNSQNMVGTKQF-HNNXBMFYSA-N 0 1 363.442 4.381 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccc(Oc3ccccc3)nc2)cc1 ZINC000171563566 1115871493 /nfs/dbraw/zinc/87/14/93/1115871493.db2.gz NAAQBNGBPARMBN-KRWDZBQOSA-N 0 1 359.429 4.455 20 30 FIEDMN Cc1c(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cnn1-c1ccccc1C ZINC000605363353 1115891085 /nfs/dbraw/zinc/89/10/85/1115891085.db2.gz VNUJIWQTTLPSCB-INIZCTEOSA-N 0 1 369.428 4.164 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3csc(Br)c3)[nH]c21 ZINC000605363054 1115891154 /nfs/dbraw/zinc/89/11/54/1115891154.db2.gz FMYAUTVIYRAHLT-SNVBAGLBSA-N 0 1 360.236 4.185 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cc(Br)cs3)[nH]c21 ZINC000605363174 1115891361 /nfs/dbraw/zinc/89/13/61/1115891361.db2.gz NDOAOQMSNPFAAU-SNVBAGLBSA-N 0 1 360.236 4.185 20 30 FIEDMN C=CCCCN(C)C(=O)NC[C@H](c1ccccc1Cl)N(CC)CC ZINC000605946773 1115924325 /nfs/dbraw/zinc/92/43/25/1115924325.db2.gz TZXOGRQCZHPFIM-GOSISDBHSA-N 0 1 351.922 4.331 20 30 FIEDMN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000173976202 1116104583 /nfs/dbraw/zinc/10/45/83/1116104583.db2.gz ZAAMBFNLMXRBEG-NTZNESFSSA-N 0 1 353.249 4.467 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C2CCCCCCC2)cc1Cl ZINC000173980044 1116104718 /nfs/dbraw/zinc/10/47/18/1116104718.db2.gz HYALZXJFSZTLAD-OAHLLOKOSA-N 0 1 362.857 4.356 20 30 FIEDMN CCC[C@@H](NC(=O)CN(Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000063750892 1116105662 /nfs/dbraw/zinc/10/56/62/1116105662.db2.gz WVAUVLJWUNNFFR-JOCHJYFZSA-N 0 1 363.505 4.426 20 30 FIEDMN N#Cc1ccc(OC(F)F)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000609069286 1116248013 /nfs/dbraw/zinc/24/80/13/1116248013.db2.gz PFKKBIRMRKOPNN-UHFFFAOYSA-N 0 1 374.368 4.114 20 30 FIEDMN N#Cc1ccccc1COc1cccc(CNc2ccc3nn[nH]c3c2)c1 ZINC000535249968 1116286971 /nfs/dbraw/zinc/28/69/71/1116286971.db2.gz DITNVQJLCVRJKX-UHFFFAOYSA-N 0 1 355.401 4.021 20 30 FIEDMN N#Cc1ccccc1COc1cccc(CNc2ccc3n[nH]nc3c2)c1 ZINC000535249968 1116286973 /nfs/dbraw/zinc/28/69/73/1116286973.db2.gz DITNVQJLCVRJKX-UHFFFAOYSA-N 0 1 355.401 4.021 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccccc2COCc2ccccc2)cc1O ZINC000442725251 1116292869 /nfs/dbraw/zinc/29/28/69/1116292869.db2.gz YFLGEXCZCHEVKT-UHFFFAOYSA-N 0 1 358.397 4.233 20 30 FIEDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc(Cl)c(C#N)c2)[nH]1 ZINC000539784517 1116379150 /nfs/dbraw/zinc/37/91/50/1116379150.db2.gz UAVWZMCFYFJCAT-UHFFFAOYSA-N 0 1 365.824 4.372 20 30 FIEDMN C=CCOc1ccc(CN2CCC(CCC(=O)OC)CC2)cc1Cl ZINC000539827797 1116387348 /nfs/dbraw/zinc/38/73/48/1116387348.db2.gz CCPIGFADRRMXTJ-UHFFFAOYSA-N 0 1 351.874 4.070 20 30 FIEDMN Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c(OC[C@H]2CCCO2)c1 ZINC000540708301 1118196099 /nfs/dbraw/zinc/19/60/99/1118196099.db2.gz RQEKHJXUUTYRBD-OXQOHEQNSA-N 0 1 368.452 4.414 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)c2cn[nH]c2-c2ccc(OC)cc2)c1 ZINC000463556256 1118212127 /nfs/dbraw/zinc/21/21/27/1118212127.db2.gz ICFVTWSRYLOCCX-UHFFFAOYSA-N 0 1 363.417 4.293 20 30 FIEDMN CSc1c(F)cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1F ZINC000541306174 1118468110 /nfs/dbraw/zinc/46/81/10/1118468110.db2.gz HNXRQIISIOGIIL-UHFFFAOYSA-N 0 1 374.821 4.013 20 30 FIEDMN CCOc1ncc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1Cl ZINC000464468165 1118572988 /nfs/dbraw/zinc/57/29/88/1118572988.db2.gz MGKKRWHXIFFSSD-NSHDSACASA-N 0 1 369.730 4.038 20 30 FIEDMN CCOc1ncc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1Cl ZINC000464468164 1118573074 /nfs/dbraw/zinc/57/30/74/1118573074.db2.gz MGKKRWHXIFFSSD-LLVKDONJSA-N 0 1 369.730 4.038 20 30 FIEDMN N#CCc1ccc(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000542209323 1118853314 /nfs/dbraw/zinc/85/33/14/1118853314.db2.gz CRTXBXJLRMSKTQ-UHFFFAOYSA-N 0 1 373.422 4.089 20 30 FIEDMN O[C@@H](C[C@@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000151658697 1118957036 /nfs/dbraw/zinc/95/70/36/1118957036.db2.gz DORWRLDIZRVWMQ-ROUUACIJSA-N 0 1 363.379 4.238 20 30 FIEDMN CC1(C)c2cc(C(=O)C(C#N)c3nc4ccccc4s3)ccc2NC1=O ZINC000492262952 1119057440 /nfs/dbraw/zinc/05/74/40/1119057440.db2.gz YOZSLLHNCVGFSQ-GFCCVEGCSA-N 0 1 361.426 4.016 20 30 FIEDMN Cc1cc(C2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)n[nH]1 ZINC000272025871 1119104660 /nfs/dbraw/zinc/10/46/60/1119104660.db2.gz AJUMORNXBBGDJF-UHFFFAOYSA-N 0 1 370.456 4.277 20 30 FIEDMN N#Cc1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000031092725 1119243745 /nfs/dbraw/zinc/24/37/45/1119243745.db2.gz VFDNZYBOXBRWEE-LJQANCHMSA-N 0 1 368.868 4.170 20 30 FIEDMN CCCn1nc(C)c(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000177587518 1119338269 /nfs/dbraw/zinc/33/82/69/1119338269.db2.gz ZUIIWDGHIKVSMI-ZDUSSCGKSA-N 0 1 371.391 4.145 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)n1 ZINC000177751121 1119349378 /nfs/dbraw/zinc/34/93/78/1119349378.db2.gz JBOMVXPAFMHVCB-PWSUYJOCSA-N 0 1 371.487 4.189 20 30 FIEDMN CC(C)c1csc([C@H](C#N)C(=O)c2ccnc(OCC(F)(F)F)c2)n1 ZINC000177765184 1119349968 /nfs/dbraw/zinc/34/99/68/1119349968.db2.gz JBGPBRPBAJCTJQ-LLVKDONJSA-N 0 1 369.368 4.093 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccnc(OCC(F)(F)F)c2)n1 ZINC000177765184 1119349972 /nfs/dbraw/zinc/34/99/72/1119349972.db2.gz JBGPBRPBAJCTJQ-LLVKDONJSA-N 0 1 369.368 4.093 20 30 FIEDMN CCCN(CC)c1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000183128779 1119566692 /nfs/dbraw/zinc/56/66/92/1119566692.db2.gz CLDVNHXUOABSCY-HNNXBMFYSA-N 0 1 356.495 4.388 20 30 FIEDMN Cc1c2ccccc2oc1[C@H](C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000183587164 1119577282 /nfs/dbraw/zinc/57/72/82/1119577282.db2.gz NPKUGQKTTFFNQY-KRWDZBQOSA-N 0 1 361.445 4.339 20 30 FIEDMN Cc1c(Br)scc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000186987577 1119759838 /nfs/dbraw/zinc/75/98/38/1119759838.db2.gz VYEAIIZTQYSBFQ-SECBINFHSA-N 0 1 360.236 4.185 20 30 FIEDMN COc1ccc(CN2Cc3ccccc3C3(CC3)C2)cc1OCCCC#N ZINC000187676997 1119794596 /nfs/dbraw/zinc/79/45/96/1119794596.db2.gz VWUSOQKWBANCBD-UHFFFAOYSA-N 0 1 362.473 4.425 20 30 FIEDMN C/C(=C\c1ccccc1)CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000494267794 1119816722 /nfs/dbraw/zinc/81/67/22/1119816722.db2.gz JQDGALCJNIPPOL-XJZVHDHVSA-N 0 1 361.489 4.357 20 30 FIEDMN Cc1ccc(C(=O)C=CC(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC001168469296 1120217108 /nfs/dbraw/zinc/21/71/08/1120217108.db2.gz KXYPNJKABFOUFR-XPSMFNQNSA-N 0 1 367.836 4.141 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2SC2CCCC2)cc1 ZINC000032094455 1120377896 /nfs/dbraw/zinc/37/78/96/1120377896.db2.gz PWEIYFWTMODMHA-UHFFFAOYSA-N 0 1 358.488 4.394 20 30 FIEDMN Cn1c(N=NCc2ccc(F)c(Cl)c2Cl)nnc1-c1ccccc1 ZINC000761782098 1120396727 /nfs/dbraw/zinc/39/67/27/1120396727.db2.gz JRQYWXQVGWYQGP-UHFFFAOYSA-N 0 1 364.211 4.374 20 30 FIEDMN C=CC[C@@H](CO)CN[C@H](c1ccccc1)c1ccccc1Br ZINC000495061370 1120449161 /nfs/dbraw/zinc/44/91/61/1120449161.db2.gz COOFFFVNENMSFW-DNVCBOLYSA-N 0 1 360.295 4.313 20 30 FIEDMN CC(=NNC(=S)Nc1ccccc1F)c1[nH]c(-c2ccccc2)nc1C ZINC000915110113 1120809413 /nfs/dbraw/zinc/80/94/13/1120809413.db2.gz MRXBCOWFOZQDNK-UHFFFAOYSA-N 0 1 367.453 4.235 20 30 FIEDMN CCOC(=O)N[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)CC(C)C ZINC000915112899 1120819987 /nfs/dbraw/zinc/81/99/87/1120819987.db2.gz JTAOMEQRYXOHKZ-KMDAILJESA-N 0 1 361.269 4.279 20 30 FIEDMN CC(=Cc1ccc(-c2ccc(F)cc2)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193613338 1120982347 /nfs/dbraw/zinc/98/23/47/1120982347.db2.gz NMMZIUWUFBKKHQ-PKNBQFBNSA-N 0 1 351.406 4.378 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000488012106 1121042973 /nfs/dbraw/zinc/04/29/73/1121042973.db2.gz WVKGXWHXNWUKKM-UHFFFAOYSA-N 0 1 359.414 4.119 20 30 FIEDMN Cc1ccc(-c2n[nH]c(SCCCOc3ccc(C#N)cc3)n2)cc1 ZINC000915792000 1121060020 /nfs/dbraw/zinc/06/00/20/1121060020.db2.gz BVCLVAGLWHYLTG-UHFFFAOYSA-N 0 1 350.447 4.213 20 30 FIEDMN N#Cc1ccc(CNCc2cccc(OCc3ccccc3Cl)c2)nc1 ZINC000780555098 1121120032 /nfs/dbraw/zinc/12/00/32/1121120032.db2.gz NTGRHPUYPYCJIL-UHFFFAOYSA-N 0 1 363.848 4.475 20 30 FIEDMN COc1ccc(OCc2nc(-c3nc4ccc(C#N)cc4[nH]3)cs2)cc1 ZINC000122771412 1121151380 /nfs/dbraw/zinc/15/13/80/1121151380.db2.gz RFKFIWOQNXIBFO-UHFFFAOYSA-N 0 1 362.414 4.146 20 30 FIEDMN N#CCc1ccsc1C(=O)Nc1ccc2nc(-c3ccncc3)[nH]c2c1 ZINC001649020165 1121193781 /nfs/dbraw/zinc/19/37/81/1121193781.db2.gz GOCSFBVHFUEORU-UHFFFAOYSA-N 0 1 359.414 4.005 20 30 FIEDMN FC(F)(F)c1ccc(N=NCc2cc(Br)cs2)nc1 ZINC000915918021 1121348275 /nfs/dbraw/zinc/34/82/75/1121348275.db2.gz YETQSAIZGMIUEB-UHFFFAOYSA-N 0 1 350.163 4.370 20 30 FIEDMN Clc1ccccc1CN1CCC(N=Nc2ncnc3sccc32)CC1 ZINC000915956629 1121353319 /nfs/dbraw/zinc/35/33/19/1121353319.db2.gz WYZODPRWKKJNMB-UHFFFAOYSA-N 0 1 371.897 4.409 20 30 FIEDMN C(=NNCc1cccc2cccnc21)c1ccc(N2CCCCC2)s1 ZINC000915959194 1121353503 /nfs/dbraw/zinc/35/35/03/1121353503.db2.gz IFILBOZEPGHFDE-UHFFFAOYSA-N 0 1 350.491 4.410 20 30 FIEDMN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CN=Nc1cc(C)nc(C)n1 ZINC000915970804 1121357127 /nfs/dbraw/zinc/35/71/27/1121357127.db2.gz NROROUBVDOWYPZ-UHFFFAOYSA-N 0 1 368.872 4.054 20 30 FIEDMN c1c(CN=Nc2ccccn2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000916276214 1121462159 /nfs/dbraw/zinc/46/21/59/1121462159.db2.gz PXJDWYGUNQXRFH-UHFFFAOYSA-N 0 1 353.429 4.439 20 30 FIEDMN Cc1ccc(C=NNc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000916289420 1121465278 /nfs/dbraw/zinc/46/52/78/1121465278.db2.gz FVTDJLIGUSWHRM-UHFFFAOYSA-N 0 1 358.707 4.416 20 30 FIEDMN Fc1ccc(Br)cc1C=NNc1ncnc2sccc21 ZINC000916368697 1121482213 /nfs/dbraw/zinc/48/22/13/1121482213.db2.gz WNIXBFZNEWZPKR-UHFFFAOYSA-N 0 1 351.204 4.039 20 30 FIEDMN COc1cc(CN=Nc2cc(C)c3cc(Cl)ccc3n2)cc(O)c1O ZINC000916544015 1121538986 /nfs/dbraw/zinc/53/89/86/1121538986.db2.gz ODLYVCNENFMJRC-UHFFFAOYSA-N 0 1 357.797 4.062 20 30 FIEDMN N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)o1 ZINC000130458834 1121583119 /nfs/dbraw/zinc/58/31/19/1121583119.db2.gz WBOYCGGERUBFMV-JTQLQIEISA-N 0 1 357.580 4.201 20 30 FIEDMN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)o1 ZINC000130458834 1121583125 /nfs/dbraw/zinc/58/31/25/1121583125.db2.gz WBOYCGGERUBFMV-JTQLQIEISA-N 0 1 357.580 4.201 20 30 FIEDMN C=C[C@H](CC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1ccccc1 ZINC000125166685 1121751271 /nfs/dbraw/zinc/75/12/71/1121751271.db2.gz VSSXBVAWQKDKRV-UYAOXDASSA-N 0 1 352.478 4.201 20 30 FIEDMN N#CC(C(=O)CSCc1ccc(F)cc1)c1ccc2ccccc2n1 ZINC000916849735 1121873504 /nfs/dbraw/zinc/87/35/04/1121873504.db2.gz ZKXNFJFFFDAYRR-KRWDZBQOSA-N 0 1 350.418 4.484 20 30 FIEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000916884109 1121909169 /nfs/dbraw/zinc/90/91/69/1121909169.db2.gz SBKWEMQCLQVKHY-WDMOLILDSA-N 0 1 372.774 4.356 20 30 FIEDMN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000916894881 1121923679 /nfs/dbraw/zinc/92/36/79/1121923679.db2.gz BKJDJRKYOSWGSF-QFBILLFUSA-N 0 1 370.493 4.044 20 30 FIEDMN CC(C)c1ccc(SCC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916895237 1121923963 /nfs/dbraw/zinc/92/39/63/1121923963.db2.gz HMXJBKQTMWNCQX-SFHVURJKSA-N 0 1 358.507 4.060 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000126217502 1121937568 /nfs/dbraw/zinc/93/75/68/1121937568.db2.gz GHLGUAFXEAHPOC-CABCVRRESA-N 0 1 373.859 4.465 20 30 FIEDMN CC(C)Cn1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c2ccccc21 ZINC000065880144 1121997338 /nfs/dbraw/zinc/99/73/38/1121997338.db2.gz RQGZIRIGTFESLC-UHFFFAOYSA-N 0 1 360.421 4.114 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000154257946 1122018644 /nfs/dbraw/zinc/01/86/44/1122018644.db2.gz LRANRCMSKLBCDH-HNNXBMFYSA-N 0 1 351.406 4.050 20 30 FIEDMN C[C@@H](C#N)Oc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000154257946 1122018648 /nfs/dbraw/zinc/01/86/48/1122018648.db2.gz LRANRCMSKLBCDH-HNNXBMFYSA-N 0 1 351.406 4.050 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(OCc3ccccc3C#N)c2)n1 ZINC000066504231 1122068606 /nfs/dbraw/zinc/06/86/06/1122068606.db2.gz BWRLPYPTCAVRMO-IBGZPJMESA-N 0 1 373.437 4.392 20 30 FIEDMN C=CCN(CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)C(C)C ZINC000917070526 1122076897 /nfs/dbraw/zinc/07/68/97/1122076897.db2.gz CZFNAOUCTVVYLY-OAQYLSRUSA-N 0 1 356.897 4.442 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc3c[nH]nc32)cc1 ZINC000131569692 1122085292 /nfs/dbraw/zinc/08/52/92/1122085292.db2.gz USQKGQPFXHIBIV-FZKQIMNGSA-N 0 1 360.417 4.038 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000066856237 1122104091 /nfs/dbraw/zinc/10/40/91/1122104091.db2.gz INOWLJOTEPFBCZ-LBPRGKRZSA-N 0 1 352.419 4.316 20 30 FIEDMN N#Cc1cc(F)c(C(=O)Nc2c(F)cc(Br)cc2F)c(F)c1 ZINC000153542729 1122124250 /nfs/dbraw/zinc/12/42/50/1122124250.db2.gz OTWTUAVHDQQXBG-UHFFFAOYSA-N 0 1 373.103 4.129 20 30 FIEDMN Cn1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1C1CCC1 ZINC000497366475 1122145707 /nfs/dbraw/zinc/14/57/07/1122145707.db2.gz RLWYPAQAQOGUFT-INIZCTEOSA-N 0 1 362.458 4.301 20 30 FIEDMN Cn1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c1C1CCC1 ZINC000497366475 1122145713 /nfs/dbraw/zinc/14/57/13/1122145713.db2.gz RLWYPAQAQOGUFT-INIZCTEOSA-N 0 1 362.458 4.301 20 30 FIEDMN CC(C)Oc1cccc([C@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000056157021 1122295912 /nfs/dbraw/zinc/29/59/12/1122295912.db2.gz GHIPNJDBGSVBNJ-JKSUJKDBSA-N 0 1 351.450 4.023 20 30 FIEDMN Clc1ccc(-c2ccc(C=NNc3ncnc4nc[nH]c43)o2)cc1Cl ZINC000917556283 1122359764 /nfs/dbraw/zinc/35/97/64/1122359764.db2.gz ZCEMTVUKAOLSEQ-UHFFFAOYSA-N 0 1 373.203 4.366 20 30 FIEDMN Oc1ccccc1/C=N\C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000917557523 1122361739 /nfs/dbraw/zinc/36/17/39/1122361739.db2.gz PYTGTSDKLHKVQJ-CFRMEGHHSA-N 0 1 362.395 4.495 20 30 FIEDMN CON=Cc1ccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc1 ZINC000918654231 1122737463 /nfs/dbraw/zinc/73/74/63/1122737463.db2.gz SUIHJUHZTSIASS-UHFFFAOYSA-N 0 1 360.373 4.056 20 30 FIEDMN Cc1ccc(-c2nc(C=NNc3nnc(-c4ccccc4)n3C)cs2)cc1 ZINC000918712205 1122758188 /nfs/dbraw/zinc/75/81/88/1122758188.db2.gz HEEWGZKHKUXINZ-UHFFFAOYSA-N 0 1 374.473 4.360 20 30 FIEDMN Cc1ccc(-c2nc(C=[NH+][N-]c3nnc(-c4ccccc4)n3C)cs2)cc1 ZINC000918712205 1122758194 /nfs/dbraw/zinc/75/81/94/1122758194.db2.gz HEEWGZKHKUXINZ-UHFFFAOYSA-N 0 1 374.473 4.360 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000498442138 1122804279 /nfs/dbraw/zinc/80/42/79/1122804279.db2.gz CKHJKWYODGCOPF-UHFFFAOYSA-N 0 1 358.445 4.309 20 30 FIEDMN C[C@@H](c1ccc2ccccc2c1)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000072037638 1122971048 /nfs/dbraw/zinc/97/10/48/1122971048.db2.gz JSVPNYHYPLAVMJ-HJPURHCSSA-N 0 1 361.489 4.174 20 30 FIEDMN CCOC(=O)[C@@H](Cc1ccccc1)/N=C\c1cc(Cl)cc(Cl)c1O ZINC000920174043 1123403237 /nfs/dbraw/zinc/40/32/37/1123403237.db2.gz JDJDYQOYVRKTIJ-NBZOHKLQSA-N 0 1 366.244 4.292 20 30 FIEDMN C#CCOc1ccccc1CNCc1c(C)nn(-c2ccccc2C)c1C ZINC000920412680 1123453530 /nfs/dbraw/zinc/45/35/30/1123453530.db2.gz CFYDEWMRNLQJAL-UHFFFAOYSA-N 0 1 359.473 4.099 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)n1 ZINC000076763305 1123628918 /nfs/dbraw/zinc/62/89/18/1123628918.db2.gz YNMJAALGRBEYPO-CQSZACIVSA-N 0 1 356.838 4.089 20 30 FIEDMN CCOc1ccc(N(CCC#N)C(=O)c2ccc(CN(CC)CC)o2)cc1 ZINC000609413507 1123703469 /nfs/dbraw/zinc/70/34/69/1123703469.db2.gz JTSSZKVWVUBYFU-UHFFFAOYSA-N 0 1 369.465 4.081 20 30 FIEDMN N#CC(C(=O)Nc1nc2ccccc2s1)c1nc2cc(F)ccc2s1 ZINC000609627418 1123773791 /nfs/dbraw/zinc/77/37/91/1123773791.db2.gz PBUTZDJZTIRDIE-JTQLQIEISA-N 0 1 368.418 4.291 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000136091572 1123837989 /nfs/dbraw/zinc/83/79/89/1123837989.db2.gz YOUZJIPOAOSKKP-QGZVFWFLSA-N 0 1 361.426 4.194 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000136091572 1123837994 /nfs/dbraw/zinc/83/79/94/1123837994.db2.gz YOUZJIPOAOSKKP-QGZVFWFLSA-N 0 1 361.426 4.194 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000136091527 1123838065 /nfs/dbraw/zinc/83/80/65/1123838065.db2.gz YOUZJIPOAOSKKP-KRWDZBQOSA-N 0 1 361.426 4.194 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000136091527 1123838070 /nfs/dbraw/zinc/83/80/70/1123838070.db2.gz YOUZJIPOAOSKKP-KRWDZBQOSA-N 0 1 361.426 4.194 20 30 FIEDMN CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2N(C)C(=O)C2CC2)n1 ZINC000080452806 1123966181 /nfs/dbraw/zinc/96/61/81/1123966181.db2.gz VANLDXFKPBWJSX-OAHLLOKOSA-N 0 1 367.474 4.129 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccccc2N(C)C(=O)C2CC2)n1 ZINC000080452806 1123966183 /nfs/dbraw/zinc/96/61/83/1123966183.db2.gz VANLDXFKPBWJSX-OAHLLOKOSA-N 0 1 367.474 4.129 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(SC(C)C)cc2)n1 ZINC000067897744 1123987180 /nfs/dbraw/zinc/98/71/80/1123987180.db2.gz YVCHXEDKVHIHTQ-AWEZNQCLSA-N 0 1 374.487 4.310 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CNCc2ccccc2OCC(F)(F)F)cc1 ZINC000237579311 1123989041 /nfs/dbraw/zinc/98/90/41/1123989041.db2.gz FYEANYZPFVYPNT-CQSZACIVSA-N 0 1 364.367 4.208 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CNCc2ccnc(OC3CCCCC3)c2)cc1 ZINC000237601509 1123994406 /nfs/dbraw/zinc/99/44/06/1123994406.db2.gz GCJNCWZWBDTOHX-QGZVFWFLSA-N 0 1 365.477 4.374 20 30 FIEDMN C=CCN(CCC(=O)NCc1ccccc1Cl)Cc1ccccc1F ZINC000615463611 1124017773 /nfs/dbraw/zinc/01/77/73/1124017773.db2.gz AFEVPVOUYPQVNT-UHFFFAOYSA-N 0 1 360.860 4.174 20 30 FIEDMN C#CCOc1ccccc1CNCc1ccc(C)cc1OCC(F)(F)F ZINC000237749928 1124048809 /nfs/dbraw/zinc/04/88/09/1124048809.db2.gz VDEBRNYRHKCXMC-UHFFFAOYSA-N 0 1 363.379 4.238 20 30 FIEDMN Cc1cc(C)c2ncc(C#N)c(NC3CCN(Cc4ccccn4)CC3)c2c1 ZINC000301387141 1124224185 /nfs/dbraw/zinc/22/41/85/1124224185.db2.gz XSIMLEBHJDBUDO-UHFFFAOYSA-N 0 1 371.488 4.195 20 30 FIEDMN N#Cc1ccc(NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cn1 ZINC000301530883 1124240252 /nfs/dbraw/zinc/24/02/52/1124240252.db2.gz RWKUBAAJFXTCKE-FQEVSTJZSA-N 0 1 360.486 4.226 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4ccc(C#N)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000302027822 1124278684 /nfs/dbraw/zinc/27/86/84/1124278684.db2.gz ANNUVBFOVWQRNH-OAHLLOKOSA-N 0 1 361.405 4.035 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4snc(Cl)c4C#N)C3)[nH]c2c1 ZINC000302065712 1124281168 /nfs/dbraw/zinc/28/11/68/1124281168.db2.gz VZBCPCKERQUKDW-LLVKDONJSA-N 0 1 357.870 4.237 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4snc(Cl)c4C#N)C3)[nH]c2c1 ZINC000302065713 1124281891 /nfs/dbraw/zinc/28/18/91/1124281891.db2.gz VZBCPCKERQUKDW-NSHDSACASA-N 0 1 357.870 4.237 20 30 FIEDMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2cccc(OC(C)C)c2)n1 ZINC000069128664 1124506658 /nfs/dbraw/zinc/50/66/58/1124506658.db2.gz GRKCCEWNVJQJLE-UHFFFAOYSA-N 0 1 366.421 4.098 20 30 FIEDMN CC(C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000247046249 1124584951 /nfs/dbraw/zinc/58/49/51/1124584951.db2.gz JFFDQMJLWBJBKC-SJLPKXTDSA-N 0 1 359.539 4.387 20 30 FIEDMN CC(C)[C@H]1CCCCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000247046249 1124584957 /nfs/dbraw/zinc/58/49/57/1124584957.db2.gz JFFDQMJLWBJBKC-SJLPKXTDSA-N 0 1 359.539 4.387 20 30 FIEDMN CN(CCC(=O)Nc1sccc1C#N)Cc1ccc(Cl)cc1Cl ZINC000008064685 1124953660 /nfs/dbraw/zinc/95/36/60/1124953660.db2.gz QHWUUBHAGNQECK-UHFFFAOYSA-N 0 1 368.289 4.387 20 30 FIEDMN CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000090665095 1125012055 /nfs/dbraw/zinc/01/20/55/1125012055.db2.gz OWLLHCHCBMUHDY-OXQOHEQNSA-N 0 1 371.506 4.144 20 30 FIEDMN N#Cc1ccc(CN2CCCN(C(=O)CC/C=C\c3ccccc3)CC2)cc1 ZINC000255047515 1125138403 /nfs/dbraw/zinc/13/84/03/1125138403.db2.gz YIJHBHCKHCZRFV-WTKPLQERSA-N 0 1 373.500 4.086 20 30 FIEDMN CN1CCC[C@H](NCc2cc(C#N)ccc2Br)c2ccccc21 ZINC000451878792 1125208614 /nfs/dbraw/zinc/20/86/14/1125208614.db2.gz OINHCMMTUKPRHB-SFHVURJKSA-N 0 1 370.294 4.382 20 30 FIEDMN COc1ccc(Br)cc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618741165 1125258695 /nfs/dbraw/zinc/25/86/95/1125258695.db2.gz CVTDWIPTPXRNLC-QGZVFWFLSA-N 0 1 357.251 4.106 20 30 FIEDMN COc1ccc(Br)c(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742681 1125259147 /nfs/dbraw/zinc/25/91/47/1125259147.db2.gz OZALASHUDWVBCR-SFHVURJKSA-N 0 1 357.251 4.106 20 30 FIEDMN Cn1c(CN[C@H]2CCc3cc(C#N)ccc32)nc2cc(C(F)(F)F)ccc21 ZINC000618742670 1125260105 /nfs/dbraw/zinc/26/01/05/1125260105.db2.gz OUNYQVOMZINJJN-INIZCTEOSA-N 0 1 370.378 4.241 20 30 FIEDMN Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618743090 1125261042 /nfs/dbraw/zinc/26/10/42/1125261042.db2.gz WEVMEQSKPFQXBS-NRFANRHFSA-N 0 1 362.864 4.483 20 30 FIEDMN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000618762852 1125273175 /nfs/dbraw/zinc/27/31/75/1125273175.db2.gz PWFDLZITRYXTJR-AWEZNQCLSA-N 0 1 367.359 4.181 20 30 FIEDMN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000568517631 568045802 /nfs/dbraw/zinc/04/58/02/568045802.db2.gz TXVOACXCLICRMC-KUHUBIRLSA-N 0 1 351.406 4.058 20 30 FIEDMN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)c(F)c1 ZINC000541882235 568058665 /nfs/dbraw/zinc/05/86/65/568058665.db2.gz SSRCOXJAOTXWHD-DJJJIMSYSA-N 0 1 371.843 4.197 20 30 FIEDMN N#CC(C(=O)c1cccc(-n2cccn2)c1)c1nc2cc(F)ccc2s1 ZINC000604929516 568397946 /nfs/dbraw/zinc/39/79/46/568397946.db2.gz ARKFVRPMEFLGTM-HNNXBMFYSA-N 0 1 362.389 4.111 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(C#N)c(F)c3)[nH]c2c1 ZINC000569513694 568404278 /nfs/dbraw/zinc/40/42/78/568404278.db2.gz NMNLDRWTTDCEKF-SFHVURJKSA-N 0 1 363.396 4.251 20 30 FIEDMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000570525443 568484269 /nfs/dbraw/zinc/48/42/69/568484269.db2.gz NLNUQRSOEAEZBI-GOSISDBHSA-N 0 1 359.477 4.263 20 30 FIEDMN N#Cc1ccc(CNCc2ccc3c(c2)OCCCO3)c(C(F)(F)F)c1 ZINC000570861659 568556204 /nfs/dbraw/zinc/55/62/04/568556204.db2.gz JBWJBWXBVUGXCD-UHFFFAOYSA-N 0 1 362.351 4.028 20 30 FIEDMN CC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 ZINC000182874176 1125659213 /nfs/dbraw/zinc/65/92/13/1125659213.db2.gz IWXGPLXBPFKOKE-CQSZACIVSA-N 0 1 353.328 4.124 20 30 FIEDMN CC(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1 ZINC000182874176 1125659215 /nfs/dbraw/zinc/65/92/15/1125659215.db2.gz IWXGPLXBPFKOKE-CQSZACIVSA-N 0 1 353.328 4.124 20 30 FIEDMN Cc1cc(C#N)ccc1CN[C@@H]1CCOc2c(Br)cccc21 ZINC000619722793 1125670009 /nfs/dbraw/zinc/67/00/09/1125670009.db2.gz YMHPJNSEPVAYKA-QGZVFWFLSA-N 0 1 357.251 4.243 20 30 FIEDMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1CCC(=O)Nc1sccc1C#N ZINC000535792207 1079575847 /nfs/dbraw/zinc/57/58/47/1079575847.db2.gz OTRSSVZWTSEZJS-OLZOCXBDSA-N 0 1 357.454 4.095 20 30 FIEDMN C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C#N ZINC000043302880 1079950893 /nfs/dbraw/zinc/95/08/93/1079950893.db2.gz HORPNBOTJMCSTG-STQMWFEESA-N 0 1 361.367 4.255 20 30 FIEDMN N#CC(C(=O)c1sc2ccccc2c1Cl)c1nnc2n1CCCCC2 ZINC000120610950 1080318887 /nfs/dbraw/zinc/31/88/87/1080318887.db2.gz ODXHWPDFCNUCNF-GFCCVEGCSA-N 0 1 370.865 4.363 20 30 FIEDMN C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)CC(=O)N2C ZINC000728226083 1080578326 /nfs/dbraw/zinc/57/83/26/1080578326.db2.gz HJFAIRCVSGQSDB-LUKZVCJISA-N 0 1 363.244 4.398 20 30 FIEDMN N#CC(C(=O)c1ccc2ncccc2c1)c1nc(-c2ccncc2)cs1 ZINC000120059867 1080891249 /nfs/dbraw/zinc/89/12/49/1080891249.db2.gz NMPPAUNDMLRWRP-MRXNPFEDSA-N 0 1 356.410 4.243 20 30 FIEDMN N#Cc1ccc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)s1 ZINC000176951749 1081170986 /nfs/dbraw/zinc/17/09/86/1081170986.db2.gz UFDMEIHCOCNDLV-UHFFFAOYSA-N 0 1 365.433 4.301 20 30 FIEDMN Cc1ccccc1C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000063497504 1081367863 /nfs/dbraw/zinc/36/78/63/1081367863.db2.gz KCFTXXJKIHDSSP-UHFFFAOYSA-N 0 1 357.211 4.179 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000610343956 1081498807 /nfs/dbraw/zinc/49/88/07/1081498807.db2.gz WZIYTZSRDHKNBE-OLZOCXBDSA-N 0 1 361.367 4.255 20 30 FIEDMN N#CC[C@H](C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccccc1 ZINC001125450783 1081966780 /nfs/dbraw/zinc/96/67/80/1081966780.db2.gz OVVVXWZHNZUJLL-QFBILLFUSA-N 0 1 360.417 4.050 20 30 FIEDMN CC(C)(CC#N)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000580725205 1082103137 /nfs/dbraw/zinc/10/31/37/1082103137.db2.gz PRMUGLRFOKJTTB-UHFFFAOYSA-N 0 1 351.273 4.266 20 30 FIEDMN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1c(F)cccc1Cl)C2 ZINC001203400260 1082135107 /nfs/dbraw/zinc/13/51/07/1082135107.db2.gz VWWJHICIAWEPKX-OALUTQOASA-N 0 1 353.865 4.053 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(F)c(Br)c1 ZINC000177856631 1082228470 /nfs/dbraw/zinc/22/84/70/1082228470.db2.gz BNKGDYSBKUDJIL-SNVBAGLBSA-N 0 1 351.194 4.450 20 30 FIEDMN CC(C)c1ccccc1NC(=O)C[C@@H](C)NCc1ccc(C#N)cc1F ZINC000177857259 1082230623 /nfs/dbraw/zinc/23/06/23/1082230623.db2.gz HNHOTKIDFRQXFI-OAHLLOKOSA-N 0 1 353.441 4.328 20 30 FIEDMN Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000126594530 1082676103 /nfs/dbraw/zinc/67/61/03/1082676103.db2.gz VXQXUDDKRYROIU-SFHVURJKSA-N 0 1 372.432 4.021 20 30 FIEDMN Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000126594530 1082676106 /nfs/dbraw/zinc/67/61/06/1082676106.db2.gz VXQXUDDKRYROIU-SFHVURJKSA-N 0 1 372.432 4.021 20 30 FIEDMN CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(Cl)c(Cl)c1O ZINC000754711549 1082707406 /nfs/dbraw/zinc/70/74/06/1082707406.db2.gz ZGSQZOAZGZQYJA-UHFFFAOYSA-N 0 1 365.142 4.344 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](c1ccccn1)C1CCC1 ZINC000625785701 1082789647 /nfs/dbraw/zinc/78/96/47/1082789647.db2.gz RANYEVNHJOYLLT-OXJNMPFZSA-N 0 1 369.534 4.177 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H](CC#N)c3ccccc3)[nH]c2c1 ZINC001125541817 1082997622 /nfs/dbraw/zinc/99/76/22/1082997622.db2.gz UBJPKVZQFLVTHE-YLJYHZDGSA-N 0 1 358.445 4.232 20 30 FIEDMN CN(C)[C@@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)c1cccs1 ZINC000430936055 1083242669 /nfs/dbraw/zinc/24/26/69/1083242669.db2.gz WQKLEBCJPFIWAL-MSOLQXFVSA-N 0 1 370.522 4.085 20 30 FIEDMN CN(C)[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccs1 ZINC000430936058 1083242678 /nfs/dbraw/zinc/24/26/78/1083242678.db2.gz WQKLEBCJPFIWAL-ZWKOTPCHSA-N 0 1 370.522 4.085 20 30 FIEDMN N#C[C@@H](C(=O)c1cc(F)cc(Br)c1)c1nc(C2CC2)cs1 ZINC000647375811 1083366888 /nfs/dbraw/zinc/36/68/88/1083366888.db2.gz GCARVXWSGBEQNH-LBPRGKRZSA-N 0 1 365.227 4.412 20 30 FIEDMN N#CC(C(=O)c1cc(F)cc(Br)c1)c1nc(C2CC2)cs1 ZINC000647375811 1083366901 /nfs/dbraw/zinc/36/69/01/1083366901.db2.gz GCARVXWSGBEQNH-LBPRGKRZSA-N 0 1 365.227 4.412 20 30 FIEDMN N#CC(C(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1nc(C2CC2)cs1 ZINC000647377703 1083374129 /nfs/dbraw/zinc/37/41/29/1083374129.db2.gz FHFBPFAUVVQDBW-SNVBAGLBSA-N 0 1 358.373 4.324 20 30 FIEDMN N#Cc1ccc(CN2CCC3(CC2)OCc2ccccc23)c(OC(F)F)c1 ZINC000610738617 1083393585 /nfs/dbraw/zinc/39/35/85/1083393585.db2.gz LTYBPDKXWHGFOV-UHFFFAOYSA-N 0 1 370.399 4.181 20 30 FIEDMN CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000247535662 1083456404 /nfs/dbraw/zinc/45/64/04/1083456404.db2.gz OQCJGGRKKLIZIA-ZWKOTPCHSA-N 0 1 368.481 4.024 20 30 FIEDMN CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000179527254 1083554862 /nfs/dbraw/zinc/55/48/62/1083554862.db2.gz KXKZPNUTPJJIKJ-AWEZNQCLSA-N 0 1 371.868 4.288 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179690895 1083598811 /nfs/dbraw/zinc/59/88/11/1083598811.db2.gz MAZHOUPAXIMYCV-KRWDZBQOSA-N 0 1 373.456 4.392 20 30 FIEDMN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)s1 ZINC000535848753 1083791131 /nfs/dbraw/zinc/79/11/31/1083791131.db2.gz VMJANHZBCXATNL-IERDGZPVSA-N 0 1 368.550 4.056 20 30 FIEDMN COc1ccc(CN=Nc2ccc(Br)cc2F)c(OC)c1 ZINC000728433264 1084078278 /nfs/dbraw/zinc/07/82/78/1084078278.db2.gz ZYRAANVRWMVVLU-UHFFFAOYSA-N 0 1 353.191 4.051 20 30 FIEDMN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1SCCC#N ZINC000609379918 1084125548 /nfs/dbraw/zinc/12/55/48/1084125548.db2.gz WUYYXMUOVHCRHB-UHFFFAOYSA-N 0 1 366.895 4.455 20 30 FIEDMN COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC(C#N)CC2)c1 ZINC000123686351 1084152862 /nfs/dbraw/zinc/15/28/62/1084152862.db2.gz KFKQEFPMFWRHHM-UHFFFAOYSA-N 0 1 352.482 4.049 20 30 FIEDMN C=CCN(CCc1ccccc1)C(=O)c1ccc(CN2CCCCC2)o1 ZINC001125571335 1084300732 /nfs/dbraw/zinc/30/07/32/1084300732.db2.gz JCGSWBBJDGMPEO-UHFFFAOYSA-N 0 1 352.478 4.136 20 30 FIEDMN CC(C)c1csc([C@H](C#N)C(=O)c2cc(Cl)nc(N3CCCC3)c2)n1 ZINC000177774614 1084316118 /nfs/dbraw/zinc/31/61/18/1084316118.db2.gz YNUBDCMRYPHAJI-CYBMUJFWSA-N 0 1 374.897 4.405 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cc(Cl)nc(N3CCCC3)c2)n1 ZINC000177774614 1084316128 /nfs/dbraw/zinc/31/61/28/1084316128.db2.gz YNUBDCMRYPHAJI-CYBMUJFWSA-N 0 1 374.897 4.405 20 30 FIEDMN N#Cc1csc(CN2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000580705881 1084462554 /nfs/dbraw/zinc/46/25/54/1084462554.db2.gz AJQYOQPXDZEKDK-OAHLLOKOSA-N 0 1 357.870 4.272 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000581441337 1084549017 /nfs/dbraw/zinc/54/90/17/1084549017.db2.gz FTLQZZXVBMNFLB-KRWDZBQOSA-N 0 1 368.399 4.000 20 30 FIEDMN COc1cc(OC)cc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000119973119 1084752282 /nfs/dbraw/zinc/75/22/82/1084752282.db2.gz NZBXFSMYRWDNQW-AWEZNQCLSA-N 0 1 372.833 4.457 20 30 FIEDMN N#CC(C(=O)C=Cc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)cs1 ZINC000255904387 1085044996 /nfs/dbraw/zinc/04/49/96/1085044996.db2.gz VSWKRHYNFPXYQR-QKIRZYONSA-N 0 1 374.421 4.428 20 30 FIEDMN C=C(C)[C@H](NCCCS(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187763733 1085103747 /nfs/dbraw/zinc/10/37/47/1085103747.db2.gz LIDYTRIKJGBQCA-IBGZPJMESA-N 0 1 365.445 4.036 20 30 FIEDMN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cnn(CC2CCC2)c1 ZINC000934561386 1085276061 /nfs/dbraw/zinc/27/60/61/1085276061.db2.gz KDOMCLAWRHDRBP-ZDUSSCGKSA-N 0 1 362.399 4.424 20 30 FIEDMN N#CC(C(=O)Cc1ccc(F)c(F)c1)c1nc2ccccc2n1C(F)F ZINC000176726107 1085369775 /nfs/dbraw/zinc/36/97/75/1085369775.db2.gz RUJUHRQIYUNBAB-NSHDSACASA-N 0 1 361.298 4.129 20 30 FIEDMN CC(C)(C)c1ccc2c(c1)CN(CCC(=O)Nc1sccc1C#N)CC2 ZINC000511187026 1085456804 /nfs/dbraw/zinc/45/68/04/1085456804.db2.gz SBEGOFYXINGKNU-UHFFFAOYSA-N 0 1 367.518 4.304 20 30 FIEDMN C=CC[C@H]1CCCN(Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)C1 ZINC000661376706 1085537585 /nfs/dbraw/zinc/53/75/85/1085537585.db2.gz FWBNAKFVGUCLTB-INIZCTEOSA-N 0 1 364.449 4.488 20 30 FIEDMN Cc1cccc(C(=O)C(C#N)c2ccccn2)c1NC(=O)c1ccccc1F ZINC000125482429 1085615679 /nfs/dbraw/zinc/61/56/79/1085615679.db2.gz SEXRXMXPQNEVCT-KRWDZBQOSA-N 0 1 373.387 4.272 20 30 FIEDMN Cc1c([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cnn1C ZINC000066905281 1085763015 /nfs/dbraw/zinc/76/30/15/1085763015.db2.gz DLVSERLJUNNOPL-INIZCTEOSA-N 0 1 360.461 4.030 20 30 FIEDMN N#Cc1cccc(CNCc2cc(Cl)ccc2OCc2cccnc2)c1 ZINC000066971954 1086607653 /nfs/dbraw/zinc/60/76/53/1086607653.db2.gz MXZZERZASSOXPU-UHFFFAOYSA-N 0 1 363.848 4.475 20 30 FIEDMN N#C[C@@H](c1ccc(Cl)cc1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000585717264 1086669267 /nfs/dbraw/zinc/66/92/67/1086669267.db2.gz HMDDEQDOFPJXNO-FQEVSTJZSA-N 0 1 357.860 4.252 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN(C)C(C)(C)c2ccccc2)c1C ZINC000585754381 1086685456 /nfs/dbraw/zinc/68/54/56/1086685456.db2.gz KYFLASQBEPGBSE-UHFFFAOYSA-N 0 1 363.505 4.417 20 30 FIEDMN N#Cc1cc(F)ccc1CN(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000728569601 1086796578 /nfs/dbraw/zinc/79/65/78/1086796578.db2.gz OCGXXEUQUMMNJW-UHFFFAOYSA-N 0 1 352.409 4.371 20 30 FIEDMN COc1cc(OC)c(NC(=O)CN2CCC[C@H](C3CC3)C2)cc1Cl ZINC000329509707 1086998515 /nfs/dbraw/zinc/99/85/15/1086998515.db2.gz BGVNBHLTKAPGIA-ZDUSSCGKSA-N 0 1 352.862 4.067 20 30 FIEDMN Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCCC3(CCOCC3)C2)c(C)c1 ZINC000329627566 1087112435 /nfs/dbraw/zinc/11/24/35/1087112435.db2.gz UHXJRQJCWGPYDT-KRWDZBQOSA-N 0 1 373.497 4.087 20 30 FIEDMN N#CCCC1CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)CC1 ZINC000584055327 1087145511 /nfs/dbraw/zinc/14/55/11/1087145511.db2.gz YTZHBBXYFARDCT-UHFFFAOYSA-N 0 1 364.474 4.447 20 30 FIEDMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2ccc(-n3cccc3)cc2)n1 ZINC000052779060 1087151129 /nfs/dbraw/zinc/15/11/29/1087151129.db2.gz BNJQICCCGIFMGO-UHFFFAOYSA-N 0 1 373.416 4.102 20 30 FIEDMN N#CCCn1cc(/C=C\C(=O)c2ccc(O)c(F)c2)c(-c2ccccc2)n1 ZINC000588610475 1087464606 /nfs/dbraw/zinc/46/46/06/1087464606.db2.gz OQLDIKMQGTZVBW-HJWRWDBZSA-N 0 1 361.376 4.205 20 30 FIEDMN N#CC(C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc(C2CC2)cs1 ZINC000647376817 1087798870 /nfs/dbraw/zinc/79/88/70/1087798870.db2.gz ZVWIODPIFNTRNC-IRXDYDNUSA-N 0 1 368.458 4.068 20 30 FIEDMN CON=Cc1ccc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000255919781 1088035803 /nfs/dbraw/zinc/03/58/03/1088035803.db2.gz UKKARFGIIATCJF-QGZVFWFLSA-N 0 1 361.426 4.280 20 30 FIEDMN C=CCCc1ccccc1NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000505024551 1088059894 /nfs/dbraw/zinc/05/98/94/1088059894.db2.gz UZKIPIURXXBEQX-FQEVSTJZSA-N 0 1 355.457 4.369 20 30 FIEDMN CC(C)c1nnc(-c2ccccc2NC(=O)CCc2ccc(C#N)cc2)[nH]1 ZINC000376482451 1088062192 /nfs/dbraw/zinc/06/21/92/1088062192.db2.gz ZTOGUGAPRKSVTL-UHFFFAOYSA-N 0 1 359.433 4.038 20 30 FIEDMN CC(C)Oc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1C#N ZINC000188821549 1088190518 /nfs/dbraw/zinc/19/05/18/1088190518.db2.gz BZQYXKPRFMRXRL-UHFFFAOYSA-N 0 1 352.419 4.049 20 30 FIEDMN N#Cc1ccc(CN2CC[C@H](Nc3ccccc3)C2)c(Br)c1 ZINC000181167548 1088263567 /nfs/dbraw/zinc/26/35/67/1088263567.db2.gz QUKBIODJBRFEIP-KRWDZBQOSA-N 0 1 356.267 4.007 20 30 FIEDMN CCCCOc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1Cl ZINC000189086840 1088406445 /nfs/dbraw/zinc/40/64/45/1088406445.db2.gz RXOLZUROLWBZCU-UHFFFAOYSA-N 0 1 368.868 4.328 20 30 FIEDMN N#Cc1cc(Br)ccc1CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000376557895 1088424128 /nfs/dbraw/zinc/42/41/28/1088424128.db2.gz LPRQISBDOUODLV-VQIMIIECSA-N 0 1 371.278 4.188 20 30 FIEDMN CC(C)c1cc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)n[nH]1 ZINC000425086438 1088664207 /nfs/dbraw/zinc/66/42/07/1088664207.db2.gz NJXDJAVKAPEUDY-LBPRGKRZSA-N 0 1 364.371 4.106 20 30 FIEDMN Cc1nc(NC(=O)C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc1C ZINC000505433258 1088775302 /nfs/dbraw/zinc/77/53/02/1088775302.db2.gz OAEOEHHLOPWZRK-CYBMUJFWSA-N 0 1 372.837 4.314 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1O ZINC000190036562 1088887309 /nfs/dbraw/zinc/88/73/09/1088887309.db2.gz FDHIWNTYBUARKD-UHFFFAOYSA-N 0 1 354.369 4.059 20 30 FIEDMN Cc1ccc([C@]2(C)CCN(Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc1 ZINC000434741824 1089010524 /nfs/dbraw/zinc/01/05/24/1089010524.db2.gz JIGFYYKVHBQVEP-JOCHJYFZSA-N 0 1 358.445 4.080 20 30 FIEDMN FC(F)C(F)(F)COCCNCc1cc(C(F)(F)F)ccc1Cl ZINC000434788265 1089042287 /nfs/dbraw/zinc/04/22/87/1089042287.db2.gz TWEJIXCLDAXDCG-UHFFFAOYSA-N 0 1 367.692 4.365 20 30 FIEDMN C=CCc1cc(CN[C@H]2CC(C)(C)Oc3ccc(N)cc32)cc(OC)c1O ZINC000415039796 1089076677 /nfs/dbraw/zinc/07/66/77/1089076677.db2.gz RHUIJXULLSHUKX-SFHVURJKSA-N 0 1 368.477 4.104 20 30 FIEDMN C=CCN(Cc1cccs1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000514715222 1089407819 /nfs/dbraw/zinc/40/78/19/1089407819.db2.gz WBBWBPVJZINLQT-LJQANCHMSA-N 0 1 353.487 4.329 20 30 FIEDMN CCN(CC)[C@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)c1ccccc1 ZINC000505637797 1089460831 /nfs/dbraw/zinc/46/08/31/1089460831.db2.gz SDWCUSLHBQSBKW-OALUTQOASA-N 0 1 355.869 4.104 20 30 FIEDMN CCOc1c(OC)cc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000425364938 1089590931 /nfs/dbraw/zinc/59/09/31/1089590931.db2.gz HXROWAQSMDWSPP-OAHLLOKOSA-N 0 1 354.450 4.167 20 30 FIEDMN N#C[C@H](C(=O)C[C@@H]1CCC2(CCC2)CO1)c1cc(C(F)(F)F)ccn1 ZINC000893063818 1089777138 /nfs/dbraw/zinc/77/71/38/1089777138.db2.gz YCSGWKSAODQQBB-KBPBESRZSA-N 0 1 352.356 4.016 20 30 FIEDMN CCCCn1ncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000435743159 1089919538 /nfs/dbraw/zinc/91/95/38/1089919538.db2.gz ZBTDBQXHWBNODV-ZDUSSCGKSA-N 0 1 371.391 4.227 20 30 FIEDMN CC(=O)Nc1ccc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041535997 1090238945 /nfs/dbraw/zinc/23/89/45/1090238945.db2.gz KNXZORYAWISFTB-QGZVFWFLSA-N 0 1 361.426 4.259 20 30 FIEDMN CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041535997 1090238949 /nfs/dbraw/zinc/23/89/49/1090238949.db2.gz KNXZORYAWISFTB-QGZVFWFLSA-N 0 1 361.426 4.259 20 30 FIEDMN N#Cc1ccccc1NC(=O)CCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000432029853 1091554937 /nfs/dbraw/zinc/55/49/37/1091554937.db2.gz DRJAFYXXICGQQY-FQEVSTJZSA-N 0 1 369.415 4.392 20 30 FIEDMN N#Cc1ccccc1Cn1cccc1CNc1nccn1-c1ccccc1 ZINC000438928397 1092583078 /nfs/dbraw/zinc/58/30/78/1092583078.db2.gz IJPVNBQBYJKMLD-UHFFFAOYSA-N 0 1 353.429 4.206 20 30 FIEDMN C=CCOc1ccc(CNCc2cc(Br)c(OC)s2)cc1 ZINC000512496524 1092586416 /nfs/dbraw/zinc/58/64/16/1092586416.db2.gz LQJPKMRCQNCWMK-UHFFFAOYSA-N 0 1 368.296 4.374 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(Br)cn1)c1ccc(OCC#N)cc1 ZINC000279930517 1092651939 /nfs/dbraw/zinc/65/19/39/1092651939.db2.gz AQPBDLQSLOGSAW-OLZOCXBDSA-N 0 1 360.255 4.158 20 30 FIEDMN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000549746691 1092740326 /nfs/dbraw/zinc/74/03/26/1092740326.db2.gz JYAQNWFGMMNLJF-GXTWGEPZSA-N 0 1 354.281 4.336 20 30 FIEDMN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000549746694 1092741104 /nfs/dbraw/zinc/74/11/04/1092741104.db2.gz JYAQNWFGMMNLJF-TZMCWYRMSA-N 0 1 354.281 4.336 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc(-n2cccn2)c(F)c1 ZINC000549830110 1092856684 /nfs/dbraw/zinc/85/66/84/1092856684.db2.gz OBJDMLBDQUVUBC-CYBMUJFWSA-N 0 1 354.816 4.387 20 30 FIEDMN Cc1csc(Nc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2)n1 ZINC000442969894 1092898711 /nfs/dbraw/zinc/89/87/11/1092898711.db2.gz SKCHEDRNHOLHTJ-UHFFFAOYSA-N 0 1 350.403 4.025 20 30 FIEDMN CCCCn1ccnc1-c1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000443077399 1092936181 /nfs/dbraw/zinc/93/61/81/1092936181.db2.gz UPKVQBBWHQEJJP-UHFFFAOYSA-N 0 1 360.417 4.180 20 30 FIEDMN CC(C)(C#N)c1ccc(CN2CCCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000614159940 1093013645 /nfs/dbraw/zinc/01/36/45/1093013645.db2.gz ZDDPVRRLSFDKSL-UHFFFAOYSA-N 0 1 367.537 4.102 20 30 FIEDMN Cn1c(CN[C@H]2CCCc3cc(C#N)ccc32)nc2cccc(Cl)c21 ZINC000614159933 1093014631 /nfs/dbraw/zinc/01/46/31/1093014631.db2.gz BLESKQDDCMHHAA-KRWDZBQOSA-N 0 1 350.853 4.266 20 30 FIEDMN CC(C)(C#N)c1ccc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000614182379 1093083886 /nfs/dbraw/zinc/08/38/86/1093083886.db2.gz NKIPAOPYMDVVJL-SFHVURJKSA-N 0 1 362.395 4.330 20 30 FIEDMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)c3ccc(C#N)cc3F)ccc2NC1=O ZINC000512660669 1093099448 /nfs/dbraw/zinc/09/94/48/1093099448.db2.gz OIYDQQIYHKBMFM-JMERFSKESA-N 0 1 367.424 4.219 20 30 FIEDMN C[C@H](NCc1ccc(N2CCCCCC2)nc1)c1ccc(C#N)cc1F ZINC000512673478 1093120015 /nfs/dbraw/zinc/12/00/15/1093120015.db2.gz QXXXQTFHPAYBKJ-INIZCTEOSA-N 0 1 352.457 4.324 20 30 FIEDMN C[C@H](N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cccc(C#N)c1 ZINC000184999546 1093207451 /nfs/dbraw/zinc/20/74/51/1093207451.db2.gz FDRWDPMRSIUPJW-GUYCJALGSA-N 0 1 373.378 4.033 20 30 FIEDMN CCn1c(C)cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c1C ZINC000114620568 1093659765 /nfs/dbraw/zinc/65/97/65/1093659765.db2.gz KUHOAEIKZMOKDG-MRXNPFEDSA-N 0 1 350.447 4.133 20 30 FIEDMN Cc1cc(OC(F)F)c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)s1 ZINC000513019039 1093667090 /nfs/dbraw/zinc/66/70/90/1093667090.db2.gz XUMXHTNSNIJXAA-SNVBAGLBSA-N 0 1 361.373 4.035 20 30 FIEDMN Cc1cc(OC(F)F)c(C(=O)C(C#N)c2nc3ccccc3n2C)s1 ZINC000513019039 1093667093 /nfs/dbraw/zinc/66/70/93/1093667093.db2.gz XUMXHTNSNIJXAA-SNVBAGLBSA-N 0 1 361.373 4.035 20 30 FIEDMN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474431227 1093777641 /nfs/dbraw/zinc/77/76/41/1093777641.db2.gz GVBWQNDLOPJJBN-KRWDZBQOSA-N 0 1 362.788 4.098 20 30 FIEDMN N#Cc1cccc(OCCCCC(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000474437367 1093784880 /nfs/dbraw/zinc/78/48/80/1093784880.db2.gz WESLXPHUGPVGJW-UHFFFAOYSA-N 0 1 362.788 4.244 20 30 FIEDMN CC(C)(CCC#N)CNC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000513141598 1093895464 /nfs/dbraw/zinc/89/54/64/1093895464.db2.gz SIRVLGTWDMFXIW-INIZCTEOSA-N 0 1 373.888 4.393 20 30 FIEDMN N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000513168101 1093978929 /nfs/dbraw/zinc/97/89/29/1093978929.db2.gz XMZHKQKFXRJFIH-IBGZPJMESA-N 0 1 370.840 4.369 20 30 FIEDMN CC[C@@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1cccc(Cl)c1 ZINC000182602056 1094147050 /nfs/dbraw/zinc/14/70/50/1094147050.db2.gz BGMOXFKLRROXKB-SJKOYZFVSA-N 0 1 359.857 4.489 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cc(C)n1 ZINC000501331915 1094640376 /nfs/dbraw/zinc/64/03/76/1094640376.db2.gz WFRTVEUXGXSNJP-LBPRGKRZSA-N 0 1 357.822 4.152 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)n1 ZINC000041517445 1094641963 /nfs/dbraw/zinc/64/19/63/1094641963.db2.gz YQACIMPELCPIQW-HNNXBMFYSA-N 0 1 374.425 4.387 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)n1 ZINC000041517445 1094641981 /nfs/dbraw/zinc/64/19/81/1094641981.db2.gz YQACIMPELCPIQW-HNNXBMFYSA-N 0 1 374.425 4.387 20 30 FIEDMN O=C(Nc1cc(Cl)ccc1OCC1CCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329111903 1094743587 /nfs/dbraw/zinc/74/35/87/1094743587.db2.gz RCKWTNCTFCRTKD-LBPRGKRZSA-N 0 1 360.845 4.030 20 30 FIEDMN O=C(Nc1cc(Cl)ccc1OCC1CCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329111903 1094743601 /nfs/dbraw/zinc/74/36/01/1094743601.db2.gz RCKWTNCTFCRTKD-LBPRGKRZSA-N 0 1 360.845 4.030 20 30 FIEDMN Cc1cc(C[C@H](C)NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)n[nH]1 ZINC000329480908 1094930481 /nfs/dbraw/zinc/93/04/81/1094930481.db2.gz RACHTCCIHWDYPG-YOEHRIQHSA-N 0 1 369.513 4.112 20 30 FIEDMN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H](C)c2c(C)cccc2C)C1 ZINC000329494827 1094937320 /nfs/dbraw/zinc/93/73/20/1094937320.db2.gz FMUJKCLILYTIRH-ZWKOTPCHSA-N 0 1 354.498 4.374 20 30 FIEDMN Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C3CCC(c4ccccc4)CC3)C2)c1 ZINC000329539185 1094958031 /nfs/dbraw/zinc/95/80/31/1094958031.db2.gz CHQZUICRSYJLGD-SOAGJPPSSA-N 0 1 352.482 4.079 20 30 FIEDMN C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCC[C@H]2c2ccccc2)C[C@H]1n1ccnc1 ZINC000329711383 1095198580 /nfs/dbraw/zinc/19/85/80/1095198580.db2.gz OMPZZDPNHDRVAB-GSEOLPGOSA-N 0 1 352.482 4.016 20 30 FIEDMN Cc1sc(NC(=O)CN[C@H](CC(F)F)c2ccccc2)c(C#N)c1C ZINC000420993024 1095229385 /nfs/dbraw/zinc/22/93/85/1095229385.db2.gz LPUSJPMHXUHKOT-OAHLLOKOSA-N 0 1 363.433 4.161 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCc2cn[nH]c2C1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000329869896 1095300237 /nfs/dbraw/zinc/30/02/37/1095300237.db2.gz ZMXJTISTMPXOCT-IEBWSBKVSA-N 0 1 372.900 4.452 20 30 FIEDMN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)C2)c1 ZINC000329931384 1095318856 /nfs/dbraw/zinc/31/88/56/1095318856.db2.gz BEEAIMUOUYKLCZ-MISYRCLQSA-N 0 1 370.472 4.218 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+][C@H](C)C2CCCC2)CC1 ZINC000329987956 1095338272 /nfs/dbraw/zinc/33/82/72/1095338272.db2.gz GQEXJZFNVLSIIE-OAHLLOKOSA-N 0 1 354.498 4.474 20 30 FIEDMN CC[C@@H]1CCC[C@H]1[NH+]=C([O-])N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000329986985 1095338518 /nfs/dbraw/zinc/33/85/18/1095338518.db2.gz FTOVEWHQECZMRP-SJLPKXTDSA-N 0 1 354.498 4.474 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+]C2Cc3ccccc3C2)CC1 ZINC000329990601 1095340089 /nfs/dbraw/zinc/34/00/89/1095340089.db2.gz JCDAAHNUOBVKSH-UHFFFAOYSA-N 0 1 374.488 4.063 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cc2sc(N3CCCC3)nc2s1 ZINC000330034123 1095358018 /nfs/dbraw/zinc/35/80/18/1095358018.db2.gz WDKKQJXHSYMDJB-NSHDSACASA-N 0 1 373.507 4.063 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC(=O)N(C)Cc1ccc(Cl)s1)CC2 ZINC000330039471 1095359649 /nfs/dbraw/zinc/35/96/49/1095359649.db2.gz BUVJKEJQAANNMA-CYBMUJFWSA-N 0 1 366.918 4.082 20 30 FIEDMN O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330093379 1095378504 /nfs/dbraw/zinc/37/85/04/1095378504.db2.gz ZSISHTZTWUADBO-SJORKVTESA-N 0 1 358.873 4.486 20 30 FIEDMN Cn1c(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc2cc(C(F)(F)F)ccc21 ZINC000330100225 1095379800 /nfs/dbraw/zinc/37/98/00/1095379800.db2.gz DSGAFZTZQVFHMT-CYBMUJFWSA-N 0 1 362.355 4.302 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000330152642 1095395999 /nfs/dbraw/zinc/39/59/99/1095395999.db2.gz MDTQQBMLZRYJIB-RRFJBIMHSA-N 0 1 360.255 4.310 20 30 FIEDMN O=C(NCC1(c2ccc(Cl)cc2)CCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000330153316 1095396142 /nfs/dbraw/zinc/39/61/42/1095396142.db2.gz XCXSXFPBDJYNDE-INIZCTEOSA-N 0 1 358.873 4.066 20 30 FIEDMN CC(C)Cn1ccc2cc(NC(=O)N[C@H]3CCCc4cn[nH]c43)ccc21 ZINC000330154090 1095397170 /nfs/dbraw/zinc/39/71/70/1095397170.db2.gz NFINMIXUSSBUJS-KRWDZBQOSA-N 0 1 351.454 4.424 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)N[C@@H]3CCCc4ccc(C)cc43)C2)n[nH]1 ZINC000330270301 1095442041 /nfs/dbraw/zinc/44/20/41/1095442041.db2.gz TXECSTCXPOEDCS-PKOBYXMFSA-N 0 1 352.482 4.198 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cccc2c1OCC2 ZINC000421248954 1095482819 /nfs/dbraw/zinc/48/28/19/1095482819.db2.gz LLPYFWQDMVDXQY-UHFFFAOYSA-N 0 1 357.475 4.274 20 30 FIEDMN C=CCCCc1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 ZINC000546486851 1095615506 /nfs/dbraw/zinc/61/55/06/1095615506.db2.gz ZYSZBOPHCCYUET-UHFFFAOYSA-N 0 1 360.889 4.041 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3csc(Cc4ccccc4)n3)[nH]c21 ZINC000522830811 1095752629 /nfs/dbraw/zinc/75/26/29/1095752629.db2.gz ZAIBXUIKPRLFAI-OAHLLOKOSA-N 0 1 372.453 4.409 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cnc4onc(C(C)(C)C)c4c3)[nH]c21 ZINC000522829556 1095756731 /nfs/dbraw/zinc/75/67/31/1095756731.db2.gz KFXVROBYVQZKDV-CQSZACIVSA-N 0 1 373.416 4.195 20 30 FIEDMN N#Cc1ccc(CN[C@@H]2CCCOc3cc(Br)ccc32)s1 ZINC000421879433 1095972674 /nfs/dbraw/zinc/97/26/74/1095972674.db2.gz NDKCBSJUXNZUIU-OAHLLOKOSA-N 0 1 363.280 4.386 20 30 FIEDMN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)CC(C)(C)CCC#N ZINC000503124630 1096077058 /nfs/dbraw/zinc/07/70/58/1096077058.db2.gz XQCQIEAITRUYJF-UHFFFAOYSA-N 0 1 370.324 4.261 20 30 FIEDMN C[C@H]1C[C@]1(NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 ZINC000503407851 1096388456 /nfs/dbraw/zinc/38/84/56/1096388456.db2.gz RFOPKICZLLJAPZ-HXPMCKFVSA-N 0 1 374.271 4.328 20 30 FIEDMN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1csc(Cl)c1 ZINC000469204812 1096391104 /nfs/dbraw/zinc/39/11/04/1096391104.db2.gz KLXMISZJJGDYIW-LRDDRELGSA-N 0 1 359.882 4.119 20 30 FIEDMN N#Cc1ccsc1NC(=O)CN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000503549911 1096467712 /nfs/dbraw/zinc/46/77/12/1096467712.db2.gz CHTGDXRJQICUMD-SFHVURJKSA-N 0 1 351.475 4.100 20 30 FIEDMN CC[C@H](N[C@H](Cn1ccccc1=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000503953828 1096610763 /nfs/dbraw/zinc/61/07/63/1096610763.db2.gz RHIFVFYMJSMBFJ-FCHUYYIVSA-N 0 1 357.457 4.202 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1C1CCC1 ZINC000532963755 1098632475 /nfs/dbraw/zinc/63/24/75/1098632475.db2.gz WMADLWMRVQINEL-CRAIPNDOSA-N 0 1 357.523 4.141 20 30 FIEDMN COc1cc(CN2CCSC[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000532968780 1098635305 /nfs/dbraw/zinc/63/53/05/1098635305.db2.gz OGRDXDLUTBWHRW-MRXNPFEDSA-N 0 1 368.502 4.083 20 30 FIEDMN C[C@H]1C[C@H](c2ccccc2)CN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000532976918 1098646225 /nfs/dbraw/zinc/64/62/25/1098646225.db2.gz RGLOKDGNOXWISF-YOEHRIQHSA-N 0 1 353.853 4.028 20 30 FIEDMN COc1ccc(-c2n[nH]c(SCCCCC(C)(C)C#N)n2)c(OC)c1 ZINC000436202898 1098812899 /nfs/dbraw/zinc/81/28/99/1098812899.db2.gz HAOWOYZUKKJBSY-UHFFFAOYSA-N 0 1 360.483 4.301 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1ccc(OCC)cc1 ZINC000533224794 1098891698 /nfs/dbraw/zinc/89/16/98/1098891698.db2.gz REVRDAMAXJCFRU-KRWDZBQOSA-N 0 1 372.534 4.182 20 30 FIEDMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H]1c1ccsc1 ZINC000533238688 1098909477 /nfs/dbraw/zinc/90/94/77/1098909477.db2.gz CBUGQGDQXIXMCX-URTYCYGZSA-N 0 1 359.539 4.204 20 30 FIEDMN CCN(CC)[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)c1ccccc1 ZINC000505796921 1098952337 /nfs/dbraw/zinc/95/23/37/1098952337.db2.gz RNNQMMHBTXJLLL-MOPGFXCFSA-N 0 1 355.869 4.104 20 30 FIEDMN N#Cc1cccc(OC2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)c1 ZINC000533424797 1099045365 /nfs/dbraw/zinc/04/53/65/1099045365.db2.gz GAFYGWWHRZJZAB-UHFFFAOYSA-N 0 1 370.456 4.059 20 30 FIEDMN N#Cc1cc(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)nc2ccccc12 ZINC000516534251 1099574853 /nfs/dbraw/zinc/57/48/53/1099574853.db2.gz HUVBUQVVDDSBKO-GFCCVEGCSA-N 0 1 371.366 4.232 20 30 FIEDMN Cc1ccc(C)c([C@H]2CN(CCCC3(C#N)CCOCC3)[C@@H](C)CO2)c1 ZINC000282055518 1099810275 /nfs/dbraw/zinc/81/02/75/1099810275.db2.gz RWVUONCDFQATSI-PZJWPPBQSA-N 0 1 356.510 4.166 20 30 FIEDMN Cc1ccc(C)c([C@H]2CN(CCCC3(C#N)CCOCC3)[C@H](C)CO2)c1 ZINC000282055524 1099811029 /nfs/dbraw/zinc/81/10/29/1099811029.db2.gz RWVUONCDFQATSI-TZIWHRDSSA-N 0 1 356.510 4.166 20 30 FIEDMN C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000437513344 1099963103 /nfs/dbraw/zinc/96/31/03/1099963103.db2.gz GPRQYUUMMGJZJJ-HNNXBMFYSA-N 0 1 362.433 4.058 20 30 FIEDMN C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000437513344 1099963107 /nfs/dbraw/zinc/96/31/07/1099963107.db2.gz GPRQYUUMMGJZJJ-HNNXBMFYSA-N 0 1 362.433 4.058 20 30 FIEDMN C[C@H](c1nc2ccccc2s1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000437641336 1100055097 /nfs/dbraw/zinc/05/50/97/1100055097.db2.gz PPVKPCFKBXLGRO-CQSZACIVSA-N 0 1 364.474 4.190 20 30 FIEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000533893286 1100114484 /nfs/dbraw/zinc/11/44/84/1100114484.db2.gz UOUOTEUWMQBHLR-UHFFFAOYSA-N 0 1 368.437 4.194 20 30 FIEDMN C=CCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536677181 1100168353 /nfs/dbraw/zinc/16/83/53/1100168353.db2.gz YFIDCFKYNAMPEN-RZQQEMMASA-N 0 1 363.465 4.128 20 30 FIEDMN COc1ccc([C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000536872762 1100391612 /nfs/dbraw/zinc/39/16/12/1100391612.db2.gz XDKYMBIVZRWXHW-AWEZNQCLSA-N 0 1 363.379 4.425 20 30 FIEDMN C=C(CC)CN[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000536881702 1100407964 /nfs/dbraw/zinc/40/79/64/1100407964.db2.gz MXFSTTUKPBPUQK-OAQYLSRUSA-N 0 1 357.519 4.298 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000517522153 1100451943 /nfs/dbraw/zinc/45/19/43/1100451943.db2.gz NVRPOQQMCLUKGQ-LBPRGKRZSA-N 0 1 352.419 4.316 20 30 FIEDMN CN(Cc1cccc(C#N)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438468954 1100681894 /nfs/dbraw/zinc/68/18/94/1100681894.db2.gz FGZPKEXNGRLFLB-QGZVFWFLSA-N 0 1 357.251 4.276 20 30 FIEDMN C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000517988542 1100844824 /nfs/dbraw/zinc/84/48/24/1100844824.db2.gz OYTUWKRPBHKBFL-ZDUSSCGKSA-N 0 1 353.397 4.289 20 30 FIEDMN N#CCCCOc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000518062242 1100894297 /nfs/dbraw/zinc/89/42/97/1100894297.db2.gz VBWMRYDUQSEYSS-UHFFFAOYSA-N 0 1 364.380 4.151 20 30 FIEDMN COc1ccc2[nH]cc(C3=CCN(CC#Cc4ccc(F)cc4)CC3)c2c1 ZINC000438762237 1100901517 /nfs/dbraw/zinc/90/15/17/1100901517.db2.gz VEVIQDCJPCVPHV-UHFFFAOYSA-N 0 1 360.432 4.456 20 30 FIEDMN COc1ccc(C#N)cc1CN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000438787261 1100917517 /nfs/dbraw/zinc/91/75/17/1100917517.db2.gz DSAWKRNADUUBGB-UHFFFAOYSA-N 0 1 361.420 4.477 20 30 FIEDMN N#Cc1ccc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(Cl)c1 ZINC000459673381 1101313153 /nfs/dbraw/zinc/31/31/53/1101313153.db2.gz YNYGRIBRRCFZFU-INIZCTEOSA-N 0 1 372.818 4.393 20 30 FIEDMN C=CCN1C(=O)N=NC1S[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000550015265 1101318095 /nfs/dbraw/zinc/31/80/95/1101318095.db2.gz VCPBJARDXMRMKL-OAHLLOKOSA-N 0 1 365.886 4.083 20 30 FIEDMN C[C@H]1C[C@@H](c2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000439316533 1101326671 /nfs/dbraw/zinc/32/66/71/1101326671.db2.gz LGFUGFGCXXIUBY-FPOVZHCZSA-N 0 1 361.489 4.201 20 30 FIEDMN C[C@@H]1C[C@H](c2ccccc2)CCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000439316535 1101327284 /nfs/dbraw/zinc/32/72/84/1101327284.db2.gz LGFUGFGCXXIUBY-TZIWHRDSSA-N 0 1 361.489 4.201 20 30 FIEDMN C=CCC(C)(C)CNCc1c(Br)cncc1Br ZINC000394524825 1101343941 /nfs/dbraw/zinc/34/39/41/1101343941.db2.gz CAQRHWQTUKQUPG-UHFFFAOYSA-N 0 1 362.109 4.299 20 30 FIEDMN C[C@H](N[C@@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1cccc(C#N)c1 ZINC000475704641 1101371208 /nfs/dbraw/zinc/37/12/08/1101371208.db2.gz HWIQDGAKQZXKAX-STQMWFEESA-N 0 1 351.381 4.121 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2oc(C3CC3)nc2C)cc1 ZINC000760185158 1101587758 /nfs/dbraw/zinc/58/77/58/1101587758.db2.gz YIAFOUQPPSGQJF-SJKOYZFVSA-N 0 1 365.433 4.335 20 30 FIEDMN Cc1cc([C@H]2CCCN(c3c(C#N)cnc4ccc(Cl)cc43)C2)[nH]n1 ZINC000518798394 1101593384 /nfs/dbraw/zinc/59/33/84/1101593384.db2.gz CSQMUGKPDXNTHN-ZDUSSCGKSA-N 0 1 351.841 4.175 20 30 FIEDMN CCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000439619667 1101599825 /nfs/dbraw/zinc/59/98/25/1101599825.db2.gz HKZGBUICHKIDCS-UHFFFAOYSA-N 0 1 370.261 4.098 20 30 FIEDMN COc1ccc(C#N)cc1CNC1(c2cccc(Br)c2)CCC1 ZINC000439726948 1101723425 /nfs/dbraw/zinc/72/34/25/1101723425.db2.gz HKZKARVWUXLVRV-UHFFFAOYSA-N 0 1 371.278 4.498 20 30 FIEDMN N#CC(C(=O)CC(Cc1ccccc1)Cc1ccccc1)c1ccncn1 ZINC000760332100 1101921744 /nfs/dbraw/zinc/92/17/44/1101921744.db2.gz FGAWWMUZUUYPSW-OAQYLSRUSA-N 0 1 355.441 4.145 20 30 FIEDMN N#CC(C(=O)CC(Cc1ccccc1)Cc1ccccc1)c1ccncn1 ZINC000760332097 1101921847 /nfs/dbraw/zinc/92/18/47/1101921847.db2.gz FGAWWMUZUUYPSW-NRFANRHFSA-N 0 1 355.441 4.145 20 30 FIEDMN N#CC(C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)c1ccncn1 ZINC000760346168 1101922513 /nfs/dbraw/zinc/92/25/13/1101922513.db2.gz PHEPQBXORCQWGL-NRFANRHFSA-N 0 1 353.425 4.247 20 30 FIEDMN N#CC(C(=O)CCSc1ccnc2cc(Cl)ccc21)c1ccncn1 ZINC000760341402 1101927270 /nfs/dbraw/zinc/92/72/70/1101927270.db2.gz REDDOAAHMUZYDE-AWEZNQCLSA-N 0 1 368.849 4.037 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000018015904 1101939248 /nfs/dbraw/zinc/93/92/48/1101939248.db2.gz GYAFNQNVJYGUHI-IBGZPJMESA-N 0 1 355.869 4.025 20 30 FIEDMN N#Cc1ccc(Oc2ccc(NC(=O)Cc3n[nH]c4ccccc43)cc2)cc1 ZINC000050613241 1101955302 /nfs/dbraw/zinc/95/53/02/1101955302.db2.gz KJVSEGRICHLUDW-UHFFFAOYSA-N 0 1 368.396 4.408 20 30 FIEDMN CC(C)(C)c1cc(CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000842016779 1102157373 /nfs/dbraw/zinc/15/73/73/1102157373.db2.gz DEGMFJWLTQHMRC-UHFFFAOYSA-N 0 1 372.425 4.031 20 30 FIEDMN Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc(C#N)cc2C)cs1 ZINC000475837432 1102163657 /nfs/dbraw/zinc/16/36/57/1102163657.db2.gz SKOGKISLPFQWOU-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3ccc(-c4ccncc4)cn3)CC2)c1 ZINC000894405602 1102257972 /nfs/dbraw/zinc/25/79/72/1102257972.db2.gz GMWHUGGNEWNDDP-UHFFFAOYSA-N 0 1 369.472 4.092 20 30 FIEDMN N#C[C@@H](C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1 ZINC000429672064 1102302592 /nfs/dbraw/zinc/30/25/92/1102302592.db2.gz BYGBGHBIGYQYTF-NSHDSACASA-N 0 1 362.336 4.042 20 30 FIEDMN N#CC(C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1 ZINC000429672064 1102302604 /nfs/dbraw/zinc/30/26/04/1102302604.db2.gz BYGBGHBIGYQYTF-NSHDSACASA-N 0 1 362.336 4.042 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2C(=O)c2cccs2)n1 ZINC000048787319 1102436524 /nfs/dbraw/zinc/43/65/24/1102436524.db2.gz KBEZBPNHZFIXKI-CQSZACIVSA-N 0 1 352.440 4.234 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2ccccc2C(=O)c2cccs2)n1 ZINC000048787319 1102436533 /nfs/dbraw/zinc/43/65/33/1102436533.db2.gz KBEZBPNHZFIXKI-CQSZACIVSA-N 0 1 352.440 4.234 20 30 FIEDMN C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cccc(C#N)c1 ZINC000473680333 1102514351 /nfs/dbraw/zinc/51/43/51/1102514351.db2.gz VKIPFPIDKONAHR-YVEFUNNKSA-N 0 1 374.271 4.321 20 30 FIEDMN Cc1cccc([C@@H]2CCC[N@H+]2CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000532648255 1102697109 /nfs/dbraw/zinc/69/71/09/1102697109.db2.gz IDWMTLMAAHQDFD-IBGZPJMESA-N 0 1 360.379 4.477 20 30 FIEDMN Cc1cccc([C@@H]2CCCN2CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000532648255 1102697118 /nfs/dbraw/zinc/69/71/18/1102697118.db2.gz IDWMTLMAAHQDFD-IBGZPJMESA-N 0 1 360.379 4.477 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cnn(-c3ccccc3Cl)c2C)n1 ZINC000112222379 1102819729 /nfs/dbraw/zinc/81/97/29/1102819729.db2.gz IYTAXLCWKWXHFJ-LBPRGKRZSA-N 0 1 356.838 4.089 20 30 FIEDMN CCOc1nc2cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)ccc2[nH]1 ZINC000459343824 1102869701 /nfs/dbraw/zinc/86/97/01/1102869701.db2.gz GMTORWJCJLFZAX-LBPRGKRZSA-N 0 1 368.462 4.206 20 30 FIEDMN CCOc1nc2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)ccc2[nH]1 ZINC000459343824 1102869712 /nfs/dbraw/zinc/86/97/12/1102869712.db2.gz GMTORWJCJLFZAX-LBPRGKRZSA-N 0 1 368.462 4.206 20 30 FIEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000057175607 1103008227 /nfs/dbraw/zinc/00/82/27/1103008227.db2.gz AGROFASBCMSONI-SFHVURJKSA-N 0 1 365.304 4.002 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(C)c(C)c2)no1 ZINC001211975604 1103132877 /nfs/dbraw/zinc/13/28/77/1103132877.db2.gz LYVWVEIJEWDOII-MOPGFXCFSA-N 0 1 357.498 4.432 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ncccc2C2CC2)no1 ZINC001211975867 1103136539 /nfs/dbraw/zinc/13/65/39/1103136539.db2.gz RPCHFLGEYIQPCH-AEFFLSMTSA-N 0 1 370.497 4.087 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cc(F)ccc2F)no1 ZINC001211975934 1103138193 /nfs/dbraw/zinc/13/81/93/1103138193.db2.gz UTWFMSNMXCPOSV-YOEHRIQHSA-N 0 1 365.424 4.093 20 30 FIEDMN C[C@H](NCc1ccc(Br)cc1F)c1ccc(OCC#N)cc1 ZINC000729685779 1103175202 /nfs/dbraw/zinc/17/52/02/1103175202.db2.gz HMWRUGSQIZLVBR-LBPRGKRZSA-N 0 1 363.230 4.341 20 30 FIEDMN C[C@H](C(=O)Nc1ccccc1C#N)N(C)CCc1cccc2ccccc21 ZINC000507315160 1103286861 /nfs/dbraw/zinc/28/68/61/1103286861.db2.gz FWUQQQSSRLDYEI-QGZVFWFLSA-N 0 1 357.457 4.213 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000507651572 1103575363 /nfs/dbraw/zinc/57/53/63/1103575363.db2.gz QGZGAIQIBKWKAK-OAHLLOKOSA-N 0 1 355.869 4.451 20 30 FIEDMN Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC(C)(C#N)CC1 ZINC000507704403 1103631967 /nfs/dbraw/zinc/63/19/67/1103631967.db2.gz CEEMRHXAHODPSK-UHFFFAOYSA-N 0 1 373.298 4.069 20 30 FIEDMN N#CCc1cccc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000440747065 1103925559 /nfs/dbraw/zinc/92/55/59/1103925559.db2.gz MGENWWFAEQWBMT-SFHVURJKSA-N 0 1 364.836 4.260 20 30 FIEDMN CC(C)Sc1ccc([C@H](C)NCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000538202908 1104015937 /nfs/dbraw/zinc/01/59/37/1104015937.db2.gz XQEBZHUHBWSPDH-INIZCTEOSA-N 0 1 367.518 4.026 20 30 FIEDMN CC(NCC(=O)Nc1ccc(C#N)cc1)(c1ccccc1)c1ccccc1 ZINC000538205770 1104018402 /nfs/dbraw/zinc/01/84/02/1104018402.db2.gz PZYNQLXZBQOUCP-UHFFFAOYSA-N 0 1 355.441 4.050 20 30 FIEDMN C[C@H](NCc1cccc(C#N)c1F)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000538197138 1104031560 /nfs/dbraw/zinc/03/15/60/1104031560.db2.gz CKVHVYKCJKQRQA-HNNXBMFYSA-N 0 1 374.419 4.195 20 30 FIEDMN CCn1nc(C)c(NC(=O)N2CCn3c(cc4c3cccc4Cl)C2)c1C ZINC000328612203 1104520814 /nfs/dbraw/zinc/52/08/14/1104520814.db2.gz PDLWKFWZUULNPQ-UHFFFAOYSA-N 0 1 371.872 4.189 20 30 FIEDMN Cc1cc([C@H]2CCCN(C([O-])=[NH+][C@@H]3C[C@H]3c3cccc(Cl)c3)C2)[nH]n1 ZINC000328667896 1104529236 /nfs/dbraw/zinc/52/92/36/1104529236.db2.gz DIICTIUUXKFYML-QILLFSRXSA-N 0 1 358.873 4.021 20 30 FIEDMN O=C(NC1CCN(Cc2ccccn2)CC1)c1coc(C2CCCCC2)n1 ZINC000328737707 1104546075 /nfs/dbraw/zinc/54/60/75/1104546075.db2.gz KKIVGZGRRLKFGK-UHFFFAOYSA-N 0 1 368.481 4.087 20 30 FIEDMN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000328812360 1104561754 /nfs/dbraw/zinc/56/17/54/1104561754.db2.gz MZKWLGOKSBUGPT-MEBBXXQBSA-N 0 1 367.280 4.229 20 30 FIEDMN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1C[C@H](OCC)C1(C)C ZINC000441435647 1104657672 /nfs/dbraw/zinc/65/76/72/1104657672.db2.gz FHIDUKJADUSJIG-ROUUACIJSA-N 0 1 368.481 4.024 20 30 FIEDMN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000331241774 1104711796 /nfs/dbraw/zinc/71/17/96/1104711796.db2.gz QJOSOQHCSKIOMO-ZYHUDNBSSA-N 0 1 373.280 4.087 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](CC2CC2)C1 ZINC000550409735 1104787717 /nfs/dbraw/zinc/78/77/17/1104787717.db2.gz XJEWZFRIGATMOU-DOTOQJQBSA-N 0 1 357.523 4.141 20 30 FIEDMN C=CCCO[C@H](C)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000520652299 1105082128 /nfs/dbraw/zinc/08/21/28/1105082128.db2.gz QRHAZEWMXJRNCT-CYBMUJFWSA-N 0 1 353.397 4.289 20 30 FIEDMN CC#CCCN1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190786602 1105155204 /nfs/dbraw/zinc/15/52/04/1105155204.db2.gz BNKOTSNWNBSREZ-OAHLLOKOSA-N 0 1 360.255 4.049 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)c2ccccc2C#N)c1 ZINC000508076970 1105321245 /nfs/dbraw/zinc/32/12/45/1105321245.db2.gz AQPAXEKHDOEVGQ-UHFFFAOYSA-N 0 1 369.468 4.467 20 30 FIEDMN N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2cccc3cc[nH]c32)CC1 ZINC000475343905 1106735758 /nfs/dbraw/zinc/73/57/58/1106735758.db2.gz USWDPWRCCCSPHJ-HXUWFJFHSA-N 0 1 364.880 4.204 20 30 FIEDMN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000451150781 1106949385 /nfs/dbraw/zinc/94/93/85/1106949385.db2.gz XPPXYPXYDLJGTO-YWPYICTPSA-N 0 1 364.371 4.160 20 30 FIEDMN N#Cc1cc(C(F)(F)F)ccc1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000530872128 1107377744 /nfs/dbraw/zinc/37/77/44/1107377744.db2.gz CWNZUERRISHFIQ-UHFFFAOYSA-N 0 1 361.302 4.113 20 30 FIEDMN N#Cc1cc(C(F)(F)F)ccc1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000530872128 1107377759 /nfs/dbraw/zinc/37/77/59/1107377759.db2.gz CWNZUERRISHFIQ-UHFFFAOYSA-N 0 1 361.302 4.113 20 30 FIEDMN N#Cc1cccc(CC(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c1 ZINC000531150267 1107581171 /nfs/dbraw/zinc/58/11/71/1107581171.db2.gz MXMVEBXLYWLIQU-UHFFFAOYSA-N 0 1 370.387 4.422 20 30 FIEDMN C=CCc1cc(CNc2ccc(CN(C)C)c(Cl)c2)cc(OC)c1O ZINC000475565643 1107751031 /nfs/dbraw/zinc/75/10/31/1107751031.db2.gz FFYWOYLCIQPGOT-UHFFFAOYSA-N 0 1 360.885 4.456 20 30 FIEDMN CC[C@H](C(=O)Nc1ccc(CC#N)cc1Cl)N(C)Cc1ccccc1 ZINC000452658947 1107878454 /nfs/dbraw/zinc/87/84/54/1107878454.db2.gz YAUSHGZMZJJRNF-LJQANCHMSA-N 0 1 355.869 4.255 20 30 FIEDMN C[C@@H](NCCOc1cccc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000444665924 1108067956 /nfs/dbraw/zinc/06/79/56/1108067956.db2.gz RGBYUISRGPTRMA-CYBMUJFWSA-N 0 1 356.376 4.033 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccc(C#N)cc1 ZINC000531695518 1108074030 /nfs/dbraw/zinc/07/40/30/1108074030.db2.gz IMPZPVTYIJAHIC-ZIAGYGMSSA-N 0 1 351.841 4.204 20 30 FIEDMN CC(C)[C@@H]1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000444752659 1108151505 /nfs/dbraw/zinc/15/15/05/1108151505.db2.gz GAOBDLVRAYFMDJ-DLBZAZTESA-N 0 1 359.539 4.387 20 30 FIEDMN N#Cc1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)s1 ZINC000440754607 1108773377 /nfs/dbraw/zinc/77/33/77/1108773377.db2.gz CDQVNNNJLKUADW-AWEZNQCLSA-N 0 1 356.838 4.127 20 30 FIEDMN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000445726930 1108966985 /nfs/dbraw/zinc/96/69/85/1108966985.db2.gz VFQYMSJXTVALCU-LPHOPBHVSA-N 0 1 361.873 4.109 20 30 FIEDMN CC(C)CN(Cc1cncn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000445799696 1108993622 /nfs/dbraw/zinc/99/36/22/1108993622.db2.gz PJQPYRSOKVPFJH-UHFFFAOYSA-N 0 1 358.489 4.461 20 30 FIEDMN N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000440910144 1109059171 /nfs/dbraw/zinc/05/91/71/1109059171.db2.gz PZPVBCUAMCHPRJ-QGZVFWFLSA-N 0 1 365.824 4.457 20 30 FIEDMN COc1cc(C#N)ccc1OCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000524619841 1109100054 /nfs/dbraw/zinc/10/00/54/1109100054.db2.gz LAYNNHLBTBSJFZ-BEFAXECRSA-N 0 1 366.461 4.327 20 30 FIEDMN COc1cc(C#N)ccc1OCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000524619844 1109100181 /nfs/dbraw/zinc/10/01/81/1109100181.db2.gz LAYNNHLBTBSJFZ-KXBFYZLASA-N 0 1 366.461 4.327 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000467510696 1109154556 /nfs/dbraw/zinc/15/45/56/1109154556.db2.gz MDTDFFBDODVWOT-INIZCTEOSA-N 0 1 370.518 4.172 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000524868443 1109185440 /nfs/dbraw/zinc/18/54/40/1109185440.db2.gz OZGOLCJNJKQQJD-UHFFFAOYSA-N 0 1 370.456 4.171 20 30 FIEDMN N#Cc1cccc(-c2nnc(CSc3nc4ccc(Cl)cc4[nH]3)o2)c1 ZINC000525623474 1109465744 /nfs/dbraw/zinc/46/57/44/1109465744.db2.gz GIFJMADRYYLEBI-UHFFFAOYSA-N 0 1 367.821 4.430 20 30 FIEDMN CC[C@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000447545352 1109574490 /nfs/dbraw/zinc/57/44/90/1109574490.db2.gz RHDFDVVHQIKQOP-KRWDZBQOSA-N 0 1 372.266 4.000 20 30 FIEDMN Cc1ccc(-c2cc(=NC(=O)c3ccccc3-c3ccccc3C#N)[nH][nH]2)o1 ZINC000447802362 1109644429 /nfs/dbraw/zinc/64/44/29/1109644429.db2.gz JZTLMSSQNUUQMG-UHFFFAOYSA-N 0 1 368.396 4.191 20 30 FIEDMN CCN([C@H](C)c1ccc(C#N)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447855815 1109660406 /nfs/dbraw/zinc/66/04/06/1109660406.db2.gz VBZPTSGMGFPEQW-VGOFRKELSA-N 0 1 372.472 4.008 20 30 FIEDMN CCC(C#N)(CC)C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000528935150 1110157076 /nfs/dbraw/zinc/15/70/76/1110157076.db2.gz QZOMGDJULKFPQR-HNNXBMFYSA-N 0 1 353.447 4.325 20 30 FIEDMN COc1ccc(C[C@@H](NCC2(C#N)CCC2)c2ccccc2)cc1OC ZINC000450667253 1110327626 /nfs/dbraw/zinc/32/76/26/1110327626.db2.gz KKHDHGXAZJLGCF-LJQANCHMSA-N 0 1 350.462 4.271 20 30 FIEDMN Cc1sc(NC(=O)CN[C@H](c2ccc(F)c(C)c2)C2CC2)c(C#N)c1C ZINC000538322825 1111090781 /nfs/dbraw/zinc/09/07/81/1111090781.db2.gz ABZWCWPSJFGFOL-IBGZPJMESA-N 0 1 371.481 4.364 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccnc(OC4CCCCC4)c3)[nH]c21 ZINC000538997990 1111383990 /nfs/dbraw/zinc/38/39/90/1111383990.db2.gz SQGZBSJSEKOCKB-QGZVFWFLSA-N 0 1 374.444 4.468 20 30 FIEDMN C=CC[C@@H](C)NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000539015440 1111385187 /nfs/dbraw/zinc/38/51/87/1111385187.db2.gz LCNXWFJOEYJNRC-MRVPVSSYSA-N 0 1 362.302 4.303 20 30 FIEDMN C=C(CC)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000539105043 1111435217 /nfs/dbraw/zinc/43/52/17/1111435217.db2.gz UOXXHZGIVJMQAN-UHFFFAOYSA-N 0 1 364.533 4.376 20 30 FIEDMN CCOc1ccccc1[C@H](CC)NCC(=O)N(CCC#N)c1ccccc1 ZINC000539252647 1111487822 /nfs/dbraw/zinc/48/78/22/1111487822.db2.gz MGLIRKGNRZHITQ-FQEVSTJZSA-N 0 1 365.477 4.073 20 30 FIEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccccc1-c1ccnn1C ZINC000552042687 1111554991 /nfs/dbraw/zinc/55/49/91/1111554991.db2.gz WGJJKKZYKAYGGH-UHFFFAOYSA-N 0 1 363.509 4.443 20 30 FIEDMN CCN(c1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cn1)C(C)C ZINC000478632300 1111837935 /nfs/dbraw/zinc/83/79/35/1111837935.db2.gz QGBUYXQNJTUWFS-HNNXBMFYSA-N 0 1 356.495 4.386 20 30 FIEDMN N#CC1(c2ccc(C[NH+]3CCC(C(=O)c4ccc([O-])cc4)CC3)cc2)CC1 ZINC000667493120 1112033529 /nfs/dbraw/zinc/03/35/29/1112033529.db2.gz JDFKYPYINDJZOX-UHFFFAOYSA-N 0 1 360.457 4.042 20 30 FIEDMN CC[C@@H](Nc1cccc(NC(=O)CN(CC)CC)c1)c1ccc(C#N)cc1 ZINC000554402974 1112333621 /nfs/dbraw/zinc/33/36/21/1112333621.db2.gz GUFBTQOTLWNFQS-OAQYLSRUSA-N 0 1 364.493 4.402 20 30 FIEDMN C=CCCc1ccccc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000554576554 1112405510 /nfs/dbraw/zinc/40/55/10/1112405510.db2.gz YXPTYJJRKZKQEV-QGZVFWFLSA-N 0 1 365.481 4.212 20 30 FIEDMN Cc1cccc(C)c1OC[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000480386211 1112414211 /nfs/dbraw/zinc/41/42/11/1112414211.db2.gz LIGPCXXBZDCFBB-JOCHJYFZSA-N 0 1 359.473 4.424 20 30 FIEDMN C[C@H](NCC(=O)N[C@H](c1cccs1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000554849547 1112528560 /nfs/dbraw/zinc/52/85/60/1112528560.db2.gz ZMGPRJLFOHCGTR-IFXJQAMLSA-N 0 1 355.507 4.174 20 30 FIEDMN N#CCc1cccc2c1CCN(Cc1ccccc1OCc1cccnc1)C2 ZINC000600213402 1112926015 /nfs/dbraw/zinc/92/60/15/1112926015.db2.gz DPECYFSJLMTAEM-UHFFFAOYSA-N 0 1 369.468 4.285 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)c1cccc(CC#N)c1)c1ccccc1Cl ZINC000042378255 1113243146 /nfs/dbraw/zinc/24/31/46/1113243146.db2.gz ZIWSZIYNPFBAGX-FQEVSTJZSA-N 0 1 369.896 4.219 20 30 FIEDMN N#CC(C(=O)c1ncccc1OCC(F)(F)F)c1nccc2ccccc21 ZINC000483230482 1113472247 /nfs/dbraw/zinc/47/22/47/1113472247.db2.gz HEJCMTITMDZIOO-CQSZACIVSA-N 0 1 371.318 4.061 20 30 FIEDMN N#C[C@@H](C(=O)c1ncccc1OCC(F)(F)F)c1nccc2ccccc21 ZINC000483230482 1113472249 /nfs/dbraw/zinc/47/22/49/1113472249.db2.gz HEJCMTITMDZIOO-CQSZACIVSA-N 0 1 371.318 4.061 20 30 FIEDMN CCCN(C(=O)c1ccc(C#N)s1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000487756105 1113801499 /nfs/dbraw/zinc/80/14/99/1113801499.db2.gz UQYVEFKAXLRNJG-GOSISDBHSA-N 0 1 367.518 4.137 20 30 FIEDMN N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000150203511 1113853230 /nfs/dbraw/zinc/85/32/30/1113853230.db2.gz ZMPFYOXEALPARN-UHFFFAOYSA-N 0 1 365.458 4.244 20 30 FIEDMN N#Cc1ccc(NC(=O)CCN(Cc2ccco2)Cc2cccs2)cc1 ZINC000150203511 1113853236 /nfs/dbraw/zinc/85/32/36/1113853236.db2.gz ZMPFYOXEALPARN-UHFFFAOYSA-N 0 1 365.458 4.244 20 30 FIEDMN C=CCn1c(SCc2n[nH]c(C(C)C)n2)nnc1-c1cccc(Cl)c1 ZINC000488272241 1113895500 /nfs/dbraw/zinc/89/55/00/1113895500.db2.gz MIWXRHZYMXHMAM-UHFFFAOYSA-N 0 1 374.901 4.318 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](CC)Cc1ccc(OC)cc1 ZINC000488491464 1113942488 /nfs/dbraw/zinc/94/24/88/1113942488.db2.gz IYJZOLVQVJBVAH-KRWDZBQOSA-N 0 1 372.534 4.182 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CC)Cc1ccc(OC)cc1 ZINC000488491464 1113942491 /nfs/dbraw/zinc/94/24/91/1113942491.db2.gz IYJZOLVQVJBVAH-KRWDZBQOSA-N 0 1 372.534 4.182 20 30 FIEDMN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1Cl ZINC000028852657 1114078816 /nfs/dbraw/zinc/07/88/16/1114078816.db2.gz LHLLECFMUJZODQ-UHFFFAOYSA-N 0 1 373.909 4.222 20 30 FIEDMN N#CCCN(C(=O)CNC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000028927032 1114098242 /nfs/dbraw/zinc/09/82/42/1114098242.db2.gz FGPCXYZBNPDTCF-UHFFFAOYSA-N 0 1 369.468 4.312 20 30 FIEDMN C=C[C@@H]1CCCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000489432929 1114108410 /nfs/dbraw/zinc/10/84/10/1114108410.db2.gz JTVDALKGQSZHTL-QGZVFWFLSA-N 0 1 358.283 4.447 20 30 FIEDMN N#Cc1cc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)ccc1F ZINC000490007481 1114201444 /nfs/dbraw/zinc/20/14/44/1114201444.db2.gz BHIQRWNHIHNPQD-OAHLLOKOSA-N 0 1 355.482 4.412 20 30 FIEDMN C[C@H](NCCCOc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000490060084 1114211713 /nfs/dbraw/zinc/21/17/13/1114211713.db2.gz IAYXGOQGYMSPIU-NSHDSACASA-N 0 1 355.385 4.153 20 30 FIEDMN CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1cnn(-c2ccccc2)c1C ZINC000912822291 1114215207 /nfs/dbraw/zinc/21/52/07/1114215207.db2.gz BRAHGRYVORSPSG-UHFFFAOYSA-N 0 1 366.375 4.171 20 30 FIEDMN CC(=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1cnn(-c2ccccc2)c1C ZINC000912822291 1114215209 /nfs/dbraw/zinc/21/52/09/1114215209.db2.gz BRAHGRYVORSPSG-UHFFFAOYSA-N 0 1 366.375 4.171 20 30 FIEDMN Cc1ccc(Sc2ccc(C=NNc3cnccn3)cc2[N+](=O)[O-])cc1 ZINC000912962030 1114263091 /nfs/dbraw/zinc/26/30/91/1114263091.db2.gz RMPJRPJOQJMFAZ-UHFFFAOYSA-N 0 1 365.418 4.290 20 30 FIEDMN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)c(Br)c1 ZINC000586778944 1114392097 /nfs/dbraw/zinc/39/20/97/1114392097.db2.gz ILCWZMXHDARZLP-GOSISDBHSA-N 0 1 357.251 4.106 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cnn(-c3ccccc3F)c2)n1 ZINC000080450288 1114603248 /nfs/dbraw/zinc/60/32/48/1114603248.db2.gz QNWKCQKMZNYMHN-ZDUSSCGKSA-N 0 1 354.410 4.081 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000589739632 1114831045 /nfs/dbraw/zinc/83/10/45/1114831045.db2.gz YXFVUZUFGKCHOK-HXUWFJFHSA-N 0 1 371.456 4.205 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000589739630 1114831427 /nfs/dbraw/zinc/83/14/27/1114831427.db2.gz YXFVUZUFGKCHOK-FQEVSTJZSA-N 0 1 371.456 4.205 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000589740268 1114837654 /nfs/dbraw/zinc/83/76/54/1114837654.db2.gz OTAGIWZDLREQGT-KRWDZBQOSA-N 0 1 359.495 4.127 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@H](C)c1ccc(F)c(Br)c1 ZINC000590195127 1114906184 /nfs/dbraw/zinc/90/61/84/1114906184.db2.gz XJUIHBSPQRNEMK-LLVKDONJSA-N 0 1 363.230 4.319 20 30 FIEDMN CC1CCN([C@@H](CNC(=O)C2(C#N)CCCCC2)c2cccs2)CC1 ZINC000057383270 1114922957 /nfs/dbraw/zinc/92/29/57/1114922957.db2.gz JVQPPLAZJMPSHP-KRWDZBQOSA-N 0 1 359.539 4.111 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)o1 ZINC000590477537 1114935418 /nfs/dbraw/zinc/93/54/18/1114935418.db2.gz KNIGDHFINVHITA-IBGZPJMESA-N 0 1 353.466 4.286 20 30 FIEDMN CCOC(=O)c1c(C)[nH]nc1CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000590597082 1114951756 /nfs/dbraw/zinc/95/17/56/1114951756.db2.gz UGOBPMNBKGAKRY-UHFFFAOYSA-N 0 1 369.368 4.078 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000573115781 1115045471 /nfs/dbraw/zinc/04/54/71/1115045471.db2.gz NWRFBSOBBRCLRB-BQFCYCMXSA-N 0 1 357.523 4.284 20 30 FIEDMN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000573366740 1115093979 /nfs/dbraw/zinc/09/39/79/1115093979.db2.gz VRZSLKCAVQPUEJ-UHFFFAOYSA-N 0 1 366.358 4.365 20 30 FIEDMN CC(=O)Nc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)ccc1C ZINC000573992016 1115228680 /nfs/dbraw/zinc/22/86/80/1115228680.db2.gz XGZROLRHIQBHRZ-AWEZNQCLSA-N 0 1 355.463 4.198 20 30 FIEDMN CC(=O)Nc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)ccc1C ZINC000573992016 1115228683 /nfs/dbraw/zinc/22/86/83/1115228683.db2.gz XGZROLRHIQBHRZ-AWEZNQCLSA-N 0 1 355.463 4.198 20 30 FIEDMN CC(=O)Nc1cc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)ccc1F ZINC000592974453 1115272821 /nfs/dbraw/zinc/27/28/21/1115272821.db2.gz XPHHTZVCUKNXFT-LBPRGKRZSA-N 0 1 371.368 4.023 20 30 FIEDMN CC[C@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1F ZINC000593065069 1115279835 /nfs/dbraw/zinc/27/98/35/1115279835.db2.gz RMVXCKBTNZJCHD-SJCJKPOMSA-N 0 1 371.481 4.315 20 30 FIEDMN CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(O)c1 ZINC000593213666 1115307001 /nfs/dbraw/zinc/30/70/01/1115307001.db2.gz SBGXZPGYZFNPOL-UHFFFAOYSA-N 0 1 372.490 4.292 20 30 FIEDMN Cc1ccc(-c2nn(C)cc2CN2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000592500583 1115331493 /nfs/dbraw/zinc/33/14/93/1115331493.db2.gz IEUIDCNWYAPHCL-UHFFFAOYSA-N 0 1 358.445 4.150 20 30 FIEDMN CCN(CC(=O)N[C@H]1CCCc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000249970733 1115386596 /nfs/dbraw/zinc/38/65/96/1115386596.db2.gz OUNWEGLKCFIICL-VGSWGCGISA-N 0 1 361.489 4.135 20 30 FIEDMN Cc1nn(-c2ccccc2F)cc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594520087 1115459298 /nfs/dbraw/zinc/45/92/98/1115459298.db2.gz YRFFOZAKNCSBNA-UHFFFAOYSA-N 0 1 360.436 4.361 20 30 FIEDMN COc1ccc(CN2C[C@H](C)OC3(CCCCC3)C2)cc1OCCCC#N ZINC000594613258 1115471438 /nfs/dbraw/zinc/47/14/38/1115471438.db2.gz BJJOKNOOSCJFNR-SFHVURJKSA-N 0 1 372.509 4.301 20 30 FIEDMN COc1cc(F)c([C@H](C)NCc2ccc(C3(C#N)CC3)cc2)cc1OC ZINC000594928083 1115490750 /nfs/dbraw/zinc/49/07/50/1115490750.db2.gz ZHVYXBKVWJFDRM-AWEZNQCLSA-N 0 1 354.425 4.249 20 30 FIEDMN COc1cc(CNC(C)(C)c2cccc(C#N)c2)c(SC)cc1OC ZINC000594968671 1115499399 /nfs/dbraw/zinc/49/93/99/1115499399.db2.gz NASQHTVDUMZZFM-UHFFFAOYSA-N 0 1 356.491 4.322 20 30 FIEDMN Cc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)c(O[C@@H]2CCOC2)c1 ZINC000594932806 1115500419 /nfs/dbraw/zinc/50/04/19/1115500419.db2.gz UQXBMCWUZLEVEQ-OAQYLSRUSA-N 0 1 362.473 4.008 20 30 FIEDMN N#Cc1ccc(CCN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000595296220 1115521922 /nfs/dbraw/zinc/52/19/22/1115521922.db2.gz XWRZJLQEQMMYRX-OKILXGFUSA-N 0 1 350.306 4.163 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2F)C(C)C)c(C#N)c1C ZINC000595685213 1115554461 /nfs/dbraw/zinc/55/44/61/1115554461.db2.gz FMVHFIBGMYLHLN-FZKQIMNGSA-N 0 1 357.429 4.221 20 30 FIEDMN CC(C)Oc1ccccc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595765742 1115559158 /nfs/dbraw/zinc/55/91/58/1115559158.db2.gz XBPKTYUUAYZPCS-UHFFFAOYSA-N 0 1 350.462 4.141 20 30 FIEDMN N#CC1(CCCN2CC[C@H]2c2ccc(Br)cc2)CCOCC1 ZINC000595846199 1115564129 /nfs/dbraw/zinc/56/41/29/1115564129.db2.gz WQLUBQKMMCSWBX-KRWDZBQOSA-N 0 1 363.299 4.296 20 30 FIEDMN N#CCCCOc1cccc(CN[C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000596060251 1115572437 /nfs/dbraw/zinc/57/24/37/1115572437.db2.gz DBICHGPGSNQVHU-OAQYLSRUSA-N 0 1 372.472 4.332 20 30 FIEDMN CC(C)(C#N)c1ccc(CN[C@H]2CCc3ccccc3-n3ccnc32)cc1 ZINC000596063709 1115572780 /nfs/dbraw/zinc/57/27/80/1115572780.db2.gz QWDVCFQKWKOLCK-FQEVSTJZSA-N 0 1 356.473 4.451 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4nc5ncccc5cc4C#N)C3)[nH]c2c1 ZINC000596189836 1115576738 /nfs/dbraw/zinc/57/67/38/1115576738.db2.gz LNIKDMJSIYPFCC-MRXNPFEDSA-N 0 1 368.444 4.070 20 30 FIEDMN CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccncc1 ZINC000596594484 1115600523 /nfs/dbraw/zinc/60/05/23/1115600523.db2.gz VKYRYNWWMLAGPO-LJQANCHMSA-N 0 1 368.868 4.018 20 30 FIEDMN CC1(C)CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccncc1 ZINC000596594484 1115600525 /nfs/dbraw/zinc/60/05/25/1115600525.db2.gz VKYRYNWWMLAGPO-LJQANCHMSA-N 0 1 368.868 4.018 20 30 FIEDMN N#Cc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000060330089 1115617254 /nfs/dbraw/zinc/61/72/54/1115617254.db2.gz CCCNIUBRWUQJON-UHFFFAOYSA-N 0 1 353.853 4.062 20 30 FIEDMN COc1ccc(CN2CCC[C@H](CC#N)C2)cc1OCc1ccccc1 ZINC000597175275 1115646719 /nfs/dbraw/zinc/64/67/19/1115646719.db2.gz XQLRPTRCUJHRCB-GOSISDBHSA-N 0 1 350.462 4.400 20 30 FIEDMN C[C@H](CCC(C)(C)C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593351848 1115665203 /nfs/dbraw/zinc/66/52/03/1115665203.db2.gz SWGPFWKHVDSQFS-QGZVFWFLSA-N 0 1 355.526 4.101 20 30 FIEDMN C[C@H](CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000593354649 1115666806 /nfs/dbraw/zinc/66/68/06/1115666806.db2.gz JSPHZDJSXRGHCF-GOSISDBHSA-N 0 1 367.537 4.245 20 30 FIEDMN Cc1cccc2cc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)oc21 ZINC000593355335 1115667130 /nfs/dbraw/zinc/66/71/30/1115667130.db2.gz NZQGDARMLWUYOR-UHFFFAOYSA-N 0 1 373.456 4.007 20 30 FIEDMN C[C@H](NCc1cccc(F)c1C#N)[C@H](OC1CCOCC1)c1ccccc1 ZINC000602013064 1115677462 /nfs/dbraw/zinc/67/74/62/1115677462.db2.gz SXIAXTMSKOYQJT-AOMKIAJQSA-N 0 1 368.452 4.112 20 30 FIEDMN CCCCN(CCCC)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593508131 1115707085 /nfs/dbraw/zinc/70/70/85/1115707085.db2.gz DQVDPIVUXYBCAQ-UHFFFAOYSA-N 0 1 370.541 4.134 20 30 FIEDMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599259909 1115803280 /nfs/dbraw/zinc/80/32/80/1115803280.db2.gz RKBABVJICCZAOO-ZFWWWQNUSA-N 0 1 371.308 4.058 20 30 FIEDMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599259904 1115803307 /nfs/dbraw/zinc/80/33/07/1115803307.db2.gz RKBABVJICCZAOO-DZGCQCFKSA-N 0 1 371.308 4.058 20 30 FIEDMN Cc1ccc(CN[C@H]2CCOc3c(Br)cccc32)cc1C#N ZINC000599399353 1115812443 /nfs/dbraw/zinc/81/24/43/1115812443.db2.gz QGBOIZFPXPXSHZ-KRWDZBQOSA-N 0 1 357.251 4.243 20 30 FIEDMN COc1cc(Br)ccc1[C@H](C)NCc1ccc(C)c(C#N)c1 ZINC000599387615 1115813774 /nfs/dbraw/zinc/81/37/74/1115813774.db2.gz ZMSJBCWPBOICMA-ZDUSSCGKSA-N 0 1 359.267 4.489 20 30 FIEDMN CCC(C#N)(CC)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000599729553 1115842325 /nfs/dbraw/zinc/84/23/25/1115842325.db2.gz KFSMNWSEPBHKNY-UHFFFAOYSA-N 0 1 374.313 4.485 20 30 FIEDMN Cc1cc(C)c([C@H](C)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)c1 ZINC000604504745 1115868459 /nfs/dbraw/zinc/86/84/59/1115868459.db2.gz PRTNTTOCVRBMIW-KRWDZBQOSA-N 0 1 364.493 4.232 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3csc(-c4ccccc4)n3)[nH]c21 ZINC000605363243 1115891136 /nfs/dbraw/zinc/89/11/36/1115891136.db2.gz QKBUUZHLOXKDHK-AWEZNQCLSA-N 0 1 358.426 4.485 20 30 FIEDMN Cc1c(Cl)cccc1NC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032030 1115965514 /nfs/dbraw/zinc/96/55/14/1115965514.db2.gz APHXKEKRJMCUJS-UHFFFAOYSA-N 0 1 353.853 4.128 20 30 FIEDMN Cc1cc(Cl)ccc1NC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032475 1115967288 /nfs/dbraw/zinc/96/72/88/1115967288.db2.gz UGIYBGWYWYDQNV-UHFFFAOYSA-N 0 1 353.853 4.128 20 30 FIEDMN N#Cc1ccc(C2(NCC(=O)Nc3ccc(Cl)cc3Cl)CCC2)cc1 ZINC000594032613 1115967587 /nfs/dbraw/zinc/96/75/87/1115967587.db2.gz YFYXZKINSRDWRZ-UHFFFAOYSA-N 0 1 374.271 4.473 20 30 FIEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000063300418 1116038708 /nfs/dbraw/zinc/03/87/08/1116038708.db2.gz QCDIUASPYJKNEB-HSZRJFAPSA-N 0 1 372.468 4.139 20 30 FIEDMN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)COc1cccc2ccccc21 ZINC000063300421 1116038838 /nfs/dbraw/zinc/03/88/38/1116038838.db2.gz DORGQMPCUACTLH-QFIPXVFZSA-N 0 1 372.468 4.139 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000173411944 1116061746 /nfs/dbraw/zinc/06/17/46/1116061746.db2.gz SFOZFWNXDBCJPK-KSSFIOAISA-N 0 1 369.421 4.135 20 30 FIEDMN Cc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000063497552 1116075207 /nfs/dbraw/zinc/07/52/07/1116075207.db2.gz XTJIKNRXKMFONS-UHFFFAOYSA-N 0 1 357.211 4.179 20 30 FIEDMN C=C(C)COc1cc(CN[C@H]2CCOc3cc(OC)ccc32)ccc1OC ZINC000608063474 1116080239 /nfs/dbraw/zinc/08/02/39/1116080239.db2.gz OZAGFSWJPVUODI-IBGZPJMESA-N 0 1 369.461 4.272 20 30 FIEDMN Cc1ccc([C@@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)cc1C ZINC000063619430 1116088392 /nfs/dbraw/zinc/08/83/92/1116088392.db2.gz HZCAJFPGMLCYQR-FQEVSTJZSA-N 0 1 353.510 4.125 20 30 FIEDMN C=C[C@@H](CC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccccc1 ZINC000534655809 1116223029 /nfs/dbraw/zinc/22/30/29/1116223029.db2.gz YNNYAKYSTZTRSW-JXFKEZNVSA-N 0 1 356.897 4.419 20 30 FIEDMN Cn1cc(Nc2cccc(C(=O)C(C#N)c3nc4ccccc4s3)c2)cn1 ZINC000534995177 1116260567 /nfs/dbraw/zinc/26/05/67/1116260567.db2.gz PGLJOHHCQAAVCT-MRXNPFEDSA-N 0 1 373.441 4.263 20 30 FIEDMN Cn1cc(Nc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2)cn1 ZINC000534995177 1116260568 /nfs/dbraw/zinc/26/05/68/1116260568.db2.gz PGLJOHHCQAAVCT-MRXNPFEDSA-N 0 1 373.441 4.263 20 30 FIEDMN N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000457356439 1116269575 /nfs/dbraw/zinc/26/95/75/1116269575.db2.gz IBSCBUYGZHHBOO-GOSISDBHSA-N 0 1 364.836 4.455 20 30 FIEDMN Cc1nc(NC(=O)c2ccc(C#N)c(O)c2)sc1Cc1cccc(F)c1 ZINC000442727851 1116292340 /nfs/dbraw/zinc/29/23/40/1116292340.db2.gz HDMHSLALZJMIFP-UHFFFAOYSA-N 0 1 367.405 4.011 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)o1 ZINC000539550055 1116342539 /nfs/dbraw/zinc/34/25/39/1116342539.db2.gz RAIOERIKVQUHOC-UHFFFAOYSA-N 0 1 368.414 4.361 20 30 FIEDMN N#Cc1cc(F)ccc1CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000539766388 1116377543 /nfs/dbraw/zinc/37/75/43/1116377543.db2.gz VGMXFXGZFMZHKL-QGZVFWFLSA-N 0 1 367.472 4.243 20 30 FIEDMN N#CCCn1cc(CN2CC(c3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000463030410 1117934569 /nfs/dbraw/zinc/93/45/69/1117934569.db2.gz VKNCFLZJJYJPDY-UHFFFAOYSA-N 0 1 360.436 4.202 20 30 FIEDMN C[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[C@@H]1c1ccccc1 ZINC000075768401 1117971589 /nfs/dbraw/zinc/97/15/89/1117971589.db2.gz SFABBKDSRGIVMC-UZLBHIALSA-N 0 1 358.445 4.234 20 30 FIEDMN CCOc1ccc(CN(CCCn2ccnc2)Cc2ccccc2C#N)cc1 ZINC000540320350 1117983695 /nfs/dbraw/zinc/98/36/95/1117983695.db2.gz JJSAXCGTEIQUEL-UHFFFAOYSA-N 0 1 374.488 4.246 20 30 FIEDMN C=CCCO[C@@H](C)c1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1 ZINC000463160447 1117989306 /nfs/dbraw/zinc/98/93/06/1117989306.db2.gz JZHLNMBJBWDKPY-NSHDSACASA-N 0 1 367.434 4.390 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@H](C)c1cccc(OC)c1 ZINC000540329193 1117994602 /nfs/dbraw/zinc/99/46/02/1117994602.db2.gz DIFDPVXJTOMRCW-OAHLLOKOSA-N 0 1 356.491 4.263 20 30 FIEDMN C[C@@H](NCC#Cc1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000540350448 1117996861 /nfs/dbraw/zinc/99/68/61/1117996861.db2.gz BYADTHDBOFBQLG-OAHLLOKOSA-N 0 1 352.865 4.391 20 30 FIEDMN CCOc1ccccc1[C@H](CC)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000540352678 1117998247 /nfs/dbraw/zinc/99/82/47/1117998247.db2.gz VGZNOAQLRGGQAM-SFHVURJKSA-N 0 1 371.868 4.290 20 30 FIEDMN C#CCC1(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)CCCCC1 ZINC001127244630 1118058356 /nfs/dbraw/zinc/05/83/56/1118058356.db2.gz FWFNFTGOHUDMEJ-PMACEKPBSA-N 0 1 352.522 4.082 20 30 FIEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000463517007 1118200212 /nfs/dbraw/zinc/20/02/12/1118200212.db2.gz ITGOPWMPKPXEJI-UHFFFAOYSA-N 0 1 364.426 4.035 20 30 FIEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(OC3CCCC3)nc2)n1 ZINC000540998997 1118346064 /nfs/dbraw/zinc/34/60/64/1118346064.db2.gz ASGSJDVJBQDVFT-HNNXBMFYSA-N 0 1 355.463 4.473 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(OC3CCCC3)nc2)n1 ZINC000540998997 1118346071 /nfs/dbraw/zinc/34/60/71/1118346071.db2.gz ASGSJDVJBQDVFT-HNNXBMFYSA-N 0 1 355.463 4.473 20 30 FIEDMN N#Cc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000443448321 1118353727 /nfs/dbraw/zinc/35/37/27/1118353727.db2.gz ADOCXXPMIONLNM-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(CC#N)cc1 ZINC000541281987 1118448716 /nfs/dbraw/zinc/44/87/16/1118448716.db2.gz RXDWIEGPMWAAAH-UHFFFAOYSA-N 0 1 355.869 4.257 20 30 FIEDMN Cc1ccccc1C1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000541701188 1118616266 /nfs/dbraw/zinc/61/62/66/1118616266.db2.gz FYKAZTYCAXTQMD-UHFFFAOYSA-N 0 1 361.489 4.121 20 30 FIEDMN CCC[C@@]1(C)CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000464846029 1118719438 /nfs/dbraw/zinc/71/94/38/1118719438.db2.gz IJJCIVUAAWDIPU-UWJYYQICSA-N 0 1 359.489 4.363 20 30 FIEDMN OC[C@@H](NCC#Cc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000541953165 1118720062 /nfs/dbraw/zinc/72/00/62/1118720062.db2.gz GBWBCJHGEVESKT-QGZVFWFLSA-N 0 1 353.771 4.034 20 30 FIEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000443655997 1118743253 /nfs/dbraw/zinc/74/32/53/1118743253.db2.gz KVPAOHDACFQUSU-CQSZACIVSA-N 0 1 353.372 4.357 20 30 FIEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000464939693 1118765659 /nfs/dbraw/zinc/76/56/59/1118765659.db2.gz XXJJVLAOEDPKTH-RXVVDRJESA-N 0 1 374.419 4.128 20 30 FIEDMN C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000542408107 1118923608 /nfs/dbraw/zinc/92/36/08/1118923608.db2.gz KQBLMJDNLVUBSR-AEFFLSMTSA-N 0 1 373.545 4.486 20 30 FIEDMN CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271933305 1119006231 /nfs/dbraw/zinc/00/62/31/1119006231.db2.gz MDIIHRYIJSKTLY-LSDHHAIUSA-N 0 1 353.441 4.076 20 30 FIEDMN COc1ccccc1[C@@H]1CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000492627339 1119148612 /nfs/dbraw/zinc/14/86/12/1119148612.db2.gz CWXVPLSZXJNHHE-OAHLLOKOSA-N 0 1 371.278 4.319 20 30 FIEDMN COc1cccc(Oc2ncccc2CNCc2ccc(C#N)c(C)c2)c1 ZINC000443977536 1119156090 /nfs/dbraw/zinc/15/60/90/1119156090.db2.gz DKSMRELCHAKWMM-UHFFFAOYSA-N 0 1 359.429 4.352 20 30 FIEDMN CC[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(F)ccc1F ZINC000492756382 1119185114 /nfs/dbraw/zinc/18/51/14/1119185114.db2.gz IBVKFHFCTXPKNV-WOJBJXKFSA-N 0 1 369.415 4.073 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)n1 ZINC000176615269 1119285464 /nfs/dbraw/zinc/28/54/64/1119285464.db2.gz VNJRXNAPMTXQHB-INIZCTEOSA-N 0 1 363.442 4.316 20 30 FIEDMN COc1ccc(-c2nc(SCc3ccccc3F)[nH]c(=O)c2C#N)cc1 ZINC000031610632 1119515335 /nfs/dbraw/zinc/51/53/35/1119515335.db2.gz BNZBSFWCEKBSQZ-UHFFFAOYSA-N 0 1 367.405 4.161 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(N3CCC(C)CC3)nc2)n1 ZINC000183128650 1119566369 /nfs/dbraw/zinc/56/63/69/1119566369.db2.gz AJIHGFZNMJDPFV-INIZCTEOSA-N 0 1 368.506 4.388 20 30 FIEDMN N#CC(C(=O)c1ccc(N2CCCC2)nc1)c1nc(-c2ccccc2)cs1 ZINC000187130491 1119768614 /nfs/dbraw/zinc/76/86/14/1119768614.db2.gz VPLZLXVPOOXQHC-QGZVFWFLSA-N 0 1 374.469 4.295 20 30 FIEDMN CCN(CCC(C#N)(c1ccccc1)c1ccccc1)Cc1cnn(C)c1 ZINC000191582078 1119985534 /nfs/dbraw/zinc/98/55/34/1119985534.db2.gz OOTUFWPTFTWVET-UHFFFAOYSA-N 0 1 358.489 4.142 20 30 FIEDMN C=CCC[C@H](C(=O)NC[C@H](c1cccc(OC)c1)N(C)C)c1ccccc1 ZINC000494902056 1120364015 /nfs/dbraw/zinc/36/40/15/1120364015.db2.gz BZASNLXDLHLIFR-FCHUYYIVSA-N 0 1 366.505 4.164 20 30 FIEDMN CCC[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1)C(C)C ZINC000153331420 1120505577 /nfs/dbraw/zinc/50/55/77/1120505577.db2.gz VCFGVOXUQHHQAC-ZIAGYGMSSA-N 0 1 350.846 4.068 20 30 FIEDMN CCCCCCCC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000914870221 1120607847 /nfs/dbraw/zinc/60/78/47/1120607847.db2.gz VTJVKPUMLPQWQJ-KDURUIRLSA-N 0 1 360.542 4.273 20 30 FIEDMN Fc1cccc(N2CCCC2)c1CN=Nc1ncccc1C(F)(F)F ZINC000915050327 1120756657 /nfs/dbraw/zinc/75/66/57/1120756657.db2.gz KHVVPRDOEZPYJL-UHFFFAOYSA-N 0 1 352.335 4.286 20 30 FIEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000495374500 1120760359 /nfs/dbraw/zinc/76/03/59/1120760359.db2.gz QKHMPFGPZPLLIQ-QWRGUYRKSA-N 0 1 368.378 4.485 20 30 FIEDMN CC(=Cc1cc(C(F)(F)F)ccc1Cl)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193613745 1120982237 /nfs/dbraw/zinc/98/22/37/1120982237.db2.gz DCXHIISKQSWEPP-VMPITWQZSA-N 0 1 353.731 4.183 20 30 FIEDMN COc1ccc(-c2nc(SC/C(Cl)=C/Cl)[nH]c(=O)c2C#N)cc1 ZINC000763172112 1121212843 /nfs/dbraw/zinc/21/28/43/1121212843.db2.gz VIVHTEYCOJCGRC-POHAHGRESA-N 0 1 368.245 4.141 20 30 FIEDMN O=C(NC1CC1)c1cc(F)c(NN=C2CCSc3ccccc32)c(F)c1 ZINC000763183532 1121233288 /nfs/dbraw/zinc/23/32/88/1121233288.db2.gz SLTCDDFEURIWCQ-UHFFFAOYSA-N 0 1 373.428 4.169 20 30 FIEDMN COc1cc(CN=Nc2c(Cl)cccc2Cl)ccc1OCC#N ZINC000763181255 1121236825 /nfs/dbraw/zinc/23/68/25/1121236825.db2.gz WNNJLLNMUKNIAO-UHFFFAOYSA-N 0 1 350.205 4.350 20 30 FIEDMN CC(C)(C)c1ncc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000122829287 1121343433 /nfs/dbraw/zinc/34/34/33/1121343433.db2.gz BTSPWKCLYYZZEZ-UHFFFAOYSA-N 0 1 368.550 4.020 20 30 FIEDMN Cn1c(NN=Cc2csc(-c3ccccc3)n2)nnc1-c1ccccc1 ZINC000915968248 1121357475 /nfs/dbraw/zinc/35/74/75/1121357475.db2.gz RSXICIPJXUBICT-UHFFFAOYSA-N 0 1 360.446 4.052 20 30 FIEDMN c1nn(-c2ccccc2)c2ncnc(N=NC3CCSc4ccccc43)c12 ZINC000915964009 1121365535 /nfs/dbraw/zinc/36/55/35/1121365535.db2.gz QULDOUGZYRXLGG-UHFFFAOYSA-N 0 1 372.457 4.128 20 30 FIEDMN c1nn(-c2ccccc2)c2ncnc(NN=C3CCSc4ccccc43)c12 ZINC000915964009 1121365545 /nfs/dbraw/zinc/36/55/45/1121365545.db2.gz QULDOUGZYRXLGG-UHFFFAOYSA-N 0 1 372.457 4.128 20 30 FIEDMN CCCCCCN(O)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001649057027 1121382110 /nfs/dbraw/zinc/38/21/10/1121382110.db2.gz OMYQEZJUDKAXQJ-UHFFFAOYSA-N 0 1 371.525 4.206 20 30 FIEDMN COc1cc(C=NNc2ccccn2)ccc1OCc1ccc(F)cc1 ZINC000916275954 1121461568 /nfs/dbraw/zinc/46/15/68/1121461568.db2.gz CASKQGCJWPLGMA-UHFFFAOYSA-N 0 1 351.381 4.254 20 30 FIEDMN COc1cc(Br)c(CN=Nc2ccc3ccccc3n2)cc1O ZINC000916285979 1121462737 /nfs/dbraw/zinc/46/27/37/1121462737.db2.gz TVPPBRKMHRFQTL-UHFFFAOYSA-N 0 1 372.222 4.158 20 30 FIEDMN N#CC1CCN(Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000123674641 1121623758 /nfs/dbraw/zinc/62/37/58/1121623758.db2.gz TXEQRHYZTPKUJQ-UHFFFAOYSA-N 0 1 353.853 4.328 20 30 FIEDMN Cc1nc(-c2cccs2)c(CC(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000916879654 1121907073 /nfs/dbraw/zinc/90/70/73/1121907073.db2.gz FJENKGZMFXICBG-ZDUSSCGKSA-N 0 1 368.487 4.006 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)CC(C)(C)C)cc1Cl ZINC000916940899 1121961920 /nfs/dbraw/zinc/96/19/20/1121961920.db2.gz OICBWQGDIOUFPA-OCCSQVGLSA-N 0 1 364.873 4.458 20 30 FIEDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1F ZINC000126596247 1121968007 /nfs/dbraw/zinc/96/80/07/1121968007.db2.gz MLFMPOORTAOSLQ-IAGOWNOFSA-N 0 1 353.441 4.120 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2noc3c2CCCC3)cc1 ZINC000916951177 1121974067 /nfs/dbraw/zinc/97/40/67/1121974067.db2.gz XOTUASWCLBUKHN-GUYCJALGSA-N 0 1 365.433 4.028 20 30 FIEDMN N#Cc1ccccc1OCC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000917045324 1122013173 /nfs/dbraw/zinc/01/31/73/1122013173.db2.gz XYNWMBINBMMMSM-CYBMUJFWSA-N 0 1 367.817 4.077 20 30 FIEDMN COCc1ccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000066544766 1122072501 /nfs/dbraw/zinc/07/25/01/1122072501.db2.gz XNUQDFHYWHIDML-SFHVURJKSA-N 0 1 373.437 4.318 20 30 FIEDMN CC(C)Oc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000056170605 1122297196 /nfs/dbraw/zinc/29/71/96/1122297196.db2.gz SMCVROICFUDJEN-HOTGVXAUSA-N 0 1 351.450 4.023 20 30 FIEDMN CCN(CC(=O)NC1(c2ccccc2)CCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599456 1122308586 /nfs/dbraw/zinc/30/85/86/1122308586.db2.gz CXRBKLQOFUWGJE-SFHVURJKSA-N 0 1 361.489 4.137 20 30 FIEDMN C=CCN(Cc1cccs1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000497620926 1122320146 /nfs/dbraw/zinc/32/01/46/1122320146.db2.gz QYOACIMRURDKTJ-CQSZACIVSA-N 0 1 372.317 4.483 20 30 FIEDMN C#CCN(Cc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCc2ccccc21 ZINC000917520876 1122337182 /nfs/dbraw/zinc/33/71/82/1122337182.db2.gz XSBXUJXMFWJHKM-DEOSSOPVSA-N 0 1 372.512 4.435 20 30 FIEDMN N#CCC[C@@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000130611848 1122886698 /nfs/dbraw/zinc/88/66/98/1122886698.db2.gz UYNFMWOKFATEGC-FCHUYYIVSA-N 0 1 350.462 4.379 20 30 FIEDMN C#CCN1CCC(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)CC1 ZINC000919964424 1123290620 /nfs/dbraw/zinc/29/06/20/1123290620.db2.gz CHFCNSSAFOZEKA-UHFFFAOYSA-N 0 1 367.518 4.019 20 30 FIEDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000920174973 1123403999 /nfs/dbraw/zinc/40/39/99/1123403999.db2.gz RUHVBSXOUBWTMX-KNXMRVRDSA-N 0 1 373.840 4.208 20 30 FIEDMN Cc1sc2ncnc(NN=C3CCOc4c(F)cc(F)cc43)c2c1C ZINC000920363070 1123447150 /nfs/dbraw/zinc/44/71/50/1123447150.db2.gz RLKLCZPMUNIIRA-UHFFFAOYSA-N 0 1 360.389 4.185 20 30 FIEDMN C[C@H](NN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000920385847 1123450858 /nfs/dbraw/zinc/45/08/58/1123450858.db2.gz IOIIUJDUKGXKAV-INIZCTEOSA-N 0 1 352.438 4.270 20 30 FIEDMN C=CCCOCC(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000920791118 1123519597 /nfs/dbraw/zinc/51/95/97/1123519597.db2.gz VRYYSAMYOONWAR-NSHDSACASA-N 0 1 354.353 4.084 20 30 FIEDMN COCCOc1ccc(C(C)=NNc2cccc(Cl)c2F)cc1OC ZINC000921137582 1123569452 /nfs/dbraw/zinc/56/94/52/1123569452.db2.gz DQIFITCUZJYBCA-UHFFFAOYSA-N 0 1 366.820 4.349 20 30 FIEDMN Cc1csc(C(C#N)=C([O-])c2ccc(NC(=O)CC(C)C)c(F)c2)n1 ZINC000076763402 1123628395 /nfs/dbraw/zinc/62/83/95/1123628395.db2.gz WZUGQOSOVPKMAW-ZDUSSCGKSA-N 0 1 359.426 4.065 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)n1 ZINC000076763402 1123628397 /nfs/dbraw/zinc/62/83/97/1123628397.db2.gz WZUGQOSOVPKMAW-ZDUSSCGKSA-N 0 1 359.426 4.065 20 30 FIEDMN N#Cc1ccc(C(F)(F)F)nc1NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609670098 1123789506 /nfs/dbraw/zinc/78/95/06/1123789506.db2.gz GXZFKYMTQZVBQT-UHFFFAOYSA-N 0 1 351.719 4.114 20 30 FIEDMN COc1ccccc1-c1n[nH]c(NC(=O)[C@H]2SCCc3ccccc32)n1 ZINC000079702435 1123917116 /nfs/dbraw/zinc/91/71/16/1123917116.db2.gz XFRYOWWFFQBIJV-INIZCTEOSA-N 0 1 366.446 4.099 20 30 FIEDMN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc(C#N)ccc1O ZINC000179733665 1124045264 /nfs/dbraw/zinc/04/52/64/1124045264.db2.gz SMDNDSOVNPLXHX-UHFFFAOYSA-N 0 1 371.755 4.272 20 30 FIEDMN CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000302108219 1124284198 /nfs/dbraw/zinc/28/41/98/1124284198.db2.gz OKMQZRYNVAFJAC-FXAWDEMLSA-N 0 1 353.491 4.317 20 30 FIEDMN N#Cc1cccc(C#N)c1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000302467754 1124314914 /nfs/dbraw/zinc/31/49/14/1124314914.db2.gz SYNHGYOVBGNTLX-UHFFFAOYSA-N 0 1 350.853 4.160 20 30 FIEDMN C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000057406368 1124324329 /nfs/dbraw/zinc/32/43/29/1124324329.db2.gz FSOJWVLMNONBIJ-QGZVFWFLSA-N 0 1 355.441 4.264 20 30 FIEDMN Cc1ccc(NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)nc1C#N ZINC000302676385 1124337754 /nfs/dbraw/zinc/33/77/54/1124337754.db2.gz UPOZHIFCDJTXFI-KUHUBIRLSA-N 0 1 358.848 4.159 20 30 FIEDMN CN(CCOCc1ccc(C#N)cc1)Cc1cnc(-c2ccsc2)s1 ZINC000554889930 1124717744 /nfs/dbraw/zinc/71/77/44/1124717744.db2.gz QHKRGWJSBCVEGW-UHFFFAOYSA-N 0 1 369.515 4.392 20 30 FIEDMN C=CCc1cc(CNCc2ccc(OCC)c(F)c2)cc(OC)c1OC ZINC000785454754 1124720812 /nfs/dbraw/zinc/72/08/12/1124720812.db2.gz IMMBFLUGUZJCGT-UHFFFAOYSA-N 0 1 359.441 4.260 20 30 FIEDMN N#Cc1c(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cn2ccccc12 ZINC000073571050 1124720931 /nfs/dbraw/zinc/72/09/31/1124720931.db2.gz SKJBSJKLBARQQO-MRXNPFEDSA-N 0 1 356.429 4.332 20 30 FIEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306113 1124887562 /nfs/dbraw/zinc/88/75/62/1124887562.db2.gz XWPVAZDPEUVJJY-PBHICJAKSA-N 0 1 353.853 4.028 20 30 FIEDMN CC[C@@H](C)n1ncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1C1CC1 ZINC000089964393 1124972193 /nfs/dbraw/zinc/97/21/93/1124972193.db2.gz XABPWXQCQAAHQP-UKRRQHHQSA-N 0 1 361.449 4.108 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181580625 1125036925 /nfs/dbraw/zinc/03/69/25/1125036925.db2.gz XBXUCGLAFXBGCJ-AWEZNQCLSA-N 0 1 354.425 4.346 20 30 FIEDMN C[C@H](NCc1c2c(nn1C)CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000921985155 1125148018 /nfs/dbraw/zinc/14/80/18/1125148018.db2.gz OMMMPNPNLZIRMD-INIZCTEOSA-N 0 1 356.473 4.298 20 30 FIEDMN N#Cc1ccccc1CSCCNCc1csc(-c2ccccn2)n1 ZINC000065980734 1125441321 /nfs/dbraw/zinc/44/13/21/1125441321.db2.gz UOONANSJAKYTKD-UHFFFAOYSA-N 0 1 366.515 4.100 20 30 FIEDMN Cc1ccccc1-n1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cn1 ZINC000601931484 567879247 /nfs/dbraw/zinc/87/92/47/567879247.db2.gz UBKGCPKZMAXUSA-GOSISDBHSA-N 0 1 352.397 4.219 20 30 FIEDMN Cc1ccccc1-n1cc(C(=O)C(C#N)c2ccc3ccccc3n2)cn1 ZINC000601931484 567879248 /nfs/dbraw/zinc/87/92/48/567879248.db2.gz UBKGCPKZMAXUSA-GOSISDBHSA-N 0 1 352.397 4.219 20 30 FIEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481517516 568005190 /nfs/dbraw/zinc/00/51/90/568005190.db2.gz PCFQTOPTXHONGT-IRXDYDNUSA-N 0 1 365.452 4.294 20 30 FIEDMN COc1cccc([C@H]2C[C@@H](C)CN2Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000568517629 568045809 /nfs/dbraw/zinc/04/58/09/568045809.db2.gz TXVOACXCLICRMC-AUUYWEPGSA-N 0 1 351.406 4.058 20 30 FIEDMN COc1cccc([C@H]2C[C@H](C)CN2Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000568517630 568045865 /nfs/dbraw/zinc/04/58/65/568045865.db2.gz TXVOACXCLICRMC-IFXJQAMLSA-N 0 1 351.406 4.058 20 30 FIEDMN N#CC(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc2ccccc2n1 ZINC000603835668 568159318 /nfs/dbraw/zinc/15/93/18/568159318.db2.gz FWUNSSBAPYMZLJ-OAHLLOKOSA-N 0 1 357.325 4.379 20 30 FIEDMN CCN(CCc1ccccc1)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000603852185 568166293 /nfs/dbraw/zinc/16/62/93/568166293.db2.gz GWOCFAJHXRVXDK-UHFFFAOYSA-N 0 1 363.505 4.115 20 30 FIEDMN COc1cc2c(cc1CN[C@H]1CCCCc3cc(C#N)ccc31)O[C@H](C)C2 ZINC000481918004 568183589 /nfs/dbraw/zinc/18/35/89/568183589.db2.gz QECXAXAIPMOZAM-VFNWGFHPSA-N 0 1 362.473 4.448 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N2C[C@H](c3ccccc3C)C[C@H]2C)c(C#N)c1C ZINC000303752012 568281406 /nfs/dbraw/zinc/28/14/06/568281406.db2.gz LZFKQIWRSLVHIH-UWWQBHOKSA-N 0 1 365.477 4.282 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1occc1-c1ccc(F)cc1 ZINC000152008405 568303197 /nfs/dbraw/zinc/30/31/97/568303197.db2.gz SXCQLUMRVBGXHW-INIZCTEOSA-N 0 1 359.360 4.462 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1occc1-c1ccc(F)cc1 ZINC000152008405 568303198 /nfs/dbraw/zinc/30/31/98/568303198.db2.gz SXCQLUMRVBGXHW-INIZCTEOSA-N 0 1 359.360 4.462 20 30 FIEDMN N#Cc1ccc(NC[C@@H](c2ccccc2Cl)N2CCCC2)c([N+](=O)[O-])c1 ZINC000032534056 568393927 /nfs/dbraw/zinc/39/39/27/568393927.db2.gz KHFQCYXGIPYMGL-IBGZPJMESA-N 0 1 370.840 4.369 20 30 FIEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(-c2ccccc2)c(C)n1 ZINC000570558988 568487159 /nfs/dbraw/zinc/48/71/59/568487159.db2.gz OWDPNDPZHMXWMQ-UHFFFAOYSA-N 0 1 363.442 4.038 20 30 FIEDMN N#Cc1cccnc1OC1CCC(Nc2cc[nH+]c3c([O-])cccc23)CC1 ZINC000619497127 1125604235 /nfs/dbraw/zinc/60/42/35/1125604235.db2.gz IEXGHUKBUKGNEF-UHFFFAOYSA-N 0 1 360.417 4.009 20 30 FIEDMN Cn1c2ccccc2nc1[C@H]1CCCCN1CCCC1(C#N)CCOCC1 ZINC000619621274 1125642082 /nfs/dbraw/zinc/64/20/82/1125642082.db2.gz IHUPEESNHTZFEO-HXUWFJFHSA-N 0 1 366.509 4.201 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cnn(Cc2ccccc2)c1 ZINC000619754853 1125680750 /nfs/dbraw/zinc/68/07/50/1125680750.db2.gz MREXSGZPVBZBDT-OAHLLOKOSA-N 0 1 350.853 4.307 20 30 FIEDMN COc1sc(CNCc2ccc(C#N)c(Cl)c2)cc1Br ZINC000619748592 1125690729 /nfs/dbraw/zinc/69/07/29/1125690729.db2.gz OLIRPGLZNLTYMD-UHFFFAOYSA-N 0 1 371.687 4.334 20 30 FIEDMN C=CCOc1ccc(CN[C@H]2CCCOc3ccc(F)cc32)cc1OC ZINC000619772552 1125700682 /nfs/dbraw/zinc/70/06/82/1125700682.db2.gz NZTYEIZGOIPJIG-SFHVURJKSA-N 0 1 357.425 4.403 20 30 FIEDMN N#CCCCn1cc(-c2nc(-c3ccn4cncc4c3)no2)c2ccccc21 ZINC000579762305 1079627788 /nfs/dbraw/zinc/62/77/88/1079627788.db2.gz AAGNISANJLZAQW-UHFFFAOYSA-N 0 1 368.400 4.310 20 30 FIEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3c(Cl)oc4ccccc43)C2)nc1 ZINC000430182751 1079760544 /nfs/dbraw/zinc/76/05/44/1079760544.db2.gz XAPSTLSALJSRLJ-CQSZACIVSA-N 0 1 353.809 4.006 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(OC(F)(F)F)cc3)[nH]c21 ZINC000605363143 1079768554 /nfs/dbraw/zinc/76/85/54/1079768554.db2.gz LDDRSZMWTGIXKF-CYBMUJFWSA-N 0 1 359.307 4.260 20 30 FIEDMN COc1ccccc1CN(C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000179589396 1080206362 /nfs/dbraw/zinc/20/63/62/1080206362.db2.gz HKRGVDLIMJVKNC-UHFFFAOYSA-N 0 1 354.450 4.018 20 30 FIEDMN Cc1cc(O)cc2c1C(=O)C(=NNCc1ccc(-c3ccccc3)cc1)O2 ZINC000748085539 1080221599 /nfs/dbraw/zinc/22/15/99/1080221599.db2.gz HDGKUVAIQMLXTO-UHFFFAOYSA-N 0 1 358.397 4.046 20 30 FIEDMN N#CC(C(=O)CCSc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000120614170 1080321497 /nfs/dbraw/zinc/32/14/97/1080321497.db2.gz YTUNACCTYCURSR-OAHLLOKOSA-N 0 1 374.897 4.017 20 30 FIEDMN C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C#N ZINC000043302884 1080718734 /nfs/dbraw/zinc/71/87/34/1080718734.db2.gz HORPNBOTJMCSTG-QWHCGFSZSA-N 0 1 361.367 4.255 20 30 FIEDMN N#Cc1c(CN2CCC(c3c[nH]c4ncccc34)CC2)cn2ccccc12 ZINC000118837673 1081207162 /nfs/dbraw/zinc/20/71/62/1081207162.db2.gz WYFXIZYKOPVKOD-UHFFFAOYSA-N 0 1 355.445 4.067 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccco2)s1)c1ccc(C(F)(F)F)cn1 ZINC000510309434 1081433485 /nfs/dbraw/zinc/43/34/85/1081433485.db2.gz GBRQFMIQOIRYDU-JTQLQIEISA-N 0 1 363.320 4.307 20 30 FIEDMN COc1cccc(Oc2ccc(CNCc3cc(C#N)cs3)cn2)c1 ZINC000177686667 1081530897 /nfs/dbraw/zinc/53/08/97/1081530897.db2.gz LSQPQJCXAVRDAQ-UHFFFAOYSA-N 0 1 351.431 4.105 20 30 FIEDMN Cc1nc(-c2ccc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)cc2)n[nH]1 ZINC000581347053 1082482660 /nfs/dbraw/zinc/48/26/60/1082482660.db2.gz ZCHFXRRLUJSOBJ-CQSZACIVSA-N 0 1 365.462 4.024 20 30 FIEDMN C=CCOc1cccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000510404289 1082507910 /nfs/dbraw/zinc/50/79/10/1082507910.db2.gz NNCCKKXBDUHDIW-LJQANCHMSA-N 0 1 369.465 4.193 20 30 FIEDMN CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000430596989 1082553233 /nfs/dbraw/zinc/55/32/33/1082553233.db2.gz KPPILIFKRUZANP-JTQLQIEISA-N 0 1 353.369 4.344 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000430596989 1082553236 /nfs/dbraw/zinc/55/32/36/1082553236.db2.gz KPPILIFKRUZANP-JTQLQIEISA-N 0 1 353.369 4.344 20 30 FIEDMN CCCNC(=O)c1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430616034 1082692567 /nfs/dbraw/zinc/69/25/67/1082692567.db2.gz FEPJNNUUIIKJDO-HNNXBMFYSA-N 0 1 369.490 4.070 20 30 FIEDMN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000255338672 1082756458 /nfs/dbraw/zinc/75/64/58/1082756458.db2.gz WHHVQIKWSVOGOH-DDGIKZQJSA-N 0 1 366.833 4.143 20 30 FIEDMN CC(C)[C@H](NCc1ccc(N(C)CCC#N)cc1)c1nc2ccccc2[nH]1 ZINC000078420797 1082820426 /nfs/dbraw/zinc/82/04/26/1082820426.db2.gz ZCLYJTCBRJFSMA-NRFANRHFSA-N 0 1 361.493 4.400 20 30 FIEDMN Cc1cccc2nc(CCC(=O)N(Cc3ccc(C#N)cc3)C(C)C)[nH]c21 ZINC000175923323 1082847378 /nfs/dbraw/zinc/84/73/78/1082847378.db2.gz NDSMKWLHXGFIRZ-UHFFFAOYSA-N 0 1 360.461 4.113 20 30 FIEDMN N#CC(C(=O)NCc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000155745562 1082872591 /nfs/dbraw/zinc/87/25/91/1082872591.db2.gz ARDLQCXOZIXQKV-CYBMUJFWSA-N 0 1 369.396 4.012 20 30 FIEDMN CCOc1ccc2c(c1)[C@H](NCc1cccc(OCCCC#N)c1)CCO2 ZINC000187545826 1083029587 /nfs/dbraw/zinc/02/95/87/1083029587.db2.gz DJEBFLCCFOKMOT-OAQYLSRUSA-N 0 1 366.461 4.381 20 30 FIEDMN C=CCn1c(SCc2n[nH]c(C(C)(C)C)n2)nnc1-c1ccccc1C ZINC000430987131 1083288920 /nfs/dbraw/zinc/28/89/20/1083288920.db2.gz FWSDRTGREOYHCC-UHFFFAOYSA-N 0 1 368.510 4.147 20 30 FIEDMN Cc1[nH]ncc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000510752098 1083291005 /nfs/dbraw/zinc/29/10/05/1083291005.db2.gz MNSBUCAKWQAJQS-UHFFFAOYSA-N 0 1 361.405 4.012 20 30 FIEDMN N#C[C@@H](C(=O)c1csc(N2CCCCC2)n1)c1ccc2ccccc2n1 ZINC000892427622 1083364850 /nfs/dbraw/zinc/36/48/50/1083364850.db2.gz PBNYCVIZSRCTHE-OAHLLOKOSA-N 0 1 362.458 4.172 20 30 FIEDMN N#CC(C(=O)c1csc(N2CCCCC2)n1)c1ccc2ccccc2n1 ZINC000892427622 1083364861 /nfs/dbraw/zinc/36/48/61/1083364861.db2.gz PBNYCVIZSRCTHE-OAHLLOKOSA-N 0 1 362.458 4.172 20 30 FIEDMN Cc1ccc(-c2ccc(C(=O)C(C#N)c3nc(C4CC4)cs3)cc2)nn1 ZINC000647380333 1083378262 /nfs/dbraw/zinc/37/82/62/1083378262.db2.gz DFLMQSGMRBDHAD-MRXNPFEDSA-N 0 1 360.442 4.276 20 30 FIEDMN COc1ccc2c(c1)CN(Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000092507630 1083420534 /nfs/dbraw/zinc/42/05/34/1083420534.db2.gz PPDHBLQYEOUWNL-UHFFFAOYSA-N 0 1 372.472 4.031 20 30 FIEDMN O=C1OCCN1c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000255754126 1083468737 /nfs/dbraw/zinc/46/87/37/1083468737.db2.gz HTPYMNGOSPYOJQ-UHFFFAOYSA-N 0 1 351.189 4.406 20 30 FIEDMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cccc(OCCCC#N)c1 ZINC000093889156 1083502773 /nfs/dbraw/zinc/50/27/73/1083502773.db2.gz PRGOCSKGVHGVLT-MRDQGFSESA-N 0 1 370.518 4.300 20 30 FIEDMN CCOc1ccccc1[C@@H](CC)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000179734621 1083610688 /nfs/dbraw/zinc/61/06/88/1083610688.db2.gz GRJGYVCIZNSBCK-CRAIPNDOSA-N 0 1 351.450 4.025 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)c2occc2CSc2ccccc2)c1 ZINC000179734158 1083612270 /nfs/dbraw/zinc/61/22/70/1083612270.db2.gz UTUHVBZHTLBWEL-UHFFFAOYSA-N 0 1 350.399 4.401 20 30 FIEDMN CC(C)c1ccc(NC(=O)C[C@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000610811751 1083720977 /nfs/dbraw/zinc/72/09/77/1083720977.db2.gz QLXXUKHVEYICRQ-HNNXBMFYSA-N 0 1 353.441 4.328 20 30 FIEDMN CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000610812824 1083731190 /nfs/dbraw/zinc/73/11/90/1083731190.db2.gz TYIMQFBOOJNOFC-CQSZACIVSA-N 0 1 354.429 4.078 20 30 FIEDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000375931178 1083813614 /nfs/dbraw/zinc/81/36/14/1083813614.db2.gz BGQXNVILPAQMMQ-UHFFFAOYSA-N 0 1 370.456 4.277 20 30 FIEDMN N#C[C@@H](C(=O)c1ccnn1-c1ccccc1)c1nc2cc(F)ccc2s1 ZINC000684631603 1083926847 /nfs/dbraw/zinc/92/68/47/1083926847.db2.gz KMPWEPHTHBARDR-AWEZNQCLSA-N 0 1 362.389 4.111 20 30 FIEDMN N#CC(C(=O)c1ccnn1-c1ccccc1)c1nc2cc(F)ccc2s1 ZINC000684631603 1083926854 /nfs/dbraw/zinc/92/68/54/1083926854.db2.gz KMPWEPHTHBARDR-AWEZNQCLSA-N 0 1 362.389 4.111 20 30 FIEDMN CC(=NNc1ccc(Br)cc1F)c1ccc(-n2cncn2)cc1 ZINC000728432970 1084084139 /nfs/dbraw/zinc/08/41/39/1084084139.db2.gz LKVIBKIUNUEUTC-UHFFFAOYSA-N 0 1 374.217 4.005 20 30 FIEDMN COc1ccc(CN=Nc2ccc(Br)cc2F)cc1OC ZINC000728432367 1084092082 /nfs/dbraw/zinc/09/20/82/1084092082.db2.gz OKZVOTVWSQVZJU-UHFFFAOYSA-N 0 1 353.191 4.051 20 30 FIEDMN C=CCOc1ccc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cc1OC ZINC000161586225 1084143947 /nfs/dbraw/zinc/14/39/47/1084143947.db2.gz PLIIYUOYXASQCV-UHFFFAOYSA-N 0 1 367.405 4.112 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(Cl)c(C#N)c3)[nH]c2c1 ZINC000538684800 1084168101 /nfs/dbraw/zinc/16/81/01/1084168101.db2.gz SNXWNAUNRLZZJR-SFHVURJKSA-N 0 1 364.836 4.374 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)C=Cc3ccccc3C#N)[nH]c2c1 ZINC000255880921 1084332055 /nfs/dbraw/zinc/33/20/55/1084332055.db2.gz VVYUSUMMIADBOB-YBNHLDJLSA-N 0 1 356.429 4.120 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000180093049 1084341739 /nfs/dbraw/zinc/34/17/39/1084341739.db2.gz DZXDWJUKVJIYEL-INIZCTEOSA-N 0 1 368.477 4.461 20 30 FIEDMN COc1cccc([C@H](C)N2CCN(c3ccc(Cl)cc3C#N)CC2)c1 ZINC000511435567 1084396524 /nfs/dbraw/zinc/39/65/24/1084396524.db2.gz DMCPJGQOJYEAQZ-HNNXBMFYSA-N 0 1 355.869 4.103 20 30 FIEDMN N#CC(C(=O)C[C@@H]1CCC2(CCC2)CO1)c1nc2ccccc2n1C(F)F ZINC000892537543 1084542373 /nfs/dbraw/zinc/54/23/73/1084542373.db2.gz DYVTYJQHPHAECP-KBPBESRZSA-N 0 1 373.403 4.347 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2csc(-c3ccc(Cl)s3)n2)nc(C)n1 ZINC000066506425 1084572513 /nfs/dbraw/zinc/57/25/13/1084572513.db2.gz NVPPGZKLSYQZGK-JTQLQIEISA-N 0 1 374.878 4.422 20 30 FIEDMN N#Cc1cccc(C2(NCc3cccc(OCc4ccccn4)c3)CC2)c1 ZINC000551228148 1084576090 /nfs/dbraw/zinc/57/60/90/1084576090.db2.gz RCEJGVVXBMMPRJ-UHFFFAOYSA-N 0 1 355.441 4.311 20 30 FIEDMN CCSc1ccc([C@@H](C)N[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000434873462 1084619122 /nfs/dbraw/zinc/61/91/22/1084619122.db2.gz JWHDRKOIYQJJMO-CXAGYDPISA-N 0 1 371.531 4.188 20 30 FIEDMN CC[C@H](C)[C@H](OC)C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000796660919 1084706468 /nfs/dbraw/zinc/70/64/68/1084706468.db2.gz GNSRXYFAOGIGMS-PNPHSEOMSA-N 0 1 358.463 4.056 20 30 FIEDMN C[C@@H](c1cccc(C#N)c1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000187731500 1084843161 /nfs/dbraw/zinc/84/31/61/1084843161.db2.gz HCNFHWUYKLDBRQ-INIZCTEOSA-N 0 1 367.880 4.121 20 30 FIEDMN Cc1cc(Br)cc(C)c1NC(=O)CCCN(C)[C@H](C)CC#N ZINC000611667606 1085284288 /nfs/dbraw/zinc/28/42/88/1085284288.db2.gz XBPKIODBQOAGDN-CQSZACIVSA-N 0 1 366.303 4.019 20 30 FIEDMN CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCc2ccccc2C1 ZINC000472249193 1085509065 /nfs/dbraw/zinc/50/90/65/1085509065.db2.gz OTORMMIBXOBUMX-FQEVSTJZSA-N 0 1 371.484 4.227 20 30 FIEDMN C[C@@H](C1CC1)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000075636860 1085534589 /nfs/dbraw/zinc/53/45/89/1085534589.db2.gz FVXKRDYOGCWJKA-INIZCTEOSA-N 0 1 358.445 4.409 20 30 FIEDMN C[C@@H](C1CC1)N(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000075636860 1085534597 /nfs/dbraw/zinc/53/45/97/1085534597.db2.gz FVXKRDYOGCWJKA-INIZCTEOSA-N 0 1 358.445 4.409 20 30 FIEDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)CCOc1cccc(C#N)c1 ZINC000065604297 1085663171 /nfs/dbraw/zinc/66/31/71/1085663171.db2.gz UBDWKENKBJVJPD-UHFFFAOYSA-N 0 1 374.488 4.180 20 30 FIEDMN CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CC[C@@H]1c1ccccc1 ZINC000472256835 1085691031 /nfs/dbraw/zinc/69/10/31/1085691031.db2.gz KMRIIDGFXGBKAW-OPYAIIAOSA-N 0 1 361.489 4.401 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)nc(C)n1 ZINC000051898174 1085701339 /nfs/dbraw/zinc/70/13/39/1085701339.db2.gz SLYLIXGGDGCINP-CYBMUJFWSA-N 0 1 368.849 4.360 20 30 FIEDMN FC(F)Oc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000237861528 1085947576 /nfs/dbraw/zinc/94/75/76/1085947576.db2.gz ZUGYWANUQWKACK-UHFFFAOYSA-N 0 1 355.306 4.448 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OC)c(OC)c1Br ZINC000662078080 1086104679 /nfs/dbraw/zinc/10/46/79/1086104679.db2.gz ADRRVWLPPHGLJR-OKILXGFUSA-N 0 1 352.272 4.149 20 30 FIEDMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCc1cccc(C#N)c1 ZINC000066971962 1086606523 /nfs/dbraw/zinc/60/65/23/1086606523.db2.gz IYMNLHQZKCQWKV-UHFFFAOYSA-N 0 1 350.853 4.304 20 30 FIEDMN N#Cc1ccc2ncc(CNC3(c4ccc(Cl)c(Cl)c4)CC3)n2c1 ZINC000585766850 1086694341 /nfs/dbraw/zinc/69/43/41/1086694341.db2.gz GMLZHZLNAXFZGO-UHFFFAOYSA-N 0 1 357.244 4.292 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1sccc1SC(F)F ZINC000107407969 1086799048 /nfs/dbraw/zinc/79/90/48/1086799048.db2.gz IEWYOPZEVRZMFF-SECBINFHSA-N 0 1 363.414 4.440 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1sccc1SC(F)F ZINC000107407969 1086799051 /nfs/dbraw/zinc/79/90/51/1086799051.db2.gz IEWYOPZEVRZMFF-SECBINFHSA-N 0 1 363.414 4.440 20 30 FIEDMN Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)c(OC[C@H]2CCOC2)c1 ZINC000583782008 1086960272 /nfs/dbraw/zinc/96/02/72/1086960272.db2.gz NUXUOQQBFRWHHD-AVRDEDQJSA-N 0 1 362.473 4.059 20 30 FIEDMN C=CCC[C@@H](NC(=O)[C@H](C)Cc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000583881033 1087009672 /nfs/dbraw/zinc/00/96/72/1087009672.db2.gz QCGZLZGEKIQZDJ-CXAGYDPISA-N 0 1 365.399 4.431 20 30 FIEDMN COc1ccc(C[C@@H](NC[C@H](C#N)CCC#N)c2ccccc2)cc1OC ZINC000584167669 1087198416 /nfs/dbraw/zinc/19/84/16/1087198416.db2.gz CJQAZTNQHZBXRF-AZUAARDMSA-N 0 1 363.461 4.021 20 30 FIEDMN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000611833831 1087297729 /nfs/dbraw/zinc/29/77/29/1087297729.db2.gz XNYCTZHBDPKQCE-LJQANCHMSA-N 0 1 368.481 4.020 20 30 FIEDMN CCCCc1nc2ccc(NC(=O)c3ncc(C#N)cc3Cl)cc2[nH]1 ZINC000431578862 1087552548 /nfs/dbraw/zinc/55/25/48/1087552548.db2.gz MHLPDYCVRVMVBO-UHFFFAOYSA-N 0 1 353.813 4.078 20 30 FIEDMN Cc1ccc(C2CCN(Cc3ccc(C#N)cc3Br)CC2)cn1 ZINC000611942096 1087599007 /nfs/dbraw/zinc/59/90/07/1087599007.db2.gz YAUDOHMFYNNPSS-UHFFFAOYSA-N 0 1 370.294 4.404 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](Cc3ccccc3)[C@H]2C)c(C#N)c1C ZINC000472347479 1087662377 /nfs/dbraw/zinc/66/23/77/1087662377.db2.gz YRYYVTKCNVHZHU-GJYPPUQNSA-N 0 1 365.477 4.048 20 30 FIEDMN CCN(CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)C1CC1 ZINC000505111880 1088167922 /nfs/dbraw/zinc/16/79/22/1088167922.db2.gz BAMNMQNTDHXGRF-UHFFFAOYSA-N 0 1 365.452 4.023 20 30 FIEDMN C=CCCn1cc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)nn1 ZINC000424718096 1088176460 /nfs/dbraw/zinc/17/64/60/1088176460.db2.gz XAEBJIRDYMZCSA-UHFFFAOYSA-N 0 1 364.453 4.031 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180958948 1088193030 /nfs/dbraw/zinc/19/30/30/1088193030.db2.gz XMOXPTCNNLLRJT-CYBMUJFWSA-N 0 1 364.367 4.359 20 30 FIEDMN CC(C)C[C@@H](N)c1noc(-c2cccc(COc3cccc(C#N)c3)c2)n1 ZINC000414612332 1088868410 /nfs/dbraw/zinc/86/84/10/1088868410.db2.gz DNIOTEJNNHVXQC-LJQANCHMSA-N 0 1 362.433 4.233 20 30 FIEDMN CC(C)C[C@H](N)c1noc(-c2cccc(OCc3ccccc3C#N)c2)n1 ZINC000414627585 1088910815 /nfs/dbraw/zinc/91/08/15/1088910815.db2.gz ZJGFXUYMTRVULY-IBGZPJMESA-N 0 1 362.433 4.233 20 30 FIEDMN CN(Cc1cccc2ccccc21)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434653927 1088917431 /nfs/dbraw/zinc/91/74/31/1088917431.db2.gz CKSYFAHWKJJPAF-LJQANCHMSA-N 0 1 361.470 4.010 20 30 FIEDMN N#Cc1c(CSc2n[nH]c(CCC3CCCC3)n2)cn2ccccc12 ZINC000514337161 1089013217 /nfs/dbraw/zinc/01/32/17/1089013217.db2.gz DODZUODQHMDUCH-UHFFFAOYSA-N 0 1 351.479 4.344 20 30 FIEDMN N#Cc1c(CSc2nc(CCC3CCCC3)n[nH]2)cn2ccccc12 ZINC000514337161 1089013235 /nfs/dbraw/zinc/01/32/35/1089013235.db2.gz DODZUODQHMDUCH-UHFFFAOYSA-N 0 1 351.479 4.344 20 30 FIEDMN C=CCc1cc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc(OC)c1O ZINC000434986299 1089184628 /nfs/dbraw/zinc/18/46/28/1089184628.db2.gz GKSPVVOBBUDNQQ-FQEVSTJZSA-N 0 1 353.462 4.475 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC(=O)N1CCC[C@@H]1c1ccsc1)CC2 ZINC000330112354 1089414329 /nfs/dbraw/zinc/41/43/29/1089414329.db2.gz RSOGPKFIKPTRMK-IAGOWNOFSA-N 0 1 358.511 4.134 20 30 FIEDMN COc1cc(OC)cc(C2(F)CCN(Cc3cc(C#N)cs3)CC2)c1 ZINC000549406764 1090251078 /nfs/dbraw/zinc/25/10/78/1090251078.db2.gz OQKOETPXOGGVPE-UHFFFAOYSA-N 0 1 360.454 4.098 20 30 FIEDMN Cn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000728775955 1090908934 /nfs/dbraw/zinc/90/89/34/1090908934.db2.gz GESQTIRPXSRMQJ-UHFFFAOYSA-N 0 1 361.361 4.188 20 30 FIEDMN N#Cc1c(Cl)nsc1Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000092585102 1091015673 /nfs/dbraw/zinc/01/56/73/1091015673.db2.gz UCQRNPXKARRACK-UHFFFAOYSA-N 0 1 354.247 4.258 20 30 FIEDMN C=CCOc1cccc(NC(=O)c2ccc(CN3CCSCC3)cc2)c1 ZINC000511653479 1091020384 /nfs/dbraw/zinc/02/03/84/1091020384.db2.gz FSDCBGWSAGWBFL-UHFFFAOYSA-N 0 1 368.502 4.053 20 30 FIEDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418139182 1091078590 /nfs/dbraw/zinc/07/85/90/1091078590.db2.gz DTUZIXSQYYDQFR-LJQANCHMSA-N 0 1 351.406 4.032 20 30 FIEDMN CSc1ccc([C@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000500229112 1091123128 /nfs/dbraw/zinc/12/31/28/1091123128.db2.gz FLYATLFAYUFGCG-LBPRGKRZSA-N 0 1 359.882 4.223 20 30 FIEDMN C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Br)cc1C ZINC000512200653 1091902176 /nfs/dbraw/zinc/90/21/76/1091902176.db2.gz XAWSVAWWEOFZBA-UHFFFAOYSA-N 0 1 364.283 4.421 20 30 FIEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(Br)cc1C ZINC000512200653 1091902177 /nfs/dbraw/zinc/90/21/77/1091902177.db2.gz XAWSVAWWEOFZBA-UHFFFAOYSA-N 0 1 364.283 4.421 20 30 FIEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@]2(CC=CCC2)C1 ZINC000512208872 1091911252 /nfs/dbraw/zinc/91/12/52/1091911252.db2.gz IOBRANWZDMXUKC-BTYIYWSLSA-N 0 1 369.534 4.258 20 30 FIEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(Br)c(C)c1 ZINC000512221424 1091926089 /nfs/dbraw/zinc/92/60/89/1091926089.db2.gz YKTOFNDGRPCVBJ-UHFFFAOYSA-N 0 1 364.283 4.421 20 30 FIEDMN CC(C)(C#N)c1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1 ZINC000279739285 1091998055 /nfs/dbraw/zinc/99/80/55/1091998055.db2.gz XBSHBVAIZWCPFZ-IBGZPJMESA-N 0 1 374.444 4.468 20 30 FIEDMN Cc1ccc(OCC(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1C ZINC000128849240 1092501825 /nfs/dbraw/zinc/50/18/25/1092501825.db2.gz PNRKJRTZHIZXGJ-KRWDZBQOSA-N 0 1 363.442 4.077 20 30 FIEDMN C[C@@](CO)(NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 ZINC000237655340 1092522627 /nfs/dbraw/zinc/52/26/27/1092522627.db2.gz FROSYROXFNTXJA-DEOSSOPVSA-N 0 1 372.468 4.135 20 30 FIEDMN CCC[C@@H](CC(C)C)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000410688030 1092635979 /nfs/dbraw/zinc/63/59/79/1092635979.db2.gz OPPXVTMIFXXLLJ-FQEVSTJZSA-N 0 1 355.526 4.123 20 30 FIEDMN C[C@H](c1ccc(OC(F)F)cc1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000521373069 1092665825 /nfs/dbraw/zinc/66/58/25/1092665825.db2.gz NRNWIVDUAOIITP-OAHLLOKOSA-N 0 1 357.404 4.301 20 30 FIEDMN Cc1cc(C(=O)N=c2[nH]n(C(C)(C)C)cc2C#N)sc1-c1ccccc1 ZINC000521456906 1092696196 /nfs/dbraw/zinc/69/61/96/1092696196.db2.gz JQQINTODASPCOL-UHFFFAOYSA-N 0 1 364.474 4.221 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cc(Br)ccc3C)[nH]c21 ZINC000442730912 1092739774 /nfs/dbraw/zinc/73/97/74/1092739774.db2.gz PTLPBWYVBNEBOE-CQSZACIVSA-N 0 1 368.234 4.432 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cccc(COC3CCCCC3)c2)cc1O ZINC000442938385 1092874442 /nfs/dbraw/zinc/87/44/42/1092874442.db2.gz GVXNPRIQTWDNRO-UHFFFAOYSA-N 0 1 350.418 4.365 20 30 FIEDMN N#CCCOCCN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000521915588 1092977529 /nfs/dbraw/zinc/97/75/29/1092977529.db2.gz APUGCWVGSIAUQT-ZDUSSCGKSA-N 0 1 354.294 4.219 20 30 FIEDMN C[C@H]1C[C@@H]1c1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000512595768 1092977640 /nfs/dbraw/zinc/97/76/40/1092977640.db2.gz VMTNAUDRDMIYAY-YWZLYKJASA-N 0 1 363.461 4.125 20 30 FIEDMN CCCCNC(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512640737 1093064977 /nfs/dbraw/zinc/06/49/77/1093064977.db2.gz AEBXRLIZCJTDSP-OAHLLOKOSA-N 0 1 353.441 4.078 20 30 FIEDMN COc1cc(F)c([C@@H](C)NCc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000614179571 1093073679 /nfs/dbraw/zinc/07/36/79/1093073679.db2.gz SIQXSNASFRSSTJ-CQSZACIVSA-N 0 1 356.441 4.495 20 30 FIEDMN C[C@H](NCc1cccc(COC2CCOCC2)c1)c1ccc(C#N)cc1F ZINC000512655310 1093083560 /nfs/dbraw/zinc/08/35/60/1093083560.db2.gz SWPXEGQFXQLGOG-INIZCTEOSA-N 0 1 368.452 4.244 20 30 FIEDMN CC(C)(C#N)c1ccc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1 ZINC000443404475 1093107539 /nfs/dbraw/zinc/10/75/39/1093107539.db2.gz SJYQVKOBNJLKDK-UHFFFAOYSA-N 0 1 370.474 4.002 20 30 FIEDMN COc1ccc(CN2CC3(CCCC3)OC(C)(C)C2)cc1OCCCC#N ZINC000191225863 1093121568 /nfs/dbraw/zinc/12/15/68/1093121568.db2.gz RNZKZIPFNJSSRA-UHFFFAOYSA-N 0 1 372.509 4.301 20 30 FIEDMN N#Cc1ccc(Cl)c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000512696567 1093149738 /nfs/dbraw/zinc/14/97/38/1093149738.db2.gz BIZDCRIJZAMTDW-UHFFFAOYSA-N 0 1 373.803 4.402 20 30 FIEDMN N#Cc1cccc(NC2CCN(Cc3ccccc3Br)CC2)c1 ZINC000512777805 1093328363 /nfs/dbraw/zinc/32/83/63/1093328363.db2.gz IZYVMTWCNOTYDT-UHFFFAOYSA-N 0 1 370.294 4.397 20 30 FIEDMN Cc1ccc(C(=O)CCN2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512806120 1093368368 /nfs/dbraw/zinc/36/83/68/1093368368.db2.gz QVZLTGFEJGZXEG-UHFFFAOYSA-N 0 1 366.436 4.122 20 30 FIEDMN N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3cncn3c2)cc1 ZINC000550548734 1093377418 /nfs/dbraw/zinc/37/74/18/1093377418.db2.gz ZEXFTAMDANZPLS-UHFFFAOYSA-N 0 1 354.369 4.251 20 30 FIEDMN CCn1c(C)cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c1C ZINC000114620570 1093660048 /nfs/dbraw/zinc/66/00/48/1093660048.db2.gz KUHOAEIKZMOKDG-INIZCTEOSA-N 0 1 350.447 4.133 20 30 FIEDMN N#CC(C(=O)c1cc2c(s1)CCC2)c1nc(-c2ccncc2)cs1 ZINC000114619636 1093660069 /nfs/dbraw/zinc/66/00/69/1093660069.db2.gz YAFLHOWAGTYZEW-CYBMUJFWSA-N 0 1 351.456 4.245 20 30 FIEDMN CCO[C@@H](C)C(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000729070715 1093926378 /nfs/dbraw/zinc/92/63/78/1093926378.db2.gz SXZGWNDPYMWVJM-UCLAKFIYSA-N 0 1 358.507 4.212 20 30 FIEDMN N#CC(C(=O)Cc1ccccc1Br)c1ccc2ccccc2n1 ZINC000729185436 1093941318 /nfs/dbraw/zinc/94/13/18/1093941318.db2.gz VPZNHMYCVICJQS-OAHLLOKOSA-N 0 1 365.230 4.416 20 30 FIEDMN COCCOCc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000576551804 1093949172 /nfs/dbraw/zinc/94/91/72/1093949172.db2.gz OMYNWFQFDQWXSF-XZOQPEGZSA-N 0 1 364.489 4.121 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000513209002 1094006805 /nfs/dbraw/zinc/00/68/05/1094006805.db2.gz DJWPIOGNKIZUJS-DOTOQJQBSA-N 0 1 369.534 4.358 20 30 FIEDMN C[C@@H]1C[C@H](c2ccccc2)N(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000513247623 1094028522 /nfs/dbraw/zinc/02/85/22/1094028522.db2.gz SZSOTMLMUCJOSM-VQIMIIECSA-N 0 1 365.502 4.324 20 30 FIEDMN N#Cc1ccc(N2CC[C@@H](NC(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000433726833 1094069855 /nfs/dbraw/zinc/06/98/55/1094069855.db2.gz KRMIBOCKDQXRIS-JOCHJYFZSA-N 0 1 367.452 4.043 20 30 FIEDMN CSc1ccc(Cl)cc1NS(=O)(=O)c1cc(C#N)ccc1C ZINC000513393130 1094094488 /nfs/dbraw/zinc/09/44/88/1094094488.db2.gz ADCYBLIRJPQGMS-UHFFFAOYSA-N 0 1 352.868 4.043 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2cc3ccccc3o2)c(C#N)c1C ZINC000182630595 1094140542 /nfs/dbraw/zinc/14/05/42/1094140542.db2.gz TYRHVGXNKWQWFQ-OLZOCXBDSA-N 0 1 351.406 4.192 20 30 FIEDMN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)s1 ZINC000182732738 1094162958 /nfs/dbraw/zinc/16/29/58/1094162958.db2.gz RJKYFJCEMUZMPF-DOMZBBRYSA-N 0 1 359.882 4.119 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)c(Cl)c1 ZINC000183067880 1094274187 /nfs/dbraw/zinc/27/41/87/1094274187.db2.gz JRHUCAWSIUCXHY-UHFFFAOYSA-N 0 1 374.771 4.117 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)c(Cl)c1 ZINC000183077256 1094279090 /nfs/dbraw/zinc/27/90/90/1094279090.db2.gz IWCUIECDJZLHHY-UHFFFAOYSA-N 0 1 374.771 4.117 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1 ZINC000041516230 1094641001 /nfs/dbraw/zinc/64/10/01/1094641001.db2.gz SKSVDUIJUAWSKR-QGZVFWFLSA-N 0 1 364.401 4.312 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1 ZINC000041516230 1094641015 /nfs/dbraw/zinc/64/10/15/1094641015.db2.gz SKSVDUIJUAWSKR-QGZVFWFLSA-N 0 1 364.401 4.312 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000102699936 1094656824 /nfs/dbraw/zinc/65/68/24/1094656824.db2.gz GYDANBFKCDTLEH-CQSZACIVSA-N 0 1 374.481 4.402 20 30 FIEDMN Cc1cc(C2CC[NH+]([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n[nH]1 ZINC000329147245 1094755527 /nfs/dbraw/zinc/75/55/27/1094755527.db2.gz AVZCVRRJGIJIHB-BZSISCHUSA-N 0 1 370.541 4.211 20 30 FIEDMN Cc1cc(C2CCN([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n[nH]1 ZINC000329147245 1094755529 /nfs/dbraw/zinc/75/55/29/1094755529.db2.gz AVZCVRRJGIJIHB-BZSISCHUSA-N 0 1 370.541 4.211 20 30 FIEDMN Cc1cc(C2CCN([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)[nH]n1 ZINC000329147245 1094755538 /nfs/dbraw/zinc/75/55/38/1094755538.db2.gz AVZCVRRJGIJIHB-BZSISCHUSA-N 0 1 370.541 4.211 20 30 FIEDMN N#Cc1ccc(OC2CCN(Cc3cc4cc(F)ccc4o3)CC2)cc1 ZINC000513717122 1094789925 /nfs/dbraw/zinc/78/99/25/1094789925.db2.gz LGFGADDIDCCUJL-UHFFFAOYSA-N 0 1 350.393 4.487 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3CCCc4ccc(C)cc43)C2)n[nH]1 ZINC000329319737 1094838224 /nfs/dbraw/zinc/83/82/24/1094838224.db2.gz TXECSTCXPOEDCS-MJGOQNOKSA-N 0 1 352.482 4.198 20 30 FIEDMN C[C@@H](C(=O)NC1CCC(C)CC1)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000329336359 1094847580 /nfs/dbraw/zinc/84/75/80/1094847580.db2.gz LSLASLDNENBXIL-DHRZBBNESA-N 0 1 354.498 4.207 20 30 FIEDMN O=C(CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1)Nc1ccccc1 ZINC000329433914 1094904307 /nfs/dbraw/zinc/90/43/07/1094904307.db2.gz JBKIUCOYVNQAPZ-QGZVFWFLSA-N 0 1 367.497 4.320 20 30 FIEDMN Cc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cnn1C1CCCCC1 ZINC000329516864 1094947945 /nfs/dbraw/zinc/94/79/45/1094947945.db2.gz PAJRJIIYYCLLHR-LJQANCHMSA-N 0 1 366.509 4.276 20 30 FIEDMN C=CC[C@H]1N(C(=O)c2ccc(CN3CCSCC3)cc2)CCCC1(C)C ZINC000443870573 1095151122 /nfs/dbraw/zinc/15/11/22/1095151122.db2.gz TYOLOHLRCIBUTQ-HXUWFJFHSA-N 0 1 372.578 4.442 20 30 FIEDMN COc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c(OC(F)F)c1 ZINC000475027602 1095201709 /nfs/dbraw/zinc/20/17/09/1095201709.db2.gz CPGXTDQTVKSPBJ-GFCCVEGCSA-N 0 1 374.368 4.396 20 30 FIEDMN COc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)c(OC(F)F)c1 ZINC000475027602 1095201718 /nfs/dbraw/zinc/20/17/18/1095201718.db2.gz CPGXTDQTVKSPBJ-GFCCVEGCSA-N 0 1 374.368 4.396 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C2CCCC2)C1 ZINC000420963465 1095203961 /nfs/dbraw/zinc/20/39/61/1095203961.db2.gz NOJZWNUMHUFSOJ-WMZOPIPTSA-N 0 1 371.550 4.389 20 30 FIEDMN O=C(Nc1cccc(Cl)c1O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329734956 1095241213 /nfs/dbraw/zinc/24/12/13/1095241213.db2.gz KPJCGOMTXPLWOL-WQVCFCJDSA-N 0 1 372.856 4.261 20 30 FIEDMN CC(C)(C)CN1CCC[C@H](N2CCC(C(=O)Nc3ccccc3)CC2)C1=O ZINC000329744695 1095246965 /nfs/dbraw/zinc/24/69/65/1095246965.db2.gz QVQDOFQYKGEJTD-IBGZPJMESA-N 0 1 371.525 4.024 20 30 FIEDMN [O-]C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)=[NH+][C@@H]1CCc2ccccc2C1 ZINC000329803688 1095271134 /nfs/dbraw/zinc/27/11/34/1095271134.db2.gz ZSPOHFUNWWAASM-NJYVYQBISA-N 0 1 368.452 4.107 20 30 FIEDMN [O-]C(N[C@@H]1CCc2ccccc2C1)=[NH+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000329803688 1095271145 /nfs/dbraw/zinc/27/11/45/1095271145.db2.gz ZSPOHFUNWWAASM-NJYVYQBISA-N 0 1 368.452 4.107 20 30 FIEDMN Cc1ccc2nc(CNC(=O)C3CCC(NC(=O)C4CC4)CC3)[nH]c2c1 ZINC000330015763 1095351454 /nfs/dbraw/zinc/35/14/54/1095351454.db2.gz OMXSYJSKVMIMKT-UHFFFAOYSA-N 0 1 354.454 4.253 20 30 FIEDMN O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000330069804 1095369600 /nfs/dbraw/zinc/36/96/00/1095369600.db2.gz HNSZXOHEUYKHFQ-HNNXBMFYSA-N 0 1 373.888 4.457 20 30 FIEDMN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H]1CCCc2cn[nH]c21 ZINC000330133182 1095389793 /nfs/dbraw/zinc/38/97/93/1095389793.db2.gz QZDGMVHDVKTOQI-BFKIHDCISA-N 0 1 370.497 4.307 20 30 FIEDMN O=C(COc1ccc2oc3c(c2c1)CCCC3)N[C@@H]1CCCc2cn[nH]c21 ZINC000330143509 1095392404 /nfs/dbraw/zinc/39/24/04/1095392404.db2.gz YWUYAIMYXXQNPJ-QGZVFWFLSA-N 0 1 365.433 4.448 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3CCCCC(F)(F)C3)C2)n[nH]1 ZINC000330196851 1095413287 /nfs/dbraw/zinc/41/32/87/1095413287.db2.gz QZAYCQGJSRMXRX-HUUCEWRRSA-N 0 1 354.445 4.027 20 30 FIEDMN O=C(N[C@@H]1CCCc2sc(Cl)cc21)N[C@H]1CCCc2cn[nH]c21 ZINC000330238685 1095429623 /nfs/dbraw/zinc/42/96/23/1095429623.db2.gz ZZDVFYSJVQGLSW-NEPJUHHUSA-N 0 1 350.875 4.083 20 30 FIEDMN Cc1cc(C)n(-c2ccc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc2)n1 ZINC000522829527 1095755773 /nfs/dbraw/zinc/75/57/73/1095755773.db2.gz JITXRJDOTSMPIC-GOSISDBHSA-N 0 1 369.428 4.164 20 30 FIEDMN N#Cc1ccc(CN[C@@H]2CCc3c2cc(Br)cc3F)s1 ZINC000421875375 1095970889 /nfs/dbraw/zinc/97/08/89/1095970889.db2.gz IYWUFUWMSHKNPT-OAHLLOKOSA-N 0 1 351.244 4.298 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000272523047 1096187781 /nfs/dbraw/zinc/18/77/81/1096187781.db2.gz LRVJLRFBJVNWPJ-UHFFFAOYSA-N 0 1 361.489 4.084 20 30 FIEDMN CC(C)(C)OC(=O)N1CCc2cccc(CN3CCC(C)(C#N)CC3)c21 ZINC000272569477 1096192242 /nfs/dbraw/zinc/19/22/42/1096192242.db2.gz VOLGSHFUBHYNQM-UHFFFAOYSA-N 0 1 355.482 4.110 20 30 FIEDMN Cc1cc(Br)cc(CNCC2(CC#N)CC2)c1OC(F)F ZINC000430067939 1096539288 /nfs/dbraw/zinc/53/92/88/1096539288.db2.gz QJWRMSNWGQUZKH-UHFFFAOYSA-N 0 1 359.214 4.142 20 30 FIEDMN CC[C@@H](N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000503953831 1096610706 /nfs/dbraw/zinc/61/07/06/1096610706.db2.gz RHIFVFYMJSMBFJ-YADHBBJMSA-N 0 1 357.457 4.202 20 30 FIEDMN C[C@@H]1CCN(CC(=O)Nc2ccccc2SCC#N)[C@@H]2CCCC[C@H]12 ZINC000532917962 1098607574 /nfs/dbraw/zinc/60/75/74/1098607574.db2.gz MCBPKXUZGBKGPY-JFIYKMOQSA-N 0 1 357.523 4.141 20 30 FIEDMN N#Cc1ccccc1NC(=O)CCN(Cc1ccco1)Cc1cccs1 ZINC000533222072 1098887696 /nfs/dbraw/zinc/88/76/96/1098887696.db2.gz DQTXYVGLBQJFLR-UHFFFAOYSA-N 0 1 365.458 4.244 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000533446825 1099072270 /nfs/dbraw/zinc/07/22/70/1099072270.db2.gz HODXMMFLVJTVJC-OAHLLOKOSA-N 0 1 374.419 4.195 20 30 FIEDMN COc1cc(Cl)c(CNCc2ccc(OCC#N)cc2)cc1Cl ZINC000179303164 1099625712 /nfs/dbraw/zinc/62/57/12/1099625712.db2.gz ZGYMHVQVNKNETP-UHFFFAOYSA-N 0 1 351.233 4.194 20 30 FIEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000437523359 1099967947 /nfs/dbraw/zinc/96/79/47/1099967947.db2.gz KIKYNIFGUCCSGB-UGSOOPFHSA-N 0 1 367.474 4.002 20 30 FIEDMN CC[C@H](C)c1nc([C@H](C)Nc2cc(Br)c(C#N)cc2F)n[nH]1 ZINC000517041683 1100010196 /nfs/dbraw/zinc/01/01/96/1100010196.db2.gz XRBBFTUOTZECHU-IUCAKERBSA-N 0 1 366.238 4.265 20 30 FIEDMN C=CCCOCCNCc1cc(C(F)(F)F)ccc1Br ZINC000517060685 1100026669 /nfs/dbraw/zinc/02/66/69/1100026669.db2.gz NZJBFIAHCCRGJJ-UHFFFAOYSA-N 0 1 352.194 4.150 20 30 FIEDMN C=CCc1cc(CN(C)Cc2ccccc2N2CCCC2)cc(OC)c1O ZINC000506151231 1100258964 /nfs/dbraw/zinc/25/89/64/1100258964.db2.gz OAPIAABJEAJTPU-UHFFFAOYSA-N 0 1 366.505 4.362 20 30 FIEDMN CCN(CCNc1cccc(Br)c1C#N)CCC(F)(F)F ZINC000517792463 1100663412 /nfs/dbraw/zinc/66/34/12/1100663412.db2.gz UGVXXRHERXDNQS-UHFFFAOYSA-N 0 1 364.209 4.007 20 30 FIEDMN COc1cccc2c(C(=O)Nc3ccccc3SC[C@H](C)C#N)n[nH]c21 ZINC000518432935 1101200334 /nfs/dbraw/zinc/20/03/34/1101200334.db2.gz BUGKSFTXQKNZQN-GFCCVEGCSA-N 0 1 366.446 4.076 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(Cl)c1 ZINC000439440411 1101440652 /nfs/dbraw/zinc/44/06/52/1101440652.db2.gz PYHANIYPRQLRGF-QGZVFWFLSA-N 0 1 353.853 4.062 20 30 FIEDMN N#Cc1ccc(CN2CCC(OCCc3ccccc3)CC2)c(Cl)c1 ZINC000439458617 1101445892 /nfs/dbraw/zinc/44/58/92/1101445892.db2.gz SWPHFCNVTUZMAW-UHFFFAOYSA-N 0 1 354.881 4.435 20 30 FIEDMN CCOc1ccccc1[C@@H](CC(C)C)NCC(=O)NC1(C#N)CCCCC1 ZINC000537123725 1101469640 /nfs/dbraw/zinc/46/96/40/1101469640.db2.gz DHQOATVCRLWIHD-LJQANCHMSA-N 0 1 371.525 4.105 20 30 FIEDMN CSc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000439473491 1101474286 /nfs/dbraw/zinc/47/42/86/1101474286.db2.gz VVUVPDFFZYLLJY-CHWSQXEVSA-N 0 1 357.479 4.168 20 30 FIEDMN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1cccc(N2CCCC2=O)c1 ZINC000537109099 1101475602 /nfs/dbraw/zinc/47/56/02/1101475602.db2.gz XNURLHOWWPTWIN-MRXNPFEDSA-N 0 1 352.865 4.169 20 30 FIEDMN CSc1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000439479587 1101494494 /nfs/dbraw/zinc/49/44/94/1101494494.db2.gz ADGAVXKPZUSXNC-GFCCVEGCSA-N 0 1 359.882 4.223 20 30 FIEDMN COc1ccc(C[C@H](NCc2ccc(C#N)o2)c2ccccc2)cc1OC ZINC000537289458 1101610161 /nfs/dbraw/zinc/61/01/61/1101610161.db2.gz BPDOCHYXIYAACQ-FQEVSTJZSA-N 0 1 362.429 4.242 20 30 FIEDMN C[C@@H]1CN(Cc2ccc(CNc3c(Cl)cccc3C#N)cc2)C[C@H](C)O1 ZINC000518884679 1101702061 /nfs/dbraw/zinc/70/20/61/1101702061.db2.gz FMVSIGANEJKFSK-IYBDPMFKSA-N 0 1 369.896 4.433 20 30 FIEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000506661932 1101714332 /nfs/dbraw/zinc/71/43/32/1101714332.db2.gz PSYMHVVNJNYGBJ-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN C[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(C#N)c(F)c1 ZINC000537407923 1101755070 /nfs/dbraw/zinc/75/50/70/1101755070.db2.gz NRESFLBRHWRRFG-UGSOOPFHSA-N 0 1 371.843 4.197 20 30 FIEDMN COc1ccc(CN[C@@H]2CCOc3c(C)cccc32)cc1OCCCC#N ZINC000188876256 1101846033 /nfs/dbraw/zinc/84/60/33/1101846033.db2.gz DPUSWMFXTXQORS-LJQANCHMSA-N 0 1 366.461 4.300 20 30 FIEDMN CCc1ccccc1O[C@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760352363 1101934920 /nfs/dbraw/zinc/93/49/20/1101934920.db2.gz KVVSNILYFLJLRO-GCJKJVERSA-N 0 1 357.413 4.036 20 30 FIEDMN Cc1ccc2nc(-c3ccccc3)cc(C(=O)C(C#N)c3ccncn3)c2c1 ZINC000760356033 1101936206 /nfs/dbraw/zinc/93/62/06/1101936206.db2.gz FGHRUSGOJXPMCL-IBGZPJMESA-N 0 1 364.408 4.490 20 30 FIEDMN C[C@@H](c1ccccc1Cl)N(C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000519192811 1101988011 /nfs/dbraw/zinc/98/80/11/1101988011.db2.gz RPBJISDPLRXFFJ-YJBOKZPZSA-N 0 1 370.880 4.177 20 30 FIEDMN Cc1cccc(C)c1C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000897624331 1102007000 /nfs/dbraw/zinc/00/70/00/1102007000.db2.gz IKORAQHUVIMAMP-UHFFFAOYSA-N 0 1 359.477 4.108 20 30 FIEDMN C=CCC[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccccc1 ZINC000426617779 1102148628 /nfs/dbraw/zinc/14/86/28/1102148628.db2.gz BKKYYBNTDLJRGI-NHCUHLMSSA-N 0 1 354.469 4.295 20 30 FIEDMN Cc1cccnc1[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000120968161 1102290960 /nfs/dbraw/zinc/29/09/60/1102290960.db2.gz GPPQQHSLLFLONB-QUCCMNQESA-N 0 1 364.493 4.012 20 30 FIEDMN CCOC(=O)c1csc(C2CCN([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000191574344 1102317984 /nfs/dbraw/zinc/31/79/84/1102317984.db2.gz PYOPXXSUADZXOB-CQSZACIVSA-N 0 1 369.490 4.132 20 30 FIEDMN Cc1ccccc1C(NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1C ZINC000546181548 1102362676 /nfs/dbraw/zinc/36/26/76/1102362676.db2.gz YQKCOMZDJXJLHP-HSZRJFAPSA-N 0 1 363.505 4.037 20 30 FIEDMN N#Cc1cccc(C2(C(=O)Nc3ccc4nc(C5CCC5)[nH]c4c3)CC2)c1 ZINC000532532747 1102451791 /nfs/dbraw/zinc/45/17/91/1102451791.db2.gz ITCHBZKQXUHPDZ-UHFFFAOYSA-N 0 1 356.429 4.372 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1C1CCC1 ZINC000532559171 1102480600 /nfs/dbraw/zinc/48/06/00/1102480600.db2.gz NEFFYFULPNYYAI-MAUKXSAKSA-N 0 1 357.523 4.284 20 30 FIEDMN C[C@H](CCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O)OCc1ccccc1 ZINC000473676456 1102501255 /nfs/dbraw/zinc/50/12/55/1102501255.db2.gz OSYYOZJPCGKCCI-MRXNPFEDSA-N 0 1 355.482 4.338 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000122231591 1102547682 /nfs/dbraw/zinc/54/76/82/1102547682.db2.gz FIGJFDPFZZFYJV-HNNXBMFYSA-N 0 1 359.360 4.462 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000122231591 1102547694 /nfs/dbraw/zinc/54/76/94/1102547694.db2.gz FIGJFDPFZZFYJV-HNNXBMFYSA-N 0 1 359.360 4.462 20 30 FIEDMN CC(C)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)nn1C(C)(C)C ZINC000123055669 1102775016 /nfs/dbraw/zinc/77/50/16/1102775016.db2.gz GPLTYROEQHFXMD-AWEZNQCLSA-N 0 1 363.465 4.138 20 30 FIEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2sc3ccc(C#N)cc3c2C)n[nH]1 ZINC000506859583 1102896327 /nfs/dbraw/zinc/89/63/27/1102896327.db2.gz FRGJYNAGSBDODN-PWSUYJOCSA-N 0 1 367.478 4.204 20 30 FIEDMN C=C[C@H](CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)c1ccccc1 ZINC000123251393 1102915553 /nfs/dbraw/zinc/91/55/53/1102915553.db2.gz SVAJIKMOWHBDRU-LJQANCHMSA-N 0 1 363.505 4.045 20 30 FIEDMN N#Cc1ccccc1-c1ccccc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506906522 1102942293 /nfs/dbraw/zinc/94/22/93/1102942293.db2.gz ZSHKRVHKSPHQMW-UHFFFAOYSA-N 0 1 356.307 4.219 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cccc(F)c2F)no1 ZINC001211975361 1103130359 /nfs/dbraw/zinc/13/03/59/1103130359.db2.gz FIQXCAORQQRSNT-BBRMVZONSA-N 0 1 365.424 4.093 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C)cc2F)no1 ZINC001211975848 1103136474 /nfs/dbraw/zinc/13/64/74/1103136474.db2.gz RHSBBJRETXWNLA-YJBOKZPZSA-N 0 1 361.461 4.262 20 30 FIEDMN C[C@@H](NCc1ccc(Br)cc1F)c1ccc(OCC#N)cc1 ZINC000729685735 1103155339 /nfs/dbraw/zinc/15/53/39/1103155339.db2.gz HMWRUGSQIZLVBR-GFCCVEGCSA-N 0 1 363.230 4.341 20 30 FIEDMN N#Cc1cccc(C2(NCC(=O)Nc3cc(Cl)ccc3Cl)CC2)c1 ZINC000551402118 1103183158 /nfs/dbraw/zinc/18/31/58/1103183158.db2.gz VGLRRDQDLJRDGB-UHFFFAOYSA-N 0 1 360.244 4.082 20 30 FIEDMN C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000507204575 1103202606 /nfs/dbraw/zinc/20/26/06/1103202606.db2.gz RKFIPNOOHJPKOK-CYBMUJFWSA-N 0 1 358.367 4.418 20 30 FIEDMN CCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000507212169 1103217718 /nfs/dbraw/zinc/21/77/18/1103217718.db2.gz NHHFMCQMCZUELL-HRAATJIYSA-N 0 1 355.482 4.260 20 30 FIEDMN C=CCN(C(=O)c1ccc2cncn2c1)c1nc(-c2ccccc2)cs1 ZINC000551458055 1103234226 /nfs/dbraw/zinc/23/42/26/1103234226.db2.gz ORGNBRQGNXJWJZ-UHFFFAOYSA-N 0 1 360.442 4.291 20 30 FIEDMN N#Cc1cccc(CN[C@H](c2cncc(Br)c2)C2CC2)c1F ZINC000551750728 1103607055 /nfs/dbraw/zinc/60/70/55/1103607055.db2.gz UQXOUQKUVQXDMU-KRWDZBQOSA-N 0 1 360.230 4.096 20 30 FIEDMN N#CC(C(=O)c1csc(C(F)(F)F)n1)c1ccc(C(F)(F)F)cn1 ZINC000551770628 1103608929 /nfs/dbraw/zinc/60/89/29/1103608929.db2.gz DWGYIROPTVGGIV-ZETCQYMHSA-N 0 1 365.258 4.066 20 30 FIEDMN CSc1ccccc1[C@H](C)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000440638689 1103846555 /nfs/dbraw/zinc/84/65/55/1103846555.db2.gz OOODWTMDTDVFJL-IRXDYDNUSA-N 0 1 367.518 4.394 20 30 FIEDMN CCCN(CCc1cccc(F)c1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441400228 1104332479 /nfs/dbraw/zinc/33/24/79/1104332479.db2.gz ZOWVHFMULSSJNW-UHFFFAOYSA-N 0 1 364.424 4.202 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc(CC(F)(F)F)s1 ZINC000894964465 1104389489 /nfs/dbraw/zinc/38/94/89/1104389489.db2.gz REDKBGFKVKOEEB-HNNXBMFYSA-N 0 1 351.397 4.287 20 30 FIEDMN N#Cc1ccc(NC2CCN(Cc3ccccn3)CC2)cc1C(F)(F)F ZINC000067368403 1104500372 /nfs/dbraw/zinc/50/03/72/1104500372.db2.gz SRPWPEKRQBZALS-UHFFFAOYSA-N 0 1 360.383 4.049 20 30 FIEDMN C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000328653756 1104526274 /nfs/dbraw/zinc/52/62/74/1104526274.db2.gz LIGNJVCUFDJDMY-CXUOOODFSA-N 0 1 372.557 4.323 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NCc3oc4ccc(F)cc4c3C)C2)n[nH]1 ZINC000328748590 1104548634 /nfs/dbraw/zinc/54/86/34/1104548634.db2.gz QMEYBNFGWSNAMO-CQSZACIVSA-N 0 1 370.428 4.205 20 30 FIEDMN [O-]C(NCCc1csc2ccccc12)=[NH+][C@@H]1CCCC12CCOCC2 ZINC000328806125 1104559072 /nfs/dbraw/zinc/55/90/72/1104559072.db2.gz LVHYNZNKVONPAX-GOSISDBHSA-N 0 1 358.507 4.297 20 30 FIEDMN Cc1ccccc1C1(CNC(=O)[C@H]2CCc3[nH]nnc3C2)CCCCC1 ZINC000328796520 1104570378 /nfs/dbraw/zinc/57/03/78/1104570378.db2.gz UWCODVNMABONAI-INIZCTEOSA-N 0 1 352.482 4.077 20 30 FIEDMN Cc1ccccc1C1(CNC(=O)[C@H]2CCc3nn[nH]c3C2)CCCCC1 ZINC000328796520 1104570382 /nfs/dbraw/zinc/57/03/82/1104570382.db2.gz UWCODVNMABONAI-INIZCTEOSA-N 0 1 352.482 4.077 20 30 FIEDMN C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@H](C2CCOCC2)C1 ZINC000328827619 1104572417 /nfs/dbraw/zinc/57/24/17/1104572417.db2.gz JPTLYCWAFJDBAP-HIFRSBDPSA-N 0 1 368.424 4.013 20 30 FIEDMN Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1cccc(Cl)c1O ZINC000328938696 1104595545 /nfs/dbraw/zinc/59/55/45/1104595545.db2.gz KEXKNOAGVJJBPB-JTQLQIEISA-N 0 1 352.843 4.341 20 30 FIEDMN O=C(NCC1(c2ccccc2)CCCCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000328952854 1104598183 /nfs/dbraw/zinc/59/81/83/1104598183.db2.gz NYUCBFMMEXVIQG-INIZCTEOSA-N 0 1 352.482 4.158 20 30 FIEDMN O=C(NCC1(c2ccccc2)CCCCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000328952854 1104598191 /nfs/dbraw/zinc/59/81/91/1104598191.db2.gz NYUCBFMMEXVIQG-INIZCTEOSA-N 0 1 352.482 4.158 20 30 FIEDMN CCc1nn(C)cc1[NH+]=C([O-])Nc1cc(Br)c(C)cc1C ZINC000331131813 1104706952 /nfs/dbraw/zinc/70/69/52/1104706952.db2.gz PBAOROHOHFFVMV-UHFFFAOYSA-N 0 1 351.248 4.019 20 30 FIEDMN C#Cc1cccc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)c1 ZINC000073803857 1104806644 /nfs/dbraw/zinc/80/66/44/1104806644.db2.gz BPTRBIOXMZSQHC-UHFFFAOYSA-N 0 1 361.470 4.021 20 30 FIEDMN C=CCOc1ccc(CN(Cc2ccc(O)c(OC)c2)C2CC2)cc1OC ZINC000190014578 1104871093 /nfs/dbraw/zinc/87/10/93/1104871093.db2.gz JYBSCBKSGXHCMC-UHFFFAOYSA-N 0 1 369.461 4.139 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)[nH]n2)o1 ZINC000170977179 1104987481 /nfs/dbraw/zinc/98/74/81/1104987481.db2.gz RYZXUQUCIHORAK-GFCCVEGCSA-N 0 1 366.446 4.482 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)CC1CCCCC1 ZINC000170983902 1105016736 /nfs/dbraw/zinc/01/67/36/1105016736.db2.gz UHBDAPFBWMGVEX-MRXNPFEDSA-N 0 1 359.539 4.389 20 30 FIEDMN CC(=O)c1ccc(O)c(NC(=O)c2cn(CCCC#N)c3ccccc23)c1 ZINC000444361359 1106920449 /nfs/dbraw/zinc/92/04/49/1106920449.db2.gz YNAHWGBRDQOVGS-UHFFFAOYSA-N 0 1 361.401 4.106 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(C3CC3)c2)c(C#N)c1C ZINC000451116842 1106929729 /nfs/dbraw/zinc/92/97/29/1106929729.db2.gz SEJPLRRAMBOLHQ-KBPBESRZSA-N 0 1 351.450 4.323 20 30 FIEDMN C=C[C@@H]1OCCC[C@H]1NCc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000451680488 1107264571 /nfs/dbraw/zinc/26/45/71/1107264571.db2.gz JMTWCQHTMCZXOQ-CVEARBPZSA-N 0 1 352.356 4.184 20 30 FIEDMN CC[C@@H]1CC[C@H](C)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000451955018 1107407189 /nfs/dbraw/zinc/40/71/89/1107407189.db2.gz ONKKBLXKNNUHPI-IXDOHACOSA-N 0 1 359.539 4.387 20 30 FIEDMN COc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1OCCCC#N ZINC000531206497 1107647411 /nfs/dbraw/zinc/64/74/11/1107647411.db2.gz JCULWFORFBBGSD-UHFFFAOYSA-N 0 1 354.425 4.296 20 30 FIEDMN N#Cc1ccc(NCCN2CCc3sccc3C2)c(C(F)(F)F)c1 ZINC000523115014 1107842454 /nfs/dbraw/zinc/84/24/54/1107842454.db2.gz LJHZVJPDOLOHHJ-UHFFFAOYSA-N 0 1 351.397 4.109 20 30 FIEDMN N#Cc1cccc(CN2CCC(Oc3cccc(Br)c3)CC2)c1 ZINC000546104850 1108007997 /nfs/dbraw/zinc/00/79/97/1108007997.db2.gz UHYYUFQZCFTDLW-UHFFFAOYSA-N 0 1 371.278 4.364 20 30 FIEDMN CC(C)[C@H]1CCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000444752667 1108153893 /nfs/dbraw/zinc/15/38/93/1108153893.db2.gz GAOBDLVRAYFMDJ-SJORKVTESA-N 0 1 359.539 4.387 20 30 FIEDMN OCC1(Cc2ccccc2)CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000444781981 1108157128 /nfs/dbraw/zinc/15/71/28/1108157128.db2.gz BWNLYKNHELPMRA-UHFFFAOYSA-N 0 1 353.893 4.009 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)nn1C(C)C ZINC000453625571 1108651909 /nfs/dbraw/zinc/65/19/09/1108651909.db2.gz KNKSBCBNAMJLDL-GFCCVEGCSA-N 0 1 357.364 4.007 20 30 FIEDMN N#Cc1c(F)cccc1CN(CCCOc1ccccc1)C1CCOCC1 ZINC000428436801 1109143522 /nfs/dbraw/zinc/14/35/22/1109143522.db2.gz RGUBIJBHDWGXTL-UHFFFAOYSA-N 0 1 368.452 4.147 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)c1 ZINC000526007948 1109587019 /nfs/dbraw/zinc/58/70/19/1109587019.db2.gz HVLMYOFMSQLNOS-OAHLLOKOSA-N 0 1 353.466 4.232 20 30 FIEDMN CCN([C@@H](C)c1ccc(C#N)cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447855814 1109660198 /nfs/dbraw/zinc/66/01/98/1109660198.db2.gz VBZPTSGMGFPEQW-JTSKRJEESA-N 0 1 372.472 4.008 20 30 FIEDMN COc1ccc(Cl)cc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000527812669 1109828215 /nfs/dbraw/zinc/82/82/15/1109828215.db2.gz SXKRGKPXOFCMTA-UHFFFAOYSA-N 0 1 356.853 4.016 20 30 FIEDMN C=C(Cl)COc1ccc([C@H](C)N[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000527996443 1109880724 /nfs/dbraw/zinc/88/07/24/1109880724.db2.gz DAMPEZGRKTWSSR-LIRRHRJNSA-N 0 1 356.853 4.032 20 30 FIEDMN C=C(C)COc1cc(CNCc2cccc(C(F)(F)F)n2)ccc1OC ZINC000449403598 1110059621 /nfs/dbraw/zinc/05/96/21/1110059621.db2.gz WXGLINGUMIZNNZ-UHFFFAOYSA-N 0 1 366.383 4.354 20 30 FIEDMN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCC12CC2 ZINC000528915377 1110149595 /nfs/dbraw/zinc/14/95/95/1110149595.db2.gz CSCOGWVEFBHFMQ-RYUDHWBXSA-N 0 1 351.233 4.221 20 30 FIEDMN Cc1noc2nc(C(C)C)cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)c12 ZINC000102115796 1110187816 /nfs/dbraw/zinc/18/78/16/1110187816.db2.gz SMKFZGDRHYDKDC-ZDUSSCGKSA-N 0 1 359.389 4.021 20 30 FIEDMN Cc1noc2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)c12 ZINC000102115796 1110187819 /nfs/dbraw/zinc/18/78/19/1110187819.db2.gz SMKFZGDRHYDKDC-ZDUSSCGKSA-N 0 1 359.389 4.021 20 30 FIEDMN COc1ccc(C[C@H](NCC2(C#N)CCC2)c2ccc(OC)cc2)cc1 ZINC000450519511 1110310236 /nfs/dbraw/zinc/31/02/36/1110310236.db2.gz SNDWEKSBNVVTLU-NRFANRHFSA-N 0 1 350.462 4.271 20 30 FIEDMN CC1(C#N)CCN(Cc2ccc(F)c(CN3CCC(C)(C#N)CC3)c2)CC1 ZINC000450715859 1110334464 /nfs/dbraw/zinc/33/44/64/1110334464.db2.gz XTZYUYMTGBUEEI-UHFFFAOYSA-N 0 1 368.500 4.077 20 30 FIEDMN FC(F)(F)c1ccc(C#CCNCc2cnn(Cc3ccccc3)c2)cc1 ZINC000538602942 1111209285 /nfs/dbraw/zinc/20/92/85/1111209285.db2.gz BAYVYBQBKATLPY-UHFFFAOYSA-N 0 1 369.390 4.092 20 30 FIEDMN COc1ccc2nc(C)cc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)c2c1 ZINC000538766306 1111291495 /nfs/dbraw/zinc/29/14/95/1111291495.db2.gz KNHVJSRQUDQWFO-KRWDZBQOSA-N 0 1 370.412 4.227 20 30 FIEDMN C[C@@H](C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cccc(C#N)c1 ZINC000461920392 1111424039 /nfs/dbraw/zinc/42/40/39/1111424039.db2.gz RRLRWJVASMFWQF-CYBMUJFWSA-N 0 1 356.385 4.437 20 30 FIEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000539252490 1111487370 /nfs/dbraw/zinc/48/73/70/1111487370.db2.gz KSFPJTJBSCNGIS-ZWKOTPCHSA-N 0 1 365.477 4.138 20 30 FIEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000539252337 1111487534 /nfs/dbraw/zinc/48/75/34/1111487534.db2.gz KSFPJTJBSCNGIS-QZTJIDSGSA-N 0 1 365.477 4.138 20 30 FIEDMN COc1ccc([C@H](C)NCC#Cc2ccc(F)cc2)cc1Br ZINC000539269545 1111493387 /nfs/dbraw/zinc/49/33/87/1111493387.db2.gz BHRHPCLUPGNDRX-ZDUSSCGKSA-N 0 1 362.242 4.299 20 30 FIEDMN COCCSc1ccc([C@@H](C)NCc2ccc(C#N)cc2OC)cc1 ZINC000539306656 1111514839 /nfs/dbraw/zinc/51/48/39/1111514839.db2.gz AWCFIEPUETYGIF-OAHLLOKOSA-N 0 1 356.491 4.156 20 30 FIEDMN N#CC(C(=O)c1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1 ZINC000041502267 1111522357 /nfs/dbraw/zinc/52/23/57/1111522357.db2.gz FTYJHUVHMGONCK-INIZCTEOSA-N 0 1 358.426 4.031 20 30 FIEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000539360847 1111537813 /nfs/dbraw/zinc/53/78/13/1111537813.db2.gz VOMYVYKAIZPGKD-SFHVURJKSA-N 0 1 364.489 4.213 20 30 FIEDMN C=CCOc1ccc(CN[C@H](C)c2ccc(-n3cncn3)cc2Cl)cc1 ZINC000552091689 1111572260 /nfs/dbraw/zinc/57/22/60/1111572260.db2.gz VNXJKONEMRNBTF-OAHLLOKOSA-N 0 1 368.868 4.336 20 30 FIEDMN CC[C@](C)(C#N)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000552138340 1111590246 /nfs/dbraw/zinc/59/02/46/1111590246.db2.gz NRMQQELSGFHDAN-CYBMUJFWSA-N 0 1 360.286 4.095 20 30 FIEDMN C[C@@H](NC(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CC1 ZINC000478237364 1111726859 /nfs/dbraw/zinc/72/68/59/1111726859.db2.gz YZAISKMBYXCFPI-HMDNHSOSSA-N 0 1 369.534 4.133 20 30 FIEDMN Cc1c(Br)scc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000478552323 1111815633 /nfs/dbraw/zinc/81/56/33/1111815633.db2.gz MUHBEKLGCCSXEP-SNVBAGLBSA-N 0 1 374.263 4.494 20 30 FIEDMN N#Cc1ccnc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1Cl ZINC000553112811 1111909859 /nfs/dbraw/zinc/90/98/59/1111909859.db2.gz HDVZUKFXEBEXGW-CQSZACIVSA-N 0 1 358.232 4.478 20 30 FIEDMN CC1(C)CCCC[C@@H]1CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000479249666 1111975501 /nfs/dbraw/zinc/97/55/01/1111975501.db2.gz RXYWBTRBXJHXNO-HXUWFJFHSA-N 0 1 367.537 4.267 20 30 FIEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000553565786 1112009438 /nfs/dbraw/zinc/00/94/38/1112009438.db2.gz NNFJVQURVCDZTN-UHFFFAOYSA-N 0 1 373.382 4.181 20 30 FIEDMN CC[C@H](Nc1cccc(NC(=O)CN(CC)CC)c1)c1ccc(C#N)cc1 ZINC000554402973 1112333526 /nfs/dbraw/zinc/33/35/26/1112333526.db2.gz GUFBTQOTLWNFQS-NRFANRHFSA-N 0 1 364.493 4.402 20 30 FIEDMN CC[C@@H](NC(=O)CN[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000554842532 1112517688 /nfs/dbraw/zinc/51/76/88/1112517688.db2.gz HBQAIWIIGUXPIB-IFXJQAMLSA-N 0 1 355.869 4.130 20 30 FIEDMN CCS[C@@H]1CCCCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000480885953 1112646776 /nfs/dbraw/zinc/64/67/76/1112646776.db2.gz SBLXPUDPHSMDBQ-HXUWFJFHSA-N 0 1 373.566 4.158 20 30 FIEDMN N#CCCOCCN(Cc1ccccc1Br)C1CCCC1 ZINC000555415088 1112823458 /nfs/dbraw/zinc/82/34/58/1112823458.db2.gz BUZCSXZGKLIECC-UHFFFAOYSA-N 0 1 351.288 4.124 20 30 FIEDMN CC(C)Cn1ncc2cc(C(=O)C(C#N)c3nccc4ccccc43)cnc21 ZINC000483187987 1113463318 /nfs/dbraw/zinc/46/33/18/1113463318.db2.gz AKGASXTUYGRNBP-LJQANCHMSA-N 0 1 369.428 4.126 20 30 FIEDMN COc1cc(Br)ccc1[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000488968234 1114026307 /nfs/dbraw/zinc/02/63/07/1114026307.db2.gz CUXOIOQYIVZCPF-ZDUSSCGKSA-N 0 1 359.267 4.489 20 30 FIEDMN N#CC(C(=O)C=CSCc1ccco1)c1nc(-c2ccncc2)cs1 ZINC000151139745 1114302910 /nfs/dbraw/zinc/30/29/10/1114302910.db2.gz DMWMCTOGOQLAHU-FUVBFXSKSA-N 0 1 367.455 4.421 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@H](C3CC3)C2)c1C#N ZINC000491133941 1114376940 /nfs/dbraw/zinc/37/69/40/1114376940.db2.gz UQWUOEXMAQCMPM-SFHVURJKSA-N 0 1 368.525 4.152 20 30 FIEDMN N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(C(F)(F)F)c(O)c2)c1 ZINC000586819144 1114397549 /nfs/dbraw/zinc/39/75/49/1114397549.db2.gz LRESKLCUYDMGLV-UHFFFAOYSA-N 0 1 361.323 4.109 20 30 FIEDMN CC(C)Oc1ccccc1[C@@H](C)N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000055152114 1114421892 /nfs/dbraw/zinc/42/18/92/1114421892.db2.gz ZDGHNZHCDMJWFP-HZPDHXFCSA-N 0 1 351.450 4.023 20 30 FIEDMN Cn1cc(/C=C/C(=O)c2ccc3ccccc3c2O)c(-c2ccncc2)n1 ZINC000156611269 1114479109 /nfs/dbraw/zinc/47/91/09/1114479109.db2.gz JALUDSGPVMKHMI-VQHVLOKHSA-N 0 1 355.397 4.237 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c(C(F)(F)F)c1 ZINC000055548438 1114496321 /nfs/dbraw/zinc/49/63/21/1114496321.db2.gz IZEIVUYNUPDJSW-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN CC[N@@H+](Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1)C1CC1 ZINC000587988843 1114507737 /nfs/dbraw/zinc/50/77/37/1114507737.db2.gz YECGNWUEJZLUIO-SFHVURJKSA-N 0 1 359.429 4.302 20 30 FIEDMN Cc1ccnc(OC2CCN(Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000572199042 1114620785 /nfs/dbraw/zinc/62/07/85/1114620785.db2.gz CMBUPVAYEUPKJV-UHFFFAOYSA-N 0 1 365.477 4.116 20 30 FIEDMN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(F)c(Br)c1 ZINC000590195071 1114906286 /nfs/dbraw/zinc/90/62/86/1114906286.db2.gz UQSVQFZKCBMLKC-SNVBAGLBSA-N 0 1 351.194 4.450 20 30 FIEDMN CC(C)(NCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000057846465 1115021976 /nfs/dbraw/zinc/02/19/76/1115021976.db2.gz ZVHBRRLXPLLRPC-UHFFFAOYSA-N 0 1 355.869 4.112 20 30 FIEDMN Cc1ccc2cc([C@H](C)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc2c1 ZINC000573871701 1115193390 /nfs/dbraw/zinc/19/33/90/1115193390.db2.gz RHWDNJLDZXHOES-JXFKEZNVSA-N 0 1 373.456 4.065 20 30 FIEDMN N#Cc1ccccc1N1CCCN(Cc2ccccc2Br)CC1 ZINC000058580558 1115266828 /nfs/dbraw/zinc/26/68/28/1115266828.db2.gz IDHWKMOKWIRFOI-UHFFFAOYSA-N 0 1 370.294 4.033 20 30 FIEDMN N#Cc1ccccc1N1CCCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000058580619 1115266852 /nfs/dbraw/zinc/26/68/52/1115266852.db2.gz YOVHXAPSRORQAH-UHFFFAOYSA-N 0 1 359.395 4.289 20 30 FIEDMN N#C[C@@H](C(=O)c1ccccc1-n1cccn1)c1nc2cc(F)ccc2s1 ZINC000592974382 1115272667 /nfs/dbraw/zinc/27/26/67/1115272667.db2.gz RMUJLROXNXXONW-AWEZNQCLSA-N 0 1 362.389 4.111 20 30 FIEDMN N#CC(C(=O)c1ccccc1-n1cccn1)c1nc2cc(F)ccc2s1 ZINC000592974382 1115272668 /nfs/dbraw/zinc/27/26/68/1115272668.db2.gz RMUJLROXNXXONW-AWEZNQCLSA-N 0 1 362.389 4.111 20 30 FIEDMN COc1cc2c(cc1CNCc1ccc(C(C)(C)C#N)cc1)O[C@H](C)C2 ZINC000594495404 1115450096 /nfs/dbraw/zinc/45/00/96/1115450096.db2.gz RUHJYQXYCQYWGQ-OAHLLOKOSA-N 0 1 350.462 4.110 20 30 FIEDMN COc1sc(CNC(C)(C)c2cccc(C#N)c2)cc1Br ZINC000594970214 1115499088 /nfs/dbraw/zinc/49/90/88/1115499088.db2.gz VMLGAKYQXPIAQZ-UHFFFAOYSA-N 0 1 365.296 4.416 20 30 FIEDMN COc1ccc(Br)cc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594970184 1115499093 /nfs/dbraw/zinc/49/90/93/1115499093.db2.gz ZCXODFSBJWEQSM-UHFFFAOYSA-N 0 1 359.267 4.354 20 30 FIEDMN N#Cc1cccc(C2(NCc3cc4cc(Cl)cnc4o3)CCOCC2)c1 ZINC000594980582 1115499982 /nfs/dbraw/zinc/49/99/82/1115499982.db2.gz PVUNHHJOHRUUHR-UHFFFAOYSA-N 0 1 367.836 4.148 20 30 FIEDMN COc1ccc(-c2cc(CNCc3ccc(C4(C#N)CC4)cc3)on2)cc1 ZINC000594978058 1115500652 /nfs/dbraw/zinc/50/06/52/1115500652.db2.gz WOYRKIIVLNPPPE-UHFFFAOYSA-N 0 1 359.429 4.195 20 30 FIEDMN N#C[C@@H]1CCC[C@H](NCc2cc(Cl)ccc2I)C1 ZINC000595056703 1115508201 /nfs/dbraw/zinc/50/82/01/1115508201.db2.gz QYVYALBQQKZOLS-MFKMUULPSA-N 0 1 374.653 4.117 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC000595503972 1115539429 /nfs/dbraw/zinc/53/94/29/1115539429.db2.gz ZXUKRBAEFRJMHM-OAHLLOKOSA-N 0 1 356.267 4.095 20 30 FIEDMN COc1cc(Cl)ccc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595770634 1115559604 /nfs/dbraw/zinc/55/96/04/1115559604.db2.gz ZHXIQMVPMAVMNR-UHFFFAOYSA-N 0 1 356.853 4.016 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858613 1115564667 /nfs/dbraw/zinc/56/46/67/1115564667.db2.gz XUTKGTMRYVOTGF-YNBOMUFVSA-N 0 1 357.523 4.282 20 30 FIEDMN CCc1nc(C#N)cc(N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000596266320 1115580327 /nfs/dbraw/zinc/58/03/27/1115580327.db2.gz QTTDPVPUYSFKQL-MRXNPFEDSA-N 0 1 366.856 4.172 20 30 FIEDMN N#Cc1ccccc1OCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000060424235 1115634769 /nfs/dbraw/zinc/63/47/69/1115634769.db2.gz QNELVJBDTLQOBO-UHFFFAOYSA-N 0 1 356.838 4.168 20 30 FIEDMN COc1ccc(C(=O)Nc2cccc(CN3CCC[C@@H](CC#N)C3)c2)cc1 ZINC000597174640 1115646922 /nfs/dbraw/zinc/64/69/22/1115646922.db2.gz SLLOXEHUMVLEJG-KRWDZBQOSA-N 0 1 363.461 4.073 20 30 FIEDMN CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC[C@H](CC#N)C1 ZINC000597175370 1115646954 /nfs/dbraw/zinc/64/69/54/1115646954.db2.gz AWJAVGFRBQQBKE-LJQANCHMSA-N 0 1 350.510 4.355 20 30 FIEDMN N#Cc1cccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1 ZINC000060722907 1115691050 /nfs/dbraw/zinc/69/10/50/1115691050.db2.gz ANSMNEQJEUGTNA-UHFFFAOYSA-N 0 1 356.360 4.493 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3ncccc3C(F)(F)F)CC2)c1 ZINC000593516148 1115710953 /nfs/dbraw/zinc/71/09/53/1115710953.db2.gz YDAJAMAFHZWPIK-UHFFFAOYSA-N 0 1 360.383 4.049 20 30 FIEDMN N#CC(C(=O)c1sc2ccccc2c1Cl)c1nnc2n1CCCCC2 ZINC000060851267 1115718828 /nfs/dbraw/zinc/71/88/28/1115718828.db2.gz ODXHWPDFCNUCNF-LBPRGKRZSA-N 0 1 370.865 4.363 20 30 FIEDMN N#Cc1ccc(C2CCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)nc1 ZINC000602912132 1115733285 /nfs/dbraw/zinc/73/32/85/1115733285.db2.gz KSIADKSRQVFDOD-UHFFFAOYSA-N 0 1 362.408 4.127 20 30 FIEDMN CC(C)(C#N)C[C@@H](O)CN[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000598715427 1115747785 /nfs/dbraw/zinc/74/77/85/1115747785.db2.gz QHVMCAHBCVNGNJ-APWZRJJASA-N 0 1 360.860 4.459 20 30 FIEDMN C#CCN1CCC(C(=O)N(c2ccc3[nH]ccc3c2)[C@H](C)CC(C)C)CC1 ZINC000170707268 1115757497 /nfs/dbraw/zinc/75/74/97/1115757497.db2.gz VCUJWDRQWPJAHD-GOSISDBHSA-N 0 1 365.521 4.281 20 30 FIEDMN Cc1cc(CNC2(c3ccc(C#N)cc3)CCC2)ncc1Br ZINC000598981059 1115775704 /nfs/dbraw/zinc/77/57/04/1115775704.db2.gz LDVRJDQXTMSOIG-UHFFFAOYSA-N 0 1 356.267 4.193 20 30 FIEDMN N#Cc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000603501147 1115785765 /nfs/dbraw/zinc/78/57/65/1115785765.db2.gz XAIMXOLNMOPKEQ-LJQANCHMSA-N 0 1 368.868 4.170 20 30 FIEDMN CC(C)(C)OC(=O)[C@@H]1C[C@H](NCc2cc(C#N)cs2)c2ccccc21 ZINC000593692227 1115797234 /nfs/dbraw/zinc/79/72/34/1115797234.db2.gz WCHKATNKHPATKQ-MSOLQXFVSA-N 0 1 354.475 4.280 20 30 FIEDMN COc1ccc(-c2ccc(-c3nc4ccc(C#N)cc4[nH]3)o2)c([N+](=O)[O-])c1 ZINC000603807415 1115816577 /nfs/dbraw/zinc/81/65/77/1115816577.db2.gz YIEZPCPRVQXXAL-UHFFFAOYSA-N 0 1 360.329 4.278 20 30 FIEDMN COc1ccc(C(C)C)cc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599630456 1115832763 /nfs/dbraw/zinc/83/27/63/1115832763.db2.gz OKVSTRGYVAOZMO-UHFFFAOYSA-N 0 1 364.489 4.486 20 30 FIEDMN Cc1cc(C)cc(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000604533590 1115869249 /nfs/dbraw/zinc/86/92/49/1115869249.db2.gz AXJBBXKWIMLQPM-UHFFFAOYSA-N 0 1 356.473 4.046 20 30 FIEDMN Cc1noc2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)c12 ZINC000605362639 1115891245 /nfs/dbraw/zinc/89/12/45/1115891245.db2.gz NMUPOIBHWAYLAF-AWEZNQCLSA-N 0 1 373.416 4.329 20 30 FIEDMN Cc1ccc(NC(=O)CNC2(c3ccc(C#N)cc3)CCC2)c(Cl)c1 ZINC000594031416 1115965297 /nfs/dbraw/zinc/96/52/97/1115965297.db2.gz FFYDBNSCZCMPGL-UHFFFAOYSA-N 0 1 353.853 4.128 20 30 FIEDMN COc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1C#N ZINC000174319427 1116128920 /nfs/dbraw/zinc/12/89/20/1116128920.db2.gz WZYQVKBSOHIJGO-AWEZNQCLSA-N 0 1 364.424 4.051 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc([C@H]4CCCOC4)c3)[nH]c21 ZINC000534306747 1116182774 /nfs/dbraw/zinc/18/27/74/1116182774.db2.gz CWZOFRAIHQANIV-ROUUACIJSA-N 0 1 359.429 4.255 20 30 FIEDMN N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)o1 ZINC000457341131 1116266264 /nfs/dbraw/zinc/26/62/64/1116266264.db2.gz IKMJFHZHODNEIT-OAHLLOKOSA-N 0 1 354.797 4.048 20 30 FIEDMN C=CCOc1ccc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000535368652 1116299882 /nfs/dbraw/zinc/29/98/82/1116299882.db2.gz YEFVIEVMUGRKRK-GOSISDBHSA-N 0 1 351.368 4.093 20 30 FIEDMN N#CCc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2O)cc1 ZINC000535419451 1116304274 /nfs/dbraw/zinc/30/42/74/1116304274.db2.gz LSJRWUSZIUENLU-UHFFFAOYSA-N 0 1 365.614 4.126 20 30 FIEDMN FC(F)(F)c1ccc(C#CCNCc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000539703745 1116367853 /nfs/dbraw/zinc/36/78/53/1116367853.db2.gz ARSHWHVSHLTOBF-UHFFFAOYSA-N 0 1 355.363 4.237 20 30 FIEDMN N#Cc1cc(F)ccc1CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000539766387 1116377375 /nfs/dbraw/zinc/37/73/75/1116377375.db2.gz VGMXFXGZFMZHKL-KRWDZBQOSA-N 0 1 367.472 4.243 20 30 FIEDMN N#Cc1cccc(CN2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1F ZINC000539765476 1116377392 /nfs/dbraw/zinc/37/73/92/1116377392.db2.gz HQTYBOTVATUCAH-SFHVURJKSA-N 0 1 367.472 4.243 20 30 FIEDMN CC(C)(NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccs1 ZINC000544469501 1116381090 /nfs/dbraw/zinc/38/10/90/1116381090.db2.gz OSYAQPNRIPEUBQ-UHFFFAOYSA-N 0 1 373.547 4.414 20 30 FIEDMN COc1ccc(CN2Cc3ccccc3C[C@@H]2C)cc1OCCCC#N ZINC000539838853 1116386862 /nfs/dbraw/zinc/38/68/62/1116386862.db2.gz YYJPKTCLNZWTGD-KRWDZBQOSA-N 0 1 350.462 4.325 20 30 FIEDMN CC[C@@H]1CC[C@@H](C)N1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000540054459 1117844134 /nfs/dbraw/zinc/84/41/34/1117844134.db2.gz RCCSDVUTZIMIRH-RHSMWYFYSA-N 0 1 356.514 4.293 20 30 FIEDMN COc1ccc([C@H](CNc2c(Cl)cccc2C#N)N2CCCC2)cc1 ZINC000462925334 1117862233 /nfs/dbraw/zinc/86/22/33/1117862233.db2.gz MFXDFIQGJNEMBE-IBGZPJMESA-N 0 1 355.869 4.469 20 30 FIEDMN COc1ccc([C@H](C)NCc2cccc(C#N)c2F)cc1Br ZINC000540368874 1118007638 /nfs/dbraw/zinc/00/76/38/1118007638.db2.gz HRODSRQCEFNYQU-NSHDSACASA-N 0 1 363.230 4.319 20 30 FIEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000540381851 1118031940 /nfs/dbraw/zinc/03/19/40/1118031940.db2.gz XZBVYYBAMQDIJN-HNNXBMFYSA-N 0 1 357.523 4.194 20 30 FIEDMN C[C@@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000540705915 1118195127 /nfs/dbraw/zinc/19/51/27/1118195127.db2.gz SLMPIXMNNGXIMB-PIGZYNQJSA-N 0 1 352.331 4.100 20 30 FIEDMN N#Cc1ccc(F)cc1CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000540864598 1118283894 /nfs/dbraw/zinc/28/38/94/1118283894.db2.gz XWRILJHOCVSVIM-KRWDZBQOSA-N 0 1 367.472 4.243 20 30 FIEDMN N#Cc1ccc(F)cc1CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000540864604 1118284147 /nfs/dbraw/zinc/28/41/47/1118284147.db2.gz XWRILJHOCVSVIM-QGZVFWFLSA-N 0 1 367.472 4.243 20 30 FIEDMN COC(=O)c1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 ZINC000541084163 1118376727 /nfs/dbraw/zinc/37/67/27/1118376727.db2.gz FYLHEZWQZIXPHR-HNNXBMFYSA-N 0 1 360.413 4.456 20 30 FIEDMN N#Cc1ccc(OCCNCc2cc(Cl)ccc2Br)cc1 ZINC000464054068 1118426473 /nfs/dbraw/zinc/42/64/73/1118426473.db2.gz TXIOTXQDKPXSET-UHFFFAOYSA-N 0 1 365.658 4.143 20 30 FIEDMN Cc1ccnc(NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000541350221 1118483240 /nfs/dbraw/zinc/48/32/40/1118483240.db2.gz VNOXOBZDHRNXQV-KSSFIOAISA-N 0 1 358.848 4.159 20 30 FIEDMN N#CC(C(=O)c1cncnc1-c1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000464410073 1118546813 /nfs/dbraw/zinc/54/68/13/1118546813.db2.gz MHFTXGJSRBQWKC-AWEZNQCLSA-N 0 1 368.318 4.047 20 30 FIEDMN N#C[C@H](C(=O)c1cncnc1-c1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000464410073 1118546815 /nfs/dbraw/zinc/54/68/15/1118546815.db2.gz MHFTXGJSRBQWKC-AWEZNQCLSA-N 0 1 368.318 4.047 20 30 FIEDMN COc1ccc(Cl)cc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464414432 1118547953 /nfs/dbraw/zinc/54/79/53/1118547953.db2.gz KJVCMZWRFXTPOI-LBPRGKRZSA-N 0 1 354.715 4.252 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c2ccccc2n1 ZINC000464420949 1118558937 /nfs/dbraw/zinc/55/89/37/1118558937.db2.gz KHJAGPNFLDYCCU-HNNXBMFYSA-N 0 1 355.319 4.447 20 30 FIEDMN N#Cc1ccc(CN(CCO[C@H]2CCCCO2)Cc2cccc(F)c2)cc1 ZINC000541587119 1118577204 /nfs/dbraw/zinc/57/72/04/1118577204.db2.gz SAUXLVFSFOATAZ-QFIPXVFZSA-N 0 1 368.452 4.243 20 30 FIEDMN N#Cc1ccc(F)cc1CN(CCCOc1ccccc1)C1CCOCC1 ZINC000464587291 1118617193 /nfs/dbraw/zinc/61/71/93/1118617193.db2.gz NDLRFVRANXXSBS-UHFFFAOYSA-N 0 1 368.452 4.147 20 30 FIEDMN Cc1cccc([C@H]2CCCCN2CC(=O)NCc2cccc(C#N)c2)c1C ZINC000464782252 1118692999 /nfs/dbraw/zinc/69/29/99/1118692999.db2.gz WERBUGSHJJUAMX-JOCHJYFZSA-N 0 1 361.489 4.019 20 30 FIEDMN N#Cc1c(CN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cn2ccccc12 ZINC000443661420 1118751672 /nfs/dbraw/zinc/75/16/72/1118751672.db2.gz XGTQTWOMKKCHEB-OAHLLOKOSA-N 0 1 374.419 4.471 20 30 FIEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000464939890 1118765207 /nfs/dbraw/zinc/76/52/07/1118765207.db2.gz PHHGZBLCYKQQIX-CRAIPNDOSA-N 0 1 362.458 4.050 20 30 FIEDMN C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000542408109 1118923572 /nfs/dbraw/zinc/92/35/72/1118923572.db2.gz KQBLMJDNLVUBSR-SJLPKXTDSA-N 0 1 373.545 4.486 20 30 FIEDMN C[C@@H]1CC[C@H](CC(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000151584082 1118939090 /nfs/dbraw/zinc/93/90/90/1118939090.db2.gz LVOGKLJUJUTGQO-TYNCELHUSA-N 0 1 366.433 4.475 20 30 FIEDMN C[C@@H]1CC[C@H](CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000151614558 1118946220 /nfs/dbraw/zinc/94/62/20/1118946220.db2.gz KXISUAHFIMPXLG-NTZNESFSSA-N 0 1 353.249 4.467 20 30 FIEDMN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)N(CCC#N)c1ccccc1 ZINC000173266741 1119029101 /nfs/dbraw/zinc/02/91/01/1119029101.db2.gz LFTCGIYHIKTQHJ-DLBZAZTESA-N 0 1 361.445 4.419 20 30 FIEDMN CC1(C)c2cc(C(=O)C(C#N)c3nc4ccccc4s3)ccc2NC1=O ZINC000492262953 1119057149 /nfs/dbraw/zinc/05/71/49/1119057149.db2.gz YOZSLLHNCVGFSQ-LBPRGKRZSA-N 0 1 361.426 4.016 20 30 FIEDMN CCCN(CCCSCC#N)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000173864480 1119075880 /nfs/dbraw/zinc/07/58/80/1119075880.db2.gz WAVLXGRUGCGVCW-UHFFFAOYSA-N 0 1 374.337 4.291 20 30 FIEDMN N#CC1(C(=O)Nc2cc(Cl)cc(Br)c2O)CCCCC1 ZINC000174917054 1119097462 /nfs/dbraw/zinc/09/74/62/1119097462.db2.gz YVUCIGKLBOPEPL-UHFFFAOYSA-N 0 1 357.635 4.221 20 30 FIEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)CC1CCC(C)(C)CC1 ZINC000152337628 1119210778 /nfs/dbraw/zinc/21/07/78/1119210778.db2.gz IZHJIKUGSIDYHF-INIZCTEOSA-N 0 1 356.466 4.339 20 30 FIEDMN C=C[C@H]1CCCCN1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000494215228 1119556012 /nfs/dbraw/zinc/55/60/12/1119556012.db2.gz HBSBRZFONQERIC-IBGZPJMESA-N 0 1 361.917 4.055 20 30 FIEDMN CC(C)CN1Cc2cccc(NC(=O)C3(c4cccc(C#N)c4)CC3)c2C1 ZINC000494442049 1119862296 /nfs/dbraw/zinc/86/22/96/1119862296.db2.gz FHEZOBIBVGQAIJ-UHFFFAOYSA-N 0 1 359.473 4.200 20 30 FIEDMN C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000494516662 1119885095 /nfs/dbraw/zinc/88/50/95/1119885095.db2.gz VLWGQZPSWKXLHZ-SNVBAGLBSA-N 0 1 367.302 4.475 20 30 FIEDMN CCc1ccc(C#CC(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC001168469744 1120248116 /nfs/dbraw/zinc/24/81/16/1120248116.db2.gz OIBGYVVRIQQHRU-ZDUSSCGKSA-N 0 1 351.837 4.008 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)c2c(n1)onc2C(C)C ZINC000194375640 1120264816 /nfs/dbraw/zinc/26/48/16/1120264816.db2.gz ZIBVTXZMYIONGS-CQSZACIVSA-N 0 1 373.416 4.031 20 30 FIEDMN Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c2c(n1)onc2C(C)C ZINC000194375640 1120264822 /nfs/dbraw/zinc/26/48/22/1120264822.db2.gz ZIBVTXZMYIONGS-CQSZACIVSA-N 0 1 373.416 4.031 20 30 FIEDMN C=CCOc1ccccc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000194863898 1120313446 /nfs/dbraw/zinc/31/34/46/1120313446.db2.gz QLALILDESLUEIM-IBGZPJMESA-N 0 1 363.417 4.232 20 30 FIEDMN Cc1nc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccn12 ZINC000914601027 1120407677 /nfs/dbraw/zinc/40/76/77/1120407677.db2.gz FMAGANFHOPSGOS-UHFFFAOYSA-N 0 1 363.299 4.016 20 30 FIEDMN CCOC(=O)c1sc(C/N=C/c2cc(Cl)cc(Cl)c2O)nc1C ZINC000749931061 1120523552 /nfs/dbraw/zinc/52/35/52/1120523552.db2.gz PAZLYICNNVEJIN-NGYBGAFCSA-N 0 1 373.261 4.260 20 30 FIEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000762033055 1120662931 /nfs/dbraw/zinc/66/29/31/1120662931.db2.gz YJFZRQPREMQSNG-SMDDNHRTSA-N 0 1 350.846 4.068 20 30 FIEDMN N#CC[C@H](C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1 ZINC001127381807 1121022741 /nfs/dbraw/zinc/02/27/41/1121022741.db2.gz VEMKTOHHXXKBOI-ZDUSSCGKSA-N 0 1 358.323 4.218 20 30 FIEDMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N(O)Cc1ccccc1Cl ZINC001649040952 1121029006 /nfs/dbraw/zinc/02/90/06/1121029006.db2.gz MNDVZHJBTBTQQF-UHFFFAOYSA-N 0 1 362.216 4.415 20 30 FIEDMN N#Cc1ccc(OCCCSc2nc(C=Cc3ccccc3)n[nH]2)cc1 ZINC000915795487 1121060942 /nfs/dbraw/zinc/06/09/42/1121060942.db2.gz NUVHCGKMLAGMOC-FMIVXFBMSA-N 0 1 362.458 4.408 20 30 FIEDMN C[C@@H](NC[C@H](O)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000326370973 1121306520 /nfs/dbraw/zinc/30/65/20/1121306520.db2.gz JPPSFFKCCDOWJA-LDWIPMOCSA-N 0 1 369.227 4.298 20 30 FIEDMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1O ZINC000915917750 1121348811 /nfs/dbraw/zinc/34/88/11/1121348811.db2.gz MMPSNXSUZKDTTO-UHFFFAOYSA-N 0 1 359.735 4.304 20 30 FIEDMN CN1CCN(c2cccc(Cl)c2C=[NH+][N-]c2ccccc2Cl)CC1 ZINC000915934979 1121354418 /nfs/dbraw/zinc/35/44/18/1121354418.db2.gz IMOSGLAVUSLGSG-UHFFFAOYSA-N 0 1 363.292 4.191 20 30 FIEDMN COc1ccc(C(C)=NN=c2[nH]c3ccccc3n2C)cc1Br ZINC000915968585 1121357880 /nfs/dbraw/zinc/35/78/80/1121357880.db2.gz ZUUXPAJKQIOOER-UHFFFAOYSA-N 0 1 373.254 4.181 20 30 FIEDMN O=C(/C=C/c1cccc2ccccc12)c1ccc(O)c(CN2CCOCC2)c1 ZINC000916129967 1121419198 /nfs/dbraw/zinc/41/91/98/1121419198.db2.gz DLFYGZLLJHVTCN-CSKARUKUSA-N 0 1 373.452 4.274 20 30 FIEDMN Cc1nn(-c2ccccc2)c(Cl)c1CN=Nc1ccccc1[N+](=O)[O-] ZINC000916249899 1121456876 /nfs/dbraw/zinc/45/68/76/1121456876.db2.gz BNHJSMSKLYZIDW-UHFFFAOYSA-N 0 1 355.785 4.188 20 30 FIEDMN COc1cc(CN=Nc2ccc3ccccc3n2)ccc1OC(=O)C1CC1 ZINC000916285812 1121463235 /nfs/dbraw/zinc/46/32/35/1121463235.db2.gz JBBYIVUOQAHIJY-UHFFFAOYSA-N 0 1 361.401 4.005 20 30 FIEDMN Clc1nc(Nc2ccccc2)sc1CN=Nc1ccc(Cl)nn1 ZINC000916287246 1121463790 /nfs/dbraw/zinc/46/37/90/1121463790.db2.gz CWEWJYSESSSYIU-UHFFFAOYSA-N 0 1 365.249 4.430 20 30 FIEDMN Clc1nc(Nc2ccccc2)sc1C=NNc1ccc(Cl)nn1 ZINC000916287246 1121463797 /nfs/dbraw/zinc/46/37/97/1121463797.db2.gz CWEWJYSESSSYIU-UHFFFAOYSA-N 0 1 365.249 4.430 20 30 FIEDMN Cc1nn(-c2ccccc2)c(CSc2nc(-c3ccccc3)n[nH]2)c1C#N ZINC000027332271 1121490940 /nfs/dbraw/zinc/49/09/40/1121490940.db2.gz LKMFNRRHYSKJSE-UHFFFAOYSA-N 0 1 372.457 4.130 20 30 FIEDMN C[C@@H](c1ccc2ccccc2c1)N(CC(=O)N(CCC#N)CCC#N)C1CC1 ZINC000063577989 1121701207 /nfs/dbraw/zinc/70/12/07/1121701207.db2.gz MWKVXRXVSQQFIW-SFHVURJKSA-N 0 1 374.488 4.021 20 30 FIEDMN CCCCC1CCC(C(=O)C(C#N)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000916952555 1121975060 /nfs/dbraw/zinc/97/50/60/1121975060.db2.gz LETAKAYBKANDCP-LADRWXRNSA-N 0 1 356.466 4.339 20 30 FIEDMN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(F)c3)n2)cc1 ZINC000066544066 1122072824 /nfs/dbraw/zinc/07/28/24/1122072824.db2.gz YWRFSFVJDQXWSI-INIZCTEOSA-N 0 1 352.390 4.448 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cccc(F)c3)n2)cc1 ZINC000066544066 1122072833 /nfs/dbraw/zinc/07/28/33/1122072833.db2.gz YWRFSFVJDQXWSI-INIZCTEOSA-N 0 1 352.390 4.448 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc3c[nH]nc32)cc1 ZINC000131569887 1122085400 /nfs/dbraw/zinc/08/54/00/1122085400.db2.gz USQKGQPFXHIBIV-SCLBCKFNSA-N 0 1 360.417 4.038 20 30 FIEDMN N#CC(C(=O)c1cccc2c1OCCO2)c1nc2cc(Cl)ccc2s1 ZINC000067799055 1122202908 /nfs/dbraw/zinc/20/29/08/1122202908.db2.gz KYKKMNYYPVIUEE-LBPRGKRZSA-N 0 1 370.817 4.211 20 30 FIEDMN COc1ccc([C@@H]2C[C@@H](N(CCC#N)Cc3ccccc3)CCO2)cc1 ZINC001168632332 1122226743 /nfs/dbraw/zinc/22/67/43/1122226743.db2.gz ZQISFJOTFJWFJZ-UNMCSNQZSA-N 0 1 350.462 4.331 20 30 FIEDMN Cc1ccc(S(=O)(=O)Nc2cccc(OCCCC#N)c2)c(Cl)c1 ZINC000055639983 1122259655 /nfs/dbraw/zinc/25/96/55/1122259655.db2.gz AVTPWNQVOBKCGV-UHFFFAOYSA-N 0 1 364.854 4.132 20 30 FIEDMN COC(=O)c1coc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000542693092 1122289820 /nfs/dbraw/zinc/28/98/20/1122289820.db2.gz HUCIXXOCAWQNIW-HNNXBMFYSA-N 0 1 360.413 4.456 20 30 FIEDMN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000056156991 1122296233 /nfs/dbraw/zinc/29/62/33/1122296233.db2.gz ZVQBPOLVNZTEIP-CVEARBPZSA-N 0 1 351.450 4.023 20 30 FIEDMN CCN(CC(=O)N(Cc1ccccc1)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000497590670 1122299672 /nfs/dbraw/zinc/29/96/72/1122299672.db2.gz LVRGUEIZIVUUKD-GOSISDBHSA-N 0 1 361.489 4.132 20 30 FIEDMN Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c(C)n1C1CCCCC1 ZINC000068220029 1122328961 /nfs/dbraw/zinc/32/89/61/1122328961.db2.gz WFSSVJYGZHLTEY-UHFFFAOYSA-N 0 1 364.453 4.427 20 30 FIEDMN COc1ccc(C/N=C/c2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000917558054 1122352171 /nfs/dbraw/zinc/35/21/71/1122352171.db2.gz LNXFOVPODZHXGG-QGMBQPNBSA-N 0 1 355.177 4.235 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC000498063331 1122548390 /nfs/dbraw/zinc/54/83/90/1122548390.db2.gz UYMRGTHDVBNRPB-LLVKDONJSA-N 0 1 364.352 4.042 20 30 FIEDMN N#CCC[C@H](NCc1cnc2ccc(Br)cn12)c1ccccc1 ZINC000130379286 1122839727 /nfs/dbraw/zinc/83/97/27/1122839727.db2.gz SIWKHUZPSBCAAL-KRWDZBQOSA-N 0 1 369.266 4.231 20 30 FIEDMN O=C(C1CCCCC1)N1CC[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1 ZINC000155051540 1123086485 /nfs/dbraw/zinc/08/64/85/1123086485.db2.gz KEIVLXJTLOWAQP-SBUZPKSBSA-N 0 1 369.292 4.299 20 30 FIEDMN CCCN(C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000609316517 1123489293 /nfs/dbraw/zinc/48/92/93/1123489293.db2.gz PQFGUORIGNCIJE-UHFFFAOYSA-N 0 1 357.841 4.284 20 30 FIEDMN C[C@H](Nc1ccc(N2CCCCCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000921210267 1123584557 /nfs/dbraw/zinc/58/45/57/1123584557.db2.gz PLOACOLCWDEPNY-KRWDZBQOSA-N 0 1 362.477 4.378 20 30 FIEDMN CCN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000609847589 1123857864 /nfs/dbraw/zinc/85/78/64/1123857864.db2.gz VZVYKLWCUMAZMK-QGZVFWFLSA-N 0 1 370.456 4.342 20 30 FIEDMN Cc1ccc([C@@H]2[C@@H](C)CCCN2CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000610004219 1123914948 /nfs/dbraw/zinc/91/49/48/1123914948.db2.gz FLFAQHRDOKCVQD-RXVVDRJESA-N 0 1 353.510 4.111 20 30 FIEDMN N#CC(C(=O)[C@@H]1CCOc2ccccc21)c1nc2ccccc2n1C(F)F ZINC000170849165 1123940224 /nfs/dbraw/zinc/94/02/24/1123940224.db2.gz VFBOOTSCAOECMI-ZIAGYGMSSA-N 0 1 367.355 4.174 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(NC(=O)NC3CC3)c2)n1 ZINC000080450095 1123965873 /nfs/dbraw/zinc/96/58/73/1123965873.db2.gz GVEPGYDDCZEZPX-HNNXBMFYSA-N 0 1 368.462 4.040 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000067895628 1123982975 /nfs/dbraw/zinc/98/29/75/1123982975.db2.gz MRPFJQRTWNKCMT-CQSZACIVSA-N 0 1 356.447 4.107 20 30 FIEDMN N#Cc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000302202147 1124294681 /nfs/dbraw/zinc/29/46/81/1124294681.db2.gz HZZLLCLLMJJBSQ-UHFFFAOYSA-N 0 1 370.840 4.196 20 30 FIEDMN CC(C)(C)N1CC[C@H](Nc2cnc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302335212 1124302173 /nfs/dbraw/zinc/30/21/73/1124302173.db2.gz ATYKZPCJMZSYSE-WMZOPIPTSA-N 0 1 373.863 4.167 20 30 FIEDMN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000765908156 1124413245 /nfs/dbraw/zinc/41/32/45/1124413245.db2.gz JVVBGQOKBDWAJK-UXHICEINSA-N 0 1 371.444 4.264 20 30 FIEDMN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000763486023 1124503060 /nfs/dbraw/zinc/50/30/60/1124503060.db2.gz JTBBZBKNTUOQTQ-CQSZACIVSA-N 0 1 355.438 4.027 20 30 FIEDMN CC[C@H](C#N)Oc1cccc(CNCc2cn(C)nc2C2CCCC2)c1 ZINC000921743766 1124543914 /nfs/dbraw/zinc/54/39/14/1124543914.db2.gz RHRQHHKEIQHAHA-LJQANCHMSA-N 0 1 352.482 4.048 20 30 FIEDMN C[C@@H](NCC(=O)NCc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542945242 1124942391 /nfs/dbraw/zinc/94/23/91/1124942391.db2.gz NLHSFRUUMDOVCK-GOSISDBHSA-N 0 1 369.468 4.192 20 30 FIEDMN C=CCN1CC[C@@H](N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000499519792 1124992391 /nfs/dbraw/zinc/99/23/91/1124992391.db2.gz BPISMXKLTFXSOW-IAGOWNOFSA-N 0 1 352.400 4.019 20 30 FIEDMN C[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1cccc(C#N)c1 ZINC000181547628 1125015841 /nfs/dbraw/zinc/01/58/41/1125015841.db2.gz PFXMXMOGMOXEGT-INIZCTEOSA-N 0 1 356.429 4.056 20 30 FIEDMN CC(C)Sc1ccc([C@H](C)NCC(=O)Nc2sccc2C#N)cc1 ZINC000182105033 1125249069 /nfs/dbraw/zinc/24/90/69/1125249069.db2.gz AIAVTOHMTSFTIK-ZDUSSCGKSA-N 0 1 359.520 4.410 20 30 FIEDMN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(-n2cncn2)cc1Cl ZINC000618803321 1125284435 /nfs/dbraw/zinc/28/44/35/1125284435.db2.gz HYFUXQIYPOBMAP-XCLFUZPHSA-N 0 1 363.852 4.130 20 30 FIEDMN C#CCOc1ccc(Br)cc1CNCc1ccc(Cl)s1 ZINC000070211807 1125399215 /nfs/dbraw/zinc/39/92/15/1125399215.db2.gz DMPXPQYFQFURDU-UHFFFAOYSA-N 0 1 370.699 4.466 20 30 FIEDMN C[C@H]1c2ccsc2CCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000105419237 222368358 /nfs/dbraw/zinc/36/83/58/222368358.db2.gz YXVAYVLYYPREKG-LBPRGKRZSA-N 0 1 371.531 4.118 20 30 FIEDMN CC[C@@H]1[C@@H](C)CCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000481370226 567822037 /nfs/dbraw/zinc/82/20/37/567822037.db2.gz ITBJCPVQQLAHLS-IFXJQAMLSA-N 0 1 356.514 4.151 20 30 FIEDMN CC[C@H]1[C@@H](C)CCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000481370228 567823283 /nfs/dbraw/zinc/82/32/83/567823283.db2.gz ITBJCPVQQLAHLS-LIRRHRJNSA-N 0 1 356.514 4.151 20 30 FIEDMN CCCC[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000568637500 568103349 /nfs/dbraw/zinc/10/33/49/568103349.db2.gz PXMDUUGQUVCEAX-LJQANCHMSA-N 0 1 353.422 4.496 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cnn1C(C)(C)C ZINC000051656161 568139834 /nfs/dbraw/zinc/13/98/34/568139834.db2.gz XGQGJMYBJBGIFY-GFCCVEGCSA-N 0 1 371.391 4.181 20 30 FIEDMN Cc1ccc(-n2ncc(NC(=O)c3ccc(C#N)c(O)c3)c2C(C)C)cc1 ZINC000481872746 568144769 /nfs/dbraw/zinc/14/47/69/568144769.db2.gz UWVIGRLGAQZAEV-UHFFFAOYSA-N 0 1 360.417 4.134 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)c1 ZINC000303145655 568253262 /nfs/dbraw/zinc/25/32/62/568253262.db2.gz FEWYHPBSADUMPE-UHFFFAOYSA-N 0 1 351.381 4.423 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC(C)(C)CC1 ZINC000303852675 568282477 /nfs/dbraw/zinc/28/24/77/568282477.db2.gz DYVWDCFZUXNRSR-MRXNPFEDSA-N 0 1 359.539 4.389 20 30 FIEDMN COc1ccc(CNCc2ccc3ccccc3n2)cc1OCCCC#N ZINC000604512409 568306574 /nfs/dbraw/zinc/30/65/74/568306574.db2.gz DWHKDFCZGWRRAL-UHFFFAOYSA-N 0 1 361.445 4.216 20 30 FIEDMN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cn2cc(Cl)ccc2n1 ZINC000619508229 1125602691 /nfs/dbraw/zinc/60/26/91/1125602691.db2.gz WUGWEMRLGLDBRM-LJQANCHMSA-N 0 1 350.853 4.417 20 30 FIEDMN N#CC(C(=O)c1ccc2[nH]c(=O)oc2c1)c1nc(-c2ccccc2)cs1 ZINC000619753878 1125680846 /nfs/dbraw/zinc/68/08/46/1125680846.db2.gz RWGZZHMQGIXLNC-CYBMUJFWSA-N 0 1 361.382 4.147 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](C)c2ccsc2)c1C#N ZINC000619783651 1125696223 /nfs/dbraw/zinc/69/62/23/1125696223.db2.gz WHWDYYGNVSIDFB-AWEZNQCLSA-N 0 1 370.522 4.443 20 30 FIEDMN N#CC(C(=O)C=Cc1cccnc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000120910624 1081008546 /nfs/dbraw/zinc/00/85/46/1081008546.db2.gz NFDSHSZKEVWRPG-KTRBRXNASA-N 0 1 367.380 4.373 20 30 FIEDMN C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000608860126 1081117063 /nfs/dbraw/zinc/11/70/63/1081117063.db2.gz AUDOGJOTSYHJIP-HSZRJFAPSA-N 0 1 372.468 4.097 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H]2c3ccc(F)cc3O[C@@H]2C)ccc1OC ZINC000580003061 1081386424 /nfs/dbraw/zinc/38/64/24/1081386424.db2.gz FANZPYGXOGMYKT-SZNDQCEHSA-N 0 1 357.425 4.401 20 30 FIEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000610343953 1081501419 /nfs/dbraw/zinc/50/14/19/1081501419.db2.gz WZIYTZSRDHKNBE-CHWSQXEVSA-N 0 1 361.367 4.255 20 30 FIEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000610346633 1081506003 /nfs/dbraw/zinc/50/60/03/1081506003.db2.gz ZMGTVWKQCMPSRX-QWHCGFSZSA-N 0 1 361.367 4.255 20 30 FIEDMN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)CC12CC3CC(CC(C3)C1)C2 ZINC000610367368 1081551376 /nfs/dbraw/zinc/55/13/76/1081551376.db2.gz GONBYTZWQSHWPE-UHFFFAOYSA-N 0 1 362.477 4.256 20 30 FIEDMN COc1cc(/C=C2/CCc3cc(SC)ccc3C2=O)cc([N+](=O)[O-])c1O ZINC000748146506 1081572789 /nfs/dbraw/zinc/57/27/89/1081572789.db2.gz IYJBDSWKSAHDCX-QPEQYQDCSA-N 0 1 371.414 4.243 20 30 FIEDMN C=CCN(CC(=O)Nc1ccc(Br)cc1)CC1CCCCC1 ZINC001167387009 1081909847 /nfs/dbraw/zinc/90/98/47/1081909847.db2.gz NCEHXBMAFOXRST-UHFFFAOYSA-N 0 1 365.315 4.456 20 30 FIEDMN N#Cc1ccc(CN2CCCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000023752855 1081912943 /nfs/dbraw/zinc/91/29/43/1081912943.db2.gz YHAFTRNDZDSFMT-UHFFFAOYSA-N 0 1 369.468 4.060 20 30 FIEDMN C[C@H](C(=O)NC1CCCC1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000328745028 1081996119 /nfs/dbraw/zinc/99/61/19/1081996119.db2.gz OFGVGAZRRHOXBW-MRXNPFEDSA-N 0 1 357.498 4.143 20 30 FIEDMN CC(C)C[C@H](NC(=O)CNC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000579724282 1082015610 /nfs/dbraw/zinc/01/56/10/1082015610.db2.gz QWOULGOASDWGJU-NRFANRHFSA-N 0 1 361.489 4.041 20 30 FIEDMN O=C(C1CCCCC1)N1CC[C@H](/N=C\c2cc(Cl)cc(Cl)c2O)C1 ZINC000255267245 1082313484 /nfs/dbraw/zinc/31/34/84/1082313484.db2.gz KEIVLXJTLOWAQP-UNUHRMFVSA-N 0 1 369.292 4.299 20 30 FIEDMN CCC(=O)Nc1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430602996 1082573100 /nfs/dbraw/zinc/57/31/00/1082573100.db2.gz XJQBORPATGRYKI-AWEZNQCLSA-N 0 1 355.463 4.279 20 30 FIEDMN CCC(=O)Nc1cccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430602996 1082573106 /nfs/dbraw/zinc/57/31/06/1082573106.db2.gz XJQBORPATGRYKI-AWEZNQCLSA-N 0 1 355.463 4.279 20 30 FIEDMN CN(C)C(=O)Nc1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430620657 1082726600 /nfs/dbraw/zinc/72/66/00/1082726600.db2.gz CGTZUXKTBLXHOA-CQSZACIVSA-N 0 1 370.478 4.024 20 30 FIEDMN C=C1CCC(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001266811738 1082854959 /nfs/dbraw/zinc/85/49/59/1082854959.db2.gz AJUPPTZHPDPRQU-LPHOPBHVSA-N 0 1 364.892 4.335 20 30 FIEDMN N#CC(C(=O)NC1CCCCC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000155740348 1082872294 /nfs/dbraw/zinc/87/22/94/1082872294.db2.gz NCSUWBUBHUOSPT-LBPRGKRZSA-N 0 1 361.417 4.144 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000610598336 1083255212 /nfs/dbraw/zinc/25/52/12/1083255212.db2.gz POLIZXWWOAITLM-PMACEKPBSA-N 0 1 365.477 4.033 20 30 FIEDMN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377244 1083361593 /nfs/dbraw/zinc/36/15/93/1083361593.db2.gz ZPYVNHHVIIEIBI-HFBAOOFYSA-N 0 1 365.458 4.105 20 30 FIEDMN N#CC(C(=O)c1csc(Br)c1)c1nc(C2CC2)cs1 ZINC000647376916 1083362271 /nfs/dbraw/zinc/36/22/71/1083362271.db2.gz DEKIGJQDOWHWAK-SECBINFHSA-N 0 1 353.266 4.335 20 30 FIEDMN N#C[C@H](C(=O)c1csc(Br)c1)c1nc(C2CC2)cs1 ZINC000647376916 1083362279 /nfs/dbraw/zinc/36/22/79/1083362279.db2.gz DEKIGJQDOWHWAK-SECBINFHSA-N 0 1 353.266 4.335 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCC(C)(C)C2)cc1Cl ZINC000179383267 1083441112 /nfs/dbraw/zinc/44/11/12/1083441112.db2.gz ZSWPXTQOPLPUTM-TZMCWYRMSA-N 0 1 362.857 4.212 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc1O ZINC000188407388 1083549096 /nfs/dbraw/zinc/54/90/96/1083549096.db2.gz WUPXWDLJDTZXEF-UHFFFAOYSA-N 0 1 370.714 4.111 20 30 FIEDMN Cc1cc(C(C#N)C(=O)CCCc2ccc(Br)cc2)nc(C)n1 ZINC000892474998 1083591614 /nfs/dbraw/zinc/59/16/14/1083591614.db2.gz HWCRYQHMNSSRCZ-MRXNPFEDSA-N 0 1 372.266 4.055 20 30 FIEDMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000179751937 1083615676 /nfs/dbraw/zinc/61/56/76/1083615676.db2.gz KEXZRKRRWNFVQE-KBXCAEBGSA-N 0 1 369.465 4.235 20 30 FIEDMN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CCC(=O)Nc1sccc1C#N ZINC000535792191 1083665256 /nfs/dbraw/zinc/66/52/56/1083665256.db2.gz OTRSSVZWTSEZJS-CHWSQXEVSA-N 0 1 357.454 4.095 20 30 FIEDMN Cc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)cc2F)cc1Cl ZINC000610812754 1083724462 /nfs/dbraw/zinc/72/44/62/1083724462.db2.gz OGOBMIFPBANICP-CYBMUJFWSA-N 0 1 359.832 4.166 20 30 FIEDMN Cc1oc(NC(=O)CN(CCc2ccc(F)cc2)CC(C)C)c(C#N)c1C ZINC000610930791 1083850623 /nfs/dbraw/zinc/85/06/23/1083850623.db2.gz UZSRMADQKMZOCU-UHFFFAOYSA-N 0 1 371.456 4.046 20 30 FIEDMN N#Cc1ccc(CNCc2cc3ccccc3nc2N2CCCCC2)cc1 ZINC000725845739 1084014457 /nfs/dbraw/zinc/01/44/57/1084014457.db2.gz KVRIYIISTQLPKN-UHFFFAOYSA-N 0 1 356.473 4.387 20 30 FIEDMN C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000612825448 1084105890 /nfs/dbraw/zinc/10/58/90/1084105890.db2.gz DYJQXGANGYJEFN-OAHLLOKOSA-N 0 1 351.899 4.002 20 30 FIEDMN C=CCc1ccccc1OC[C@H](O)CN(C)Cc1ccc(Cl)s1 ZINC000612825448 1084105901 /nfs/dbraw/zinc/10/59/01/1084105901.db2.gz DYJQXGANGYJEFN-OAHLLOKOSA-N 0 1 351.899 4.002 20 30 FIEDMN N#Cc1ccccc1COc1cccc(CN[C@@H](CO)c2ccsc2)c1 ZINC000472044614 1084173995 /nfs/dbraw/zinc/17/39/95/1084173995.db2.gz ZTUAKEXWPDRJEW-NRFANRHFSA-N 0 1 364.470 4.022 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C=Cc3ccccc3C#N)[nH]c2c1 ZINC000255880920 1084332779 /nfs/dbraw/zinc/33/27/79/1084332779.db2.gz VVYUSUMMIADBOB-XADARROHSA-N 0 1 356.429 4.120 20 30 FIEDMN COc1cc(CN(C)Cc2cc(Br)cs2)ccc1C#N ZINC000234927396 1084547244 /nfs/dbraw/zinc/54/72/44/1084547244.db2.gz JSJZJGHWOMGXEG-UHFFFAOYSA-N 0 1 351.269 4.023 20 30 FIEDMN N#CC(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccccn1 ZINC000066506961 1084589606 /nfs/dbraw/zinc/58/96/06/1084589606.db2.gz PHWUPZSHSOOZHW-NSHDSACASA-N 0 1 359.863 4.339 20 30 FIEDMN Cc1ccc([C@H](NCC(C)(C)CC#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414160418 1084723176 /nfs/dbraw/zinc/72/31/76/1084723176.db2.gz CXTHZMGRBFAHDM-FQEVSTJZSA-N 0 1 370.518 4.017 20 30 FIEDMN C[C@@H](N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000540705913 1084888608 /nfs/dbraw/zinc/88/86/08/1084888608.db2.gz SLMPIXMNNGXIMB-DIFFPNOSSA-N 0 1 352.331 4.100 20 30 FIEDMN CN(C)C(=O)c1cccc(CC/N=C\c2cc(Cl)cc(Cl)c2O)c1 ZINC000255896095 1084905246 /nfs/dbraw/zinc/90/52/46/1084905246.db2.gz JGVNHDLSKYGGEZ-NHDPSOOVSA-N 0 1 365.260 4.062 20 30 FIEDMN Cc1cc(C#N)ccc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000178568490 1084919917 /nfs/dbraw/zinc/91/99/17/1084919917.db2.gz YSDIPAOCRNPBRH-QFIPXVFZSA-N 0 1 366.424 4.262 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000582560736 1085144389 /nfs/dbraw/zinc/14/43/89/1085144389.db2.gz CAHAWYVAYSLKHB-UHFFFAOYSA-N 0 1 364.405 4.027 20 30 FIEDMN C[C@@H](c1nc2ccccc2s1)N(C)CCC(=O)Nc1ccccc1C#N ZINC000198386845 1085178057 /nfs/dbraw/zinc/17/80/57/1085178057.db2.gz IALOOTBSVBNUOW-AWEZNQCLSA-N 0 1 364.474 4.190 20 30 FIEDMN CC(C)n1cc(C2=CCCN(CC#Cc3ccc(Cl)cc3)CC2)nn1 ZINC000660718270 1085237456 /nfs/dbraw/zinc/23/74/56/1085237456.db2.gz RXMBDIUZDKLXPZ-UHFFFAOYSA-N 0 1 354.885 4.043 20 30 FIEDMN Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1C ZINC000684948499 1085285677 /nfs/dbraw/zinc/28/56/77/1085285677.db2.gz MNEOXKVSDXYNEV-GFCCVEGCSA-N 0 1 357.385 4.225 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1C ZINC000684948499 1085285683 /nfs/dbraw/zinc/28/56/83/1085285683.db2.gz MNEOXKVSDXYNEV-GFCCVEGCSA-N 0 1 357.385 4.225 20 30 FIEDMN C=CCC[C@@H](NC(=O)N(C)Cc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000660939250 1085324623 /nfs/dbraw/zinc/32/46/23/1085324623.db2.gz KOGDKSVZFIPPDU-MRXNPFEDSA-N 0 1 366.387 4.277 20 30 FIEDMN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000661117608 1085401477 /nfs/dbraw/zinc/40/14/77/1085401477.db2.gz SNJNLZKQYDPEFB-CJNGLKHVSA-N 0 1 374.485 4.154 20 30 FIEDMN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000044895777 1085455426 /nfs/dbraw/zinc/45/54/26/1085455426.db2.gz DINQWNXERSFFRU-MRXNPFEDSA-N 0 1 359.882 4.439 20 30 FIEDMN CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C)Cc1ccsc1 ZINC000187802433 1085566988 /nfs/dbraw/zinc/56/69/88/1085566988.db2.gz VRMNUWVXGAKCKD-CYBMUJFWSA-N 0 1 361.898 4.165 20 30 FIEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C1CCC(F)(F)CC1 ZINC000136601809 1085575929 /nfs/dbraw/zinc/57/59/29/1085575929.db2.gz CYLUDCUKAIOJFC-MRXNPFEDSA-N 0 1 362.420 4.284 20 30 FIEDMN N#CC(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1nc2ccccc2s1 ZINC000048823421 1085706075 /nfs/dbraw/zinc/70/60/75/1085706075.db2.gz BRKRJBJMNRYTGN-LBPRGKRZSA-N 0 1 362.370 4.176 20 30 FIEDMN N#C[C@@H](C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1nc2ccccc2s1 ZINC000048823421 1085706080 /nfs/dbraw/zinc/70/60/80/1085706080.db2.gz BRKRJBJMNRYTGN-LBPRGKRZSA-N 0 1 362.370 4.176 20 30 FIEDMN N#Cc1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)c(F)c1 ZINC000066905994 1085761780 /nfs/dbraw/zinc/76/17/80/1085761780.db2.gz PAONLBXQKRWAKQ-UHFFFAOYSA-N 0 1 371.415 4.438 20 30 FIEDMN C=CC[N@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CC1CCCCC1 ZINC000582127171 1085857978 /nfs/dbraw/zinc/85/79/78/1085857978.db2.gz KVYCPXQQZFQZEY-UHFFFAOYSA-N 0 1 351.874 4.485 20 30 FIEDMN Cc1cc(C#N)ccc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000178705203 1085906372 /nfs/dbraw/zinc/90/63/72/1085906372.db2.gz UXBXAAJKUTZHPB-UHFFFAOYSA-N 0 1 353.385 4.057 20 30 FIEDMN C=CCC(CC=C)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000467747211 1086597832 /nfs/dbraw/zinc/59/78/32/1086597832.db2.gz PVGXNGIADYRDDI-NRFANRHFSA-N 0 1 356.510 4.107 20 30 FIEDMN C=CCOc1ccc(CNCc2cc(F)ccc2OC(F)F)cc1OC ZINC000657782579 1086914271 /nfs/dbraw/zinc/91/42/71/1086914271.db2.gz OBYIZIFFDAHMSN-UHFFFAOYSA-N 0 1 367.367 4.290 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C)C[C@H](C)C1 ZINC000246786257 1086957353 /nfs/dbraw/zinc/95/73/53/1086957353.db2.gz RZFKEURABFJFEL-IXDOHACOSA-N 0 1 359.539 4.387 20 30 FIEDMN COc1ccc(C(=O)N(C)C)cc1N=Cc1cc(Cl)cc(Cl)c1O ZINC000255591961 1087355042 /nfs/dbraw/zinc/35/50/42/1087355042.db2.gz CJDFPGLZPUIOCY-UHFFFAOYSA-N 0 1 367.232 4.160 20 30 FIEDMN C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(C)cc(C(F)(F)F)c1)C2 ZINC001143455217 1087383113 /nfs/dbraw/zinc/38/31/13/1087383113.db2.gz SZBVBSXPKKKKRP-RTBURBONSA-N 0 1 369.427 4.340 20 30 FIEDMN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)cc(C(F)(F)F)c1)C2 ZINC001143455217 1087383120 /nfs/dbraw/zinc/38/31/20/1087383120.db2.gz SZBVBSXPKKKKRP-RTBURBONSA-N 0 1 369.427 4.340 20 30 FIEDMN CN(C)C(=O)Sc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000176893791 1087569592 /nfs/dbraw/zinc/56/95/92/1087569592.db2.gz ATSBDDLTVOTFMG-UHFFFAOYSA-N 0 1 365.502 4.497 20 30 FIEDMN Cc1ccncc1[C@@H](C)NCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000611939357 1087596607 /nfs/dbraw/zinc/59/66/07/1087596607.db2.gz JMXGKDJMVCUADS-HZPDHXFCSA-N 0 1 368.506 4.074 20 30 FIEDMN N#Cc1cccc(OCCN[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180578943 1087966773 /nfs/dbraw/zinc/96/67/73/1087966773.db2.gz FWTQGLSNYTXLAW-KRWDZBQOSA-N 0 1 352.331 4.359 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN2CCC[C@@H](c3nccs3)C2)cc1 ZINC000177088990 1088206173 /nfs/dbraw/zinc/20/61/73/1088206173.db2.gz XZSCTKRXGVHGJW-OAHLLOKOSA-N 0 1 350.409 4.393 20 30 FIEDMN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2c(O)cccc2Cl)n1 ZINC000782841299 1088233497 /nfs/dbraw/zinc/23/34/97/1088233497.db2.gz AEVWPIFAROYQEO-UHFFFAOYSA-N 0 1 373.199 4.009 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccccc1C#N ZINC000181279605 1088294938 /nfs/dbraw/zinc/29/49/38/1088294938.db2.gz JWUDUKAHJZZGRL-IRXDYDNUSA-N 0 1 370.456 4.298 20 30 FIEDMN CC[N@@H+](Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1)C1CC1 ZINC000587988842 1088326323 /nfs/dbraw/zinc/32/63/23/1088326323.db2.gz YECGNWUEJZLUIO-GOSISDBHSA-N 0 1 359.429 4.302 20 30 FIEDMN CC(C)c1[nH]ncc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000189099718 1088409027 /nfs/dbraw/zinc/40/90/27/1088409027.db2.gz SPZNHJSPOQLSGC-UHFFFAOYSA-N 0 1 360.417 4.236 20 30 FIEDMN COc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)cc1Br ZINC000120155262 1088490107 /nfs/dbraw/zinc/49/01/07/1088490107.db2.gz POKJKXULCCMRNE-LLVKDONJSA-N 0 1 363.230 4.319 20 30 FIEDMN Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)N2CCCC2)o1 ZINC000513934958 1088544520 /nfs/dbraw/zinc/54/45/20/1088544520.db2.gz AZYFEAYBJXPGCL-KRWDZBQOSA-N 0 1 372.856 4.072 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)Nc3cc(Cl)ccc3Cl)[nH]c21 ZINC000505423878 1088658514 /nfs/dbraw/zinc/65/85/14/1088658514.db2.gz XMQDRUQHAZHQCF-NSHDSACASA-N 0 1 359.216 4.424 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)CSCc1cccc(Cl)c1 ZINC000122255042 1088747057 /nfs/dbraw/zinc/74/70/57/1088747057.db2.gz YPCMBBMHIZFSNM-OAHLLOKOSA-N 0 1 369.877 4.336 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCC(C)(C)CCC#N)[nH]c2c1 ZINC000377028578 1088980667 /nfs/dbraw/zinc/98/06/67/1088980667.db2.gz GTGYDJVTRGAORA-QGZVFWFLSA-N 0 1 353.470 4.048 20 30 FIEDMN C=CCC[C@@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccccc1 ZINC000434990902 1089190453 /nfs/dbraw/zinc/19/04/53/1089190453.db2.gz JYBGBACYVGJDQS-MOPGFXCFSA-N 0 1 357.523 4.358 20 30 FIEDMN CC(C)c1csc([C@H](C#N)C(=O)CCCCNC(=O)OC(C)(C)C)n1 ZINC000781815826 1089220375 /nfs/dbraw/zinc/22/03/75/1089220375.db2.gz RFYPTOZOQBYDDI-CYBMUJFWSA-N 0 1 365.499 4.138 20 30 FIEDMN CC1(C)CN(Cc2cn(CCC#N)nc2-c2ccncc2)Cc2ccccc21 ZINC000435125849 1089307964 /nfs/dbraw/zinc/30/79/64/1089307964.db2.gz ZGGNXNLXYGOAJL-UHFFFAOYSA-N 0 1 371.488 4.152 20 30 FIEDMN COc1ccc(CN[C@@H]2c3ccc(F)cc3O[C@@H]2C)cc1OCCCC#N ZINC000377397656 1089312545 /nfs/dbraw/zinc/31/25/45/1089312545.db2.gz KKYFRZWBMZCIBG-SZNDQCEHSA-N 0 1 370.424 4.129 20 30 FIEDMN Cc1cccc([C@@H]2CCCN2C([O-])=[NH+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000330108226 1089392724 /nfs/dbraw/zinc/39/27/24/1089392724.db2.gz NHRPRAMVLBVPLB-PMACEKPBSA-N 0 1 366.509 4.381 20 30 FIEDMN C[C@H]1c2ccccc2CN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000542135642 1089482717 /nfs/dbraw/zinc/48/27/17/1089482717.db2.gz RJBKKCSWYNSTOB-ZDUSSCGKSA-N 0 1 351.475 4.014 20 30 FIEDMN CSc1cc2c(cc1CN(C)[C@@H](C)c1cccc(C#N)c1)OCCO2 ZINC000425365128 1089590756 /nfs/dbraw/zinc/59/07/56/1089590756.db2.gz IWWUDLWNXAMEJZ-AWEZNQCLSA-N 0 1 354.475 4.244 20 30 FIEDMN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(Cl)c1OC ZINC000418150055 1091083405 /nfs/dbraw/zinc/08/34/05/1091083405.db2.gz VUKTYBQZQWEQPP-QGZVFWFLSA-N 0 1 356.853 4.396 20 30 FIEDMN C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC000759786458 1091088285 /nfs/dbraw/zinc/08/82/85/1091088285.db2.gz ILJGTMDMGHMGQF-UHFFFAOYSA-N 0 1 350.340 4.120 20 30 FIEDMN N#CC(C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1CC12CCC2 ZINC000759835663 1091279842 /nfs/dbraw/zinc/27/98/42/1091279842.db2.gz SPYQXIIILGQNHF-IAGOWNOFSA-N 0 1 360.413 4.316 20 30 FIEDMN Cc1cc(CN[C@H]2CCOc3c(Br)cccc32)ccc1C#N ZINC000500401968 1091438473 /nfs/dbraw/zinc/43/84/73/1091438473.db2.gz YGSIFCSGVGJJIP-KRWDZBQOSA-N 0 1 357.251 4.243 20 30 FIEDMN C=CCOc1ccc(CN2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000124026938 1091634314 /nfs/dbraw/zinc/63/43/14/1091634314.db2.gz YFVKRITWIKSIEQ-UHFFFAOYSA-N 0 1 351.446 4.052 20 30 FIEDMN C=CCOc1ccc(C[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000124026938 1091634326 /nfs/dbraw/zinc/63/43/26/1091634326.db2.gz YFVKRITWIKSIEQ-UHFFFAOYSA-N 0 1 351.446 4.052 20 30 FIEDMN Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(OC[C@H]2CCCO2)c1 ZINC000124274818 1091748603 /nfs/dbraw/zinc/74/86/03/1091748603.db2.gz AKNWCEFYBFLSKN-DYESRHJHSA-N 0 1 350.462 4.275 20 30 FIEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(C)c(Br)c1 ZINC000512211940 1091913272 /nfs/dbraw/zinc/91/32/72/1091913272.db2.gz JNTVSGUNTDODFP-UHFFFAOYSA-N 0 1 364.283 4.421 20 30 FIEDMN COc1cc(C[N@@H+](CCC#N)CC2CC2)c(-c2ccccc2)cc1OC ZINC000093091350 1092249051 /nfs/dbraw/zinc/24/90/51/1092249051.db2.gz AECSPYLBQCFKQB-UHFFFAOYSA-N 0 1 350.462 4.496 20 30 FIEDMN COc1cc(CN(CCC#N)CC2CC2)c(-c2ccccc2)cc1OC ZINC000093091350 1092249062 /nfs/dbraw/zinc/24/90/62/1092249062.db2.gz AECSPYLBQCFKQB-UHFFFAOYSA-N 0 1 350.462 4.496 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ncccc1Oc1ccccc1 ZINC000442023105 1092388564 /nfs/dbraw/zinc/38/85/64/1092388564.db2.gz BWZDSSBWILWUNJ-INIZCTEOSA-N 0 1 368.396 4.251 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ncccc1Oc1ccccc1 ZINC000442023105 1092388569 /nfs/dbraw/zinc/38/85/69/1092388569.db2.gz BWZDSSBWILWUNJ-INIZCTEOSA-N 0 1 368.396 4.251 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ncccc1Oc1ccccc1 ZINC000442023109 1092388928 /nfs/dbraw/zinc/38/89/28/1092388928.db2.gz BWZDSSBWILWUNJ-MRXNPFEDSA-N 0 1 368.396 4.251 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ncccc1Oc1ccccc1 ZINC000442023109 1092388932 /nfs/dbraw/zinc/38/89/32/1092388932.db2.gz BWZDSSBWILWUNJ-MRXNPFEDSA-N 0 1 368.396 4.251 20 30 FIEDMN Cc1sc(Br)c(C(=O)C(C#N)c2cc(C)nc(C)n2)c1C ZINC000442138680 1092446580 /nfs/dbraw/zinc/44/65/80/1092446580.db2.gz QCUMDRHAFGYDDJ-NSHDSACASA-N 0 1 364.268 4.024 20 30 FIEDMN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000508385223 1092453624 /nfs/dbraw/zinc/45/36/24/1092453624.db2.gz DEYCBLZTBVPARP-DOTOQJQBSA-N 0 1 353.470 4.063 20 30 FIEDMN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000508385223 1092453626 /nfs/dbraw/zinc/45/36/26/1092453626.db2.gz DEYCBLZTBVPARP-DOTOQJQBSA-N 0 1 353.470 4.063 20 30 FIEDMN C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000508385501 1092535794 /nfs/dbraw/zinc/53/57/94/1092535794.db2.gz DEYCBLZTBVPARP-WBVHZDCISA-N 0 1 353.470 4.063 20 30 FIEDMN C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000508385501 1092535803 /nfs/dbraw/zinc/53/58/03/1092535803.db2.gz DEYCBLZTBVPARP-WBVHZDCISA-N 0 1 353.470 4.063 20 30 FIEDMN CC(C)CN(CC(=O)N[C@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000521196752 1092573846 /nfs/dbraw/zinc/57/38/46/1092573846.db2.gz YGBJEIHKBYOSJK-QGZVFWFLSA-N 0 1 367.468 4.033 20 30 FIEDMN C=C(C)CN(CCC(=O)Nc1cccc(F)c1C)Cc1cnn(C(C)C)c1 ZINC000512507124 1092598095 /nfs/dbraw/zinc/59/80/95/1092598095.db2.gz VDDDNBUSBOWCOU-UHFFFAOYSA-N 0 1 372.488 4.318 20 30 FIEDMN Cn1c2ccccc2nc1-c1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000442949783 1092869847 /nfs/dbraw/zinc/86/98/47/1092869847.db2.gz XEAQCFDKKXVPTO-UHFFFAOYSA-N 0 1 368.396 4.070 20 30 FIEDMN COc1cc(CN2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1C#N ZINC000443067146 1092925821 /nfs/dbraw/zinc/92/58/21/1092925821.db2.gz LHKIVSOQEWNSNU-GOSISDBHSA-N 0 1 366.852 4.434 20 30 FIEDMN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1Br ZINC000512620839 1092998800 /nfs/dbraw/zinc/99/88/00/1092998800.db2.gz SXWWZDCVHWHOOY-LLVKDONJSA-N 0 1 363.230 4.319 20 30 FIEDMN COc1cc([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)cc(OC)c1OC ZINC000512643046 1093058863 /nfs/dbraw/zinc/05/88/63/1093058863.db2.gz VBRPSMMTOBQHFY-QWHCGFSZSA-N 0 1 358.413 4.135 20 30 FIEDMN C[C@@H](NCc1cccc(OCC(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000512646611 1093075603 /nfs/dbraw/zinc/07/56/03/1093075603.db2.gz BRLKMBUJFJKZRV-GFCCVEGCSA-N 0 1 352.331 4.489 20 30 FIEDMN C=CCCc1ccccc1NS(=O)(=O)c1ccccc1Br ZINC000443422455 1093118508 /nfs/dbraw/zinc/11/85/08/1093118508.db2.gz JYMCFSFOQHLHIQ-UHFFFAOYSA-N 0 1 366.280 4.369 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](c2ccccc2)C1 ZINC000433059571 1093178414 /nfs/dbraw/zinc/17/84/14/1093178414.db2.gz ULJXFVXNYDNXLG-PZJWPPBQSA-N 0 1 361.489 4.201 20 30 FIEDMN N#CCCn1cc(CNCc2ccc3ccccc3n2)c(-c2ccccc2)n1 ZINC000522197835 1093202250 /nfs/dbraw/zinc/20/22/50/1093202250.db2.gz KTSYPGAENDUFRR-UHFFFAOYSA-N 0 1 367.456 4.302 20 30 FIEDMN COc1cc(CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000512854391 1093454529 /nfs/dbraw/zinc/45/45/29/1093454529.db2.gz AZHAKUAMZUEXLJ-QGZVFWFLSA-N 0 1 365.260 4.087 20 30 FIEDMN C=CCC[C@H](O)CN1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000433305501 1093560012 /nfs/dbraw/zinc/56/00/12/1093560012.db2.gz PQYDEKZCBDNMTD-IRXDYDNUSA-N 0 1 357.416 4.184 20 30 FIEDMN COc1cccc(CCCN(C)Cc2ccc(Br)cc2C#N)c1 ZINC001141816835 1093597109 /nfs/dbraw/zinc/59/71/09/1093597109.db2.gz NGEDYNLEMFHGMM-UHFFFAOYSA-N 0 1 373.294 4.394 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000614386731 1093804431 /nfs/dbraw/zinc/80/44/31/1093804431.db2.gz XDIPXQBELSRWMO-NSHDSACASA-N 0 1 371.428 4.487 20 30 FIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cc3ccccc3o2)c(C#N)c1C ZINC000182630578 1094140434 /nfs/dbraw/zinc/14/04/34/1094140434.db2.gz TYRHVGXNKWQWFQ-CHWSQXEVSA-N 0 1 351.406 4.192 20 30 FIEDMN N#Cc1ccc(CN2CCN(c3ccnc4ccc(Cl)cc43)CC2)cc1 ZINC000513619396 1094239641 /nfs/dbraw/zinc/23/96/41/1094239641.db2.gz MARVBGWQIHKLJZ-UHFFFAOYSA-N 0 1 362.864 4.082 20 30 FIEDMN FC(F)(F)Cc1ncc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)s1 ZINC000896225219 1094478030 /nfs/dbraw/zinc/47/80/30/1094478030.db2.gz VVQBTCKFBOQSON-JTQLQIEISA-N 0 1 362.314 4.114 20 30 FIEDMN Cc1nc(Cc2ccccc2)sc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000041494212 1094619479 /nfs/dbraw/zinc/61/94/79/1094619479.db2.gz MZFQHBSSRPETKZ-OAHLLOKOSA-N 0 1 372.453 4.409 20 30 FIEDMN Cc1nc(-c2ccccc2)sc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000041496120 1094620102 /nfs/dbraw/zinc/62/01/02/1094620102.db2.gz HBWKIMSAFXOINF-AWEZNQCLSA-N 0 1 358.426 4.485 20 30 FIEDMN COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1OCC(C)C ZINC000041546612 1094649292 /nfs/dbraw/zinc/64/92/92/1094649292.db2.gz GEDUCTZXYVHVDZ-HNNXBMFYSA-N 0 1 364.401 4.361 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc3ccccc3o2)ccc1OCC(C)C ZINC000041546612 1094649301 /nfs/dbraw/zinc/64/93/01/1094649301.db2.gz GEDUCTZXYVHVDZ-HNNXBMFYSA-N 0 1 364.401 4.361 20 30 FIEDMN CN(CCc1cnccn1)C(=O)N[C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000329224937 1094788423 /nfs/dbraw/zinc/78/84/23/1094788423.db2.gz FVNMQTMNESHFDF-DNVCBOLYSA-N 0 1 364.493 4.165 20 30 FIEDMN COc1ccccc1CCN(C)Cc1cc(Br)ccc1C#N ZINC001141903100 1094797328 /nfs/dbraw/zinc/79/73/28/1094797328.db2.gz QJTHTYBHRWBHQL-UHFFFAOYSA-N 0 1 359.267 4.004 20 30 FIEDMN C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+]C[C@H]2CCCn3ccnc32)CC1 ZINC000329285536 1094818699 /nfs/dbraw/zinc/81/86/99/1094818699.db2.gz OWFUXAHEAOUYMU-GCJKJVERSA-N 0 1 366.509 4.118 20 30 FIEDMN O=C(NC1CCC(c2ccc(F)cc2)CC1)N[C@H]1CCCc2cn[nH]c21 ZINC000329311421 1094837208 /nfs/dbraw/zinc/83/72/08/1094837208.db2.gz RBARTGAAXSWAGW-UYJHFMRCSA-N 0 1 356.445 4.156 20 30 FIEDMN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329332989 1094846349 /nfs/dbraw/zinc/84/63/49/1094846349.db2.gz NCVKQRAOVDJKDK-MRXNPFEDSA-N 0 1 373.526 4.406 20 30 FIEDMN C[C@@H](Nc1cccc(NC(=O)CN2CCCCCC2)c1)[C@@H]1CCCOC1 ZINC000329339459 1094847644 /nfs/dbraw/zinc/84/76/44/1094847644.db2.gz NSDRYKVLIQUVFM-QZTJIDSGSA-N 0 1 359.514 4.378 20 30 FIEDMN C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000329424792 1094899546 /nfs/dbraw/zinc/89/95/46/1094899546.db2.gz GQBZAIBQPQAZAZ-WBVHZDCISA-N 0 1 373.545 4.319 20 30 FIEDMN Cc1cscc1NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000329429941 1094901044 /nfs/dbraw/zinc/90/10/44/1094901044.db2.gz HZFUYKNBZLCEEM-HNNXBMFYSA-N 0 1 367.478 4.267 20 30 FIEDMN C[C@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc2c(c1)CCCC2 ZINC000329514593 1094947539 /nfs/dbraw/zinc/94/75/39/1094947539.db2.gz LYGNWUGAXBEMSS-HNNXBMFYSA-N 0 1 352.482 4.143 20 30 FIEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000501853491 1094970589 /nfs/dbraw/zinc/97/05/89/1094970589.db2.gz UQDXCMGHHXDKQH-MRXNPFEDSA-N 0 1 372.472 4.246 20 30 FIEDMN C[C@@H]1CCN(C(=O)Nc2nc3c(s2)CCCC3(C)C)C[C@H]1n1ccnc1 ZINC000329562233 1094974637 /nfs/dbraw/zinc/97/46/37/1094974637.db2.gz JMIWKJNEUOSOPH-ZIAGYGMSSA-N 0 1 373.526 4.082 20 30 FIEDMN O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)[C@H]1C[C@@]12CCOC2 ZINC000329612360 1095003256 /nfs/dbraw/zinc/00/32/56/1095003256.db2.gz OKTVVBSKYQDQJH-FOIQADDNSA-N 0 1 351.381 4.384 20 30 FIEDMN Cc1cnn([C@H]2CCN(C(=O)NC3CCC(c4ccc(F)cc4)CC3)C2)c1 ZINC000329666478 1095080906 /nfs/dbraw/zinc/08/09/06/1095080906.db2.gz QGVRTHSVEPJNJG-UUKMXZOPSA-N 0 1 370.472 4.218 20 30 FIEDMN C=C(C)[C@H](NCc1ccc(CN2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000420924131 1095167138 /nfs/dbraw/zinc/16/71/38/1095167138.db2.gz RXILZWWTZFIDSX-QFIPXVFZSA-N 0 1 372.459 4.204 20 30 FIEDMN N#Cc1cc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)nc2ccccc12 ZINC000502167424 1095170352 /nfs/dbraw/zinc/17/03/52/1095170352.db2.gz KCUFZVDOPRYMFU-IBGZPJMESA-N 0 1 366.428 4.233 20 30 FIEDMN N#Cc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)nc2ccccc12 ZINC000502167424 1095170365 /nfs/dbraw/zinc/17/03/65/1095170365.db2.gz KCUFZVDOPRYMFU-IBGZPJMESA-N 0 1 366.428 4.233 20 30 FIEDMN CC(C)c1nc([C@@H]2CCCCN2CC(=O)Nc2cc(F)ccc2F)n[nH]1 ZINC000329863250 1095297696 /nfs/dbraw/zinc/29/76/96/1095297696.db2.gz ZAHZOCFKWKTXIO-HNNXBMFYSA-N 0 1 363.412 4.022 20 30 FIEDMN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1CCc3c(cccc3C(C)C)C1)CCC2 ZINC000329918831 1095313838 /nfs/dbraw/zinc/31/38/38/1095313838.db2.gz GCYWELJXZUVMCE-KRWDZBQOSA-N 0 1 366.509 4.165 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H]([NH+]=C([O-])N1CCC(c3ccsc3)CC1)CC2 ZINC000330036079 1095360279 /nfs/dbraw/zinc/36/02/79/1095360279.db2.gz CIGBGHDHGMBNLQ-SFHVURJKSA-N 0 1 372.538 4.176 20 30 FIEDMN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000330101561 1095382288 /nfs/dbraw/zinc/38/22/88/1095382288.db2.gz ICWIPAVZRGROIH-DOTOQJQBSA-N 0 1 372.538 4.306 20 30 FIEDMN C[C@H](C(=O)N[C@H]1CCCc2cn[nH]c21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000330139278 1095392734 /nfs/dbraw/zinc/39/27/34/1095392734.db2.gz WCWXMPSZXARJBH-UZLBHIALSA-N 0 1 366.509 4.087 20 30 FIEDMN C[C@H](C(=O)N[C@H]1CCCc2c[nH]nc21)N1CCC(Cc2ccccc2)CC1 ZINC000330139278 1095392751 /nfs/dbraw/zinc/39/27/51/1095392751.db2.gz WCWXMPSZXARJBH-UZLBHIALSA-N 0 1 366.509 4.087 20 30 FIEDMN C[C@@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)C1(c2ccccc2)CCCC1 ZINC000330137520 1095393517 /nfs/dbraw/zinc/39/35/17/1095393517.db2.gz UXZKDBOHGPHESU-QGZVFWFLSA-N 0 1 366.509 4.404 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000330180259 1095406503 /nfs/dbraw/zinc/40/65/03/1095406503.db2.gz FWOQWGACCOFYHK-XLIONFOSSA-N 0 1 360.461 4.102 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCC[C@@H](c2ccccc2)C1)N1CCC(c2ncc[nH]2)CC1 ZINC000330184821 1095407699 /nfs/dbraw/zinc/40/76/99/1095407699.db2.gz QYXWGXQITPOGPN-RTBURBONSA-N 0 1 352.482 4.230 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000330188091 1095409599 /nfs/dbraw/zinc/40/95/99/1095409599.db2.gz UGOLRBOXRMXVHL-NMLBUPMWSA-N 0 1 364.493 4.359 20 30 FIEDMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)NC1CCCCCC1 ZINC000330253983 1095437719 /nfs/dbraw/zinc/43/77/19/1095437719.db2.gz JDNKHRDZTXNNTK-IEBWSBKVSA-N 0 1 350.890 4.439 20 30 FIEDMN N#Cc1cc(NC(=O)c2ccc(CN3CCSCC3)cc2)ccc1Cl ZINC000513746607 1095495099 /nfs/dbraw/zinc/49/50/99/1095495099.db2.gz AIODKPDDJMQDTA-UHFFFAOYSA-N 0 1 371.893 4.013 20 30 FIEDMN Cc1oc(NC(=O)CN[C@@H](C)c2oc3ccccc3c2C)c(C#N)c1C ZINC000183574251 1095673564 /nfs/dbraw/zinc/67/35/64/1095673564.db2.gz QDFBGGDMPNFWGP-ZDUSSCGKSA-N 0 1 351.406 4.112 20 30 FIEDMN C[C@H](NCc1ccc(C#N)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000421879546 1095972834 /nfs/dbraw/zinc/97/28/34/1095972834.db2.gz NIJQTGJIUJVEOX-AWEZNQCLSA-N 0 1 374.531 4.187 20 30 FIEDMN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000515409254 1098559905 /nfs/dbraw/zinc/55/99/05/1098559905.db2.gz LLYCEDQSMAKVEU-UHFFFAOYSA-N 0 1 358.445 4.247 20 30 FIEDMN COc1cc(CN2CCC(C#N)(c3ccccn3)CC2)cc2ccccc21 ZINC000515458864 1098597463 /nfs/dbraw/zinc/59/74/63/1098597463.db2.gz OSHVUIJVQJXGRO-UHFFFAOYSA-N 0 1 357.457 4.301 20 30 FIEDMN C=CCCCCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532967055 1098635600 /nfs/dbraw/zinc/63/56/00/1098635600.db2.gz JIDYVVYUGLTFCI-CYBMUJFWSA-N 0 1 353.850 4.253 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)CC2CCC2)c1C#N ZINC000532982975 1098652266 /nfs/dbraw/zinc/65/22/66/1098652266.db2.gz WWEKDRRWKKCSJI-UHFFFAOYSA-N 0 1 356.514 4.152 20 30 FIEDMN Cc1oc(NC(=O)CN(Cc2ccccc2)CC(C)(C)C)c(C#N)c1C ZINC000436210871 1098818361 /nfs/dbraw/zinc/81/83/61/1098818361.db2.gz OSASQIVAEMUUFM-UHFFFAOYSA-N 0 1 353.466 4.255 20 30 FIEDMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H]1c1ccsc1 ZINC000533238689 1098909770 /nfs/dbraw/zinc/90/97/70/1098909770.db2.gz CBUGQGDQXIXMCX-WXNRQPJFSA-N 0 1 359.539 4.204 20 30 FIEDMN C[N@@H+](Cc1cccc(O)c1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000533255670 1098916130 /nfs/dbraw/zinc/91/61/30/1098916130.db2.gz GBIHPZHYGPVTAN-UHFFFAOYSA-N 0 1 358.441 4.475 20 30 FIEDMN CN(Cc1cccc(O)c1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000533255670 1098916136 /nfs/dbraw/zinc/91/61/36/1098916136.db2.gz GBIHPZHYGPVTAN-UHFFFAOYSA-N 0 1 358.441 4.475 20 30 FIEDMN CCN(CC)[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)c1ccccc1 ZINC000505796922 1098952510 /nfs/dbraw/zinc/95/25/10/1098952510.db2.gz RNNQMMHBTXJLLL-OALUTQOASA-N 0 1 355.869 4.104 20 30 FIEDMN CC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000533300458 1098952694 /nfs/dbraw/zinc/95/26/94/1098952694.db2.gz XMKCEPYVMBDAJR-GOSISDBHSA-N 0 1 355.869 4.103 20 30 FIEDMN CC[C@H](Cc1ccccc1)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000533300458 1098952695 /nfs/dbraw/zinc/95/26/95/1098952695.db2.gz XMKCEPYVMBDAJR-GOSISDBHSA-N 0 1 355.869 4.103 20 30 FIEDMN COc1cc(CNCc2ccc(C#N)cc2F)ccc1OC1CCCC1 ZINC000533448819 1099059452 /nfs/dbraw/zinc/05/94/52/1099059452.db2.gz AQBTWMJXAUVCIS-UHFFFAOYSA-N 0 1 354.425 4.317 20 30 FIEDMN Cc1ccc(-c2nnc(NC(=O)c3c(F)cc(C#N)cc3F)s2)c(C)c1 ZINC000127689348 1099484374 /nfs/dbraw/zinc/48/43/74/1099484374.db2.gz BFPVJEQJTLPLII-UHFFFAOYSA-N 0 1 370.384 4.224 20 30 FIEDMN C=CCOc1cc(OC)ccc1-c1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000516604035 1099633721 /nfs/dbraw/zinc/63/37/21/1099633721.db2.gz HMAYJCUGRQHUGL-UHFFFAOYSA-N 0 1 362.389 4.162 20 30 FIEDMN Cc1ccc(C#N)c(NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000162185359 1099653779 /nfs/dbraw/zinc/65/37/79/1099653779.db2.gz QSVKVDKYEPZMDT-CRAIPNDOSA-N 0 1 358.848 4.159 20 30 FIEDMN COc1ccc([C@H](Cc2ccc(F)cc2)NCc2ccc(C#N)cn2)cc1 ZINC000615092149 1099695460 /nfs/dbraw/zinc/69/54/60/1099695460.db2.gz CEBJXRHOGJLKTL-QFIPXVFZSA-N 0 1 361.420 4.175 20 30 FIEDMN C=CCN(Cc1cccs1)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000506004692 1099739931 /nfs/dbraw/zinc/73/99/31/1099739931.db2.gz GBJSVOVDGBFYCA-UHFFFAOYSA-N 0 1 353.447 4.055 20 30 FIEDMN CCCCc1nc2ccc(NC(=O)Cc3c(F)cccc3C#N)cc2[nH]1 ZINC000508707107 1099877445 /nfs/dbraw/zinc/87/74/45/1099877445.db2.gz QEBQQLUFNYEROT-UHFFFAOYSA-N 0 1 350.397 4.097 20 30 FIEDMN C=CCOc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2C)cc1OC ZINC000506056677 1099958666 /nfs/dbraw/zinc/95/86/66/1099958666.db2.gz XHPQQMJZXAFYDG-UHFFFAOYSA-N 0 1 371.477 4.218 20 30 FIEDMN C=CCOc1ccc(CN(C)Cc2cc(OC)c(OC)cc2C)cc1OC ZINC000506056677 1099958669 /nfs/dbraw/zinc/95/86/69/1099958669.db2.gz XHPQQMJZXAFYDG-UHFFFAOYSA-N 0 1 371.477 4.218 20 30 FIEDMN N#Cc1ccccc1-c1ccc(CNC(=O)c2cc(F)cc3nc[nH]c32)cc1 ZINC000536885594 1100412013 /nfs/dbraw/zinc/41/20/13/1100412013.db2.gz MHFDJLIJMJFLAH-UHFFFAOYSA-N 0 1 370.387 4.171 20 30 FIEDMN COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3cccc(C#N)c3)ccc2c1 ZINC000017307344 1101034768 /nfs/dbraw/zinc/03/47/68/1101034768.db2.gz DMMAJQSTQZZKKL-MRXNPFEDSA-N 0 1 373.456 4.179 20 30 FIEDMN N#CCCn1cc(CNCc2cc(F)cc(F)c2)c(-c2ccccc2)n1 ZINC000172112980 1101312021 /nfs/dbraw/zinc/31/20/21/1101312021.db2.gz OCNFASOGHRBKBW-UHFFFAOYSA-N 0 1 352.388 4.032 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cc2cccc(F)c2o1 ZINC000475704637 1101369069 /nfs/dbraw/zinc/36/90/69/1101369069.db2.gz HWIQDGAKQZXKAX-OLZOCXBDSA-N 0 1 351.381 4.121 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000537050070 1101426755 /nfs/dbraw/zinc/42/67/55/1101426755.db2.gz BFOHDSLVNPHRBS-OAHLLOKOSA-N 0 1 354.450 4.213 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c(Cl)c1 ZINC000439455506 1101460051 /nfs/dbraw/zinc/46/00/51/1101460051.db2.gz UXGLBBLXLNMLPS-SFHVURJKSA-N 0 1 363.852 4.334 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000439455506 1101460057 /nfs/dbraw/zinc/46/00/57/1101460057.db2.gz UXGLBBLXLNMLPS-SFHVURJKSA-N 0 1 363.852 4.334 20 30 FIEDMN N#Cc1ccc(Oc2cccc(NS(=O)(=O)c3ccsc3)c2)cc1 ZINC000506601110 1101511161 /nfs/dbraw/zinc/51/11/61/1101511161.db2.gz JDXYEECFKNXHFD-UHFFFAOYSA-N 0 1 356.428 4.213 20 30 FIEDMN Cc1sc(NC(=O)CN2CC[C@H](Cc3ccccc3)[C@@H]2C)c(C#N)c1C ZINC000426430093 1101565196 /nfs/dbraw/zinc/56/51/96/1101565196.db2.gz NDURPHJQLMOTFM-MAUKXSAKSA-N 0 1 367.518 4.128 20 30 FIEDMN C[C@@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(C#N)c(F)c1 ZINC000537407917 1101754458 /nfs/dbraw/zinc/75/44/58/1101754458.db2.gz NRESFLBRHWRRFG-FZKQIMNGSA-N 0 1 371.843 4.197 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000127519368 1101821496 /nfs/dbraw/zinc/82/14/96/1101821496.db2.gz LQVVXDANLLJIOW-OLZOCXBDSA-N 0 1 361.367 4.255 20 30 FIEDMN N#CC(C(=O)C=Cc1cc(C(F)(F)F)ccc1Cl)c1ccncn1 ZINC000760353483 1101935428 /nfs/dbraw/zinc/93/54/28/1101935428.db2.gz PYKICWSWXRCMJI-VCUZLRKMSA-N 0 1 351.715 4.038 20 30 FIEDMN CC(C)(C)c1cnc(CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)o1 ZINC000760416327 1101965048 /nfs/dbraw/zinc/96/50/48/1101965048.db2.gz HHAIWVNPVREULB-UHFFFAOYSA-N 0 1 372.425 4.031 20 30 FIEDMN C=CCOCc1ncn2c1CN([C@H](C)Cc1ccc(Cl)cc1)CCC2 ZINC001168183259 1102088804 /nfs/dbraw/zinc/08/88/04/1102088804.db2.gz PFIUHJGNPRBUMZ-MRXNPFEDSA-N 0 1 359.901 4.076 20 30 FIEDMN C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(C)c(F)c(F)c1)[C@H]2CC ZINC001143600343 1102197827 /nfs/dbraw/zinc/19/78/27/1102197827.db2.gz TXPKXCUHEGUOPY-RXVVDRJESA-N 0 1 362.464 4.195 20 30 FIEDMN N#Cc1ccc(NC(=O)CCN(Cc2ccccc2F)C2CC2)cc1Cl ZINC000105419192 1102204848 /nfs/dbraw/zinc/20/48/48/1102204848.db2.gz SPYQYGQJJRDRKE-UHFFFAOYSA-N 0 1 371.843 4.344 20 30 FIEDMN COc1cc(F)c(C(C)=NNc2cccc(C(F)(F)F)n2)cc1OC ZINC000760260203 1102351593 /nfs/dbraw/zinc/35/15/93/1102351593.db2.gz LNCJOERFKXUNBH-UHFFFAOYSA-N 0 1 357.307 4.093 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1csc(Cc2ccccc2)n1 ZINC000122091810 1102516657 /nfs/dbraw/zinc/51/66/57/1102516657.db2.gz GFCBQINMBLLHLI-OAHLLOKOSA-N 0 1 372.453 4.111 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1csc(Cc2ccccc2)n1 ZINC000122091810 1102516667 /nfs/dbraw/zinc/51/66/67/1102516667.db2.gz GFCBQINMBLLHLI-OAHLLOKOSA-N 0 1 372.453 4.111 20 30 FIEDMN CC(C)(CC#N)CNC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459226753 1102636448 /nfs/dbraw/zinc/63/64/48/1102636448.db2.gz ASAPDYWZFZOWBC-INIZCTEOSA-N 0 1 373.888 4.393 20 30 FIEDMN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1c1ccccc1Cl ZINC000053278442 1102653793 /nfs/dbraw/zinc/65/37/93/1102653793.db2.gz IHAWSXZZZVLOES-MRXNPFEDSA-N 0 1 359.882 4.439 20 30 FIEDMN CCn1cc(CN2CCC(C#N)(c3ccccn3)CC2)c(-c2ccccc2)n1 ZINC000894665346 1102684109 /nfs/dbraw/zinc/68/41/09/1102684109.db2.gz MPYLQEQOBGNRED-UHFFFAOYSA-N 0 1 371.488 4.022 20 30 FIEDMN C[C@@H]1C[C@H]1c1ccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)o1 ZINC000519568389 1102729608 /nfs/dbraw/zinc/72/96/08/1102729608.db2.gz RBCKEMUFCUDRKB-RDTXWAMCSA-N 0 1 354.425 4.457 20 30 FIEDMN C[C@](O)(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000550978141 1102741315 /nfs/dbraw/zinc/74/13/15/1102741315.db2.gz OWUZBRZMLKNMQA-JTQLQIEISA-N 0 1 369.227 4.127 20 30 FIEDMN COCCN(Cc1ccc(C#N)cc1)Cc1ccccc1Oc1cccnc1 ZINC000130173245 1102832697 /nfs/dbraw/zinc/83/26/97/1102832697.db2.gz MDUIATLFBBEOHG-UHFFFAOYSA-N 0 1 373.456 4.394 20 30 FIEDMN CC[C@](C)(C#N)C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000506859572 1102887374 /nfs/dbraw/zinc/88/73/74/1102887374.db2.gz FPGCKCIDIDATFO-HXUWFJFHSA-N 0 1 350.397 4.171 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000551115572 1102920358 /nfs/dbraw/zinc/92/03/58/1102920358.db2.gz PGTWQSYWVCEYHU-FQEVSTJZSA-N 0 1 365.477 4.038 20 30 FIEDMN C=CCN(CCC(=O)Nc1ccc(OC)cc1)Cc1ccc(Cl)s1 ZINC000551177428 1102949985 /nfs/dbraw/zinc/94/99/85/1102949985.db2.gz ZSKDMIGSNBAHQB-UHFFFAOYSA-N 0 1 364.898 4.427 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN(Cc2ccccc2)C(C)C)c1 ZINC000105168581 1103120587 /nfs/dbraw/zinc/12/05/87/1103120587.db2.gz QJYOKAASKLJOQH-UHFFFAOYSA-N 0 1 363.505 4.461 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C)cc2C)no1 ZINC001211975917 1103137780 /nfs/dbraw/zinc/13/77/80/1103137780.db2.gz UILZFXXZCOXVNF-HKUYNNGSSA-N 0 1 357.498 4.432 20 30 FIEDMN C=CCc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(OC)c1O ZINC000507166091 1103165469 /nfs/dbraw/zinc/16/54/69/1103165469.db2.gz CFQANRDRKHGAHZ-UHFFFAOYSA-N 0 1 368.433 4.202 20 30 FIEDMN C=CCc1cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(OC)c1O ZINC000507166091 1103165477 /nfs/dbraw/zinc/16/54/77/1103165477.db2.gz CFQANRDRKHGAHZ-UHFFFAOYSA-N 0 1 368.433 4.202 20 30 FIEDMN N#Cc1cccc(C2(NCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000551411185 1103190120 /nfs/dbraw/zinc/19/01/20/1103190120.db2.gz BUJLYYKZTMRRGV-UHFFFAOYSA-N 0 1 360.244 4.082 20 30 FIEDMN C=CCC[C@H](C(=O)NCc1ccc(CN(C)C)c(F)c1)c1ccccc1 ZINC000427525313 1103639276 /nfs/dbraw/zinc/63/92/76/1103639276.db2.gz QCMTXZLLYMASFZ-FQEVSTJZSA-N 0 1 354.469 4.254 20 30 FIEDMN Cc1ccc(C=Cc2n[nH]c(SCCCOc3cccc(C#N)c3)n2)o1 ZINC000477581057 1103686202 /nfs/dbraw/zinc/68/62/02/1103686202.db2.gz RYCQRYBCXLTDJU-HJWRWDBZSA-N 0 1 366.446 4.309 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H]2C2CCC2)c1C#N ZINC000477640932 1103751250 /nfs/dbraw/zinc/75/12/50/1103751250.db2.gz HNLUGRHYGMTIRX-HXUWFJFHSA-N 0 1 368.525 4.295 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)n[nH]2)cc1 ZINC000519882911 1103920866 /nfs/dbraw/zinc/92/08/66/1103920866.db2.gz KJNRLLOQRAKABI-UHFFFAOYSA-N 0 1 358.445 4.308 20 30 FIEDMN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000328636361 1104522773 /nfs/dbraw/zinc/52/27/73/1104522773.db2.gz AHIJFWOHIFQQMF-LXZJYRNTSA-N 0 1 372.557 4.323 20 30 FIEDMN Cc1ccc2c(c1)[C@H](NCC(=O)N[C@@H]1CCOc3ccccc31)CCCO2 ZINC000328664727 1104528833 /nfs/dbraw/zinc/52/88/33/1104528833.db2.gz YTJNRHYELDYRPE-RTBURBONSA-N 0 1 366.461 4.279 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCC[C@@H]3c3ccccc3)C2)n[nH]1 ZINC000328744684 1104548747 /nfs/dbraw/zinc/54/87/47/1104548747.db2.gz OYYFNGQFBFKIHA-GUDVDZBRSA-N 0 1 352.482 4.148 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCC[C@@H]3c3ccccc3)C2)[nH]n1 ZINC000328744684 1104548751 /nfs/dbraw/zinc/54/87/51/1104548751.db2.gz OYYFNGQFBFKIHA-GUDVDZBRSA-N 0 1 352.482 4.148 20 30 FIEDMN N#CCCCOc1cccc(NC(=O)c2c[nH]nc2-c2ccsc2)c1 ZINC000188499301 1104659273 /nfs/dbraw/zinc/65/92/73/1104659273.db2.gz RGRANMADUQFXQM-UHFFFAOYSA-N 0 1 352.419 4.073 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC[C@H](c3ccncc3)C2)c1 ZINC000451006265 1106886958 /nfs/dbraw/zinc/88/69/58/1106886958.db2.gz RCRAPDWOELXTBX-INIZCTEOSA-N 0 1 356.267 4.095 20 30 FIEDMN CC(C)(C)c1nc2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2[nH]1 ZINC000530286693 1106937178 /nfs/dbraw/zinc/93/71/78/1106937178.db2.gz FIZLDWCDJOLBHZ-UHFFFAOYSA-N 0 1 358.445 4.402 20 30 FIEDMN C=CCC[C@H](O)CN(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000451381960 1107058669 /nfs/dbraw/zinc/05/86/69/1107058669.db2.gz GZMIEDJSEOWXAG-IBGZPJMESA-N 0 1 364.411 4.430 20 30 FIEDMN N#CC1CCC(CN2CCc3c(F)cc(Br)cc3C2)CC1 ZINC001168134795 1107456882 /nfs/dbraw/zinc/45/68/82/1107456882.db2.gz QURHQIORNWLGQO-UHFFFAOYSA-N 0 1 351.263 4.276 20 30 FIEDMN C[C@H](Cc1ccc(Cl)cc1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000609915489 1107625933 /nfs/dbraw/zinc/62/59/33/1107625933.db2.gz ASEPOPBUJZMRMF-QGZVFWFLSA-N 0 1 369.896 4.150 20 30 FIEDMN N#Cc1ccc(CNc2nccn2Cc2ccc(Br)cc2)cc1 ZINC000508490473 1107633011 /nfs/dbraw/zinc/63/30/11/1107633011.db2.gz QHFKMZTVHJTZSE-UHFFFAOYSA-N 0 1 367.250 4.178 20 30 FIEDMN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000609984736 1107849307 /nfs/dbraw/zinc/84/93/07/1107849307.db2.gz ZYJNLIDQEUSWFP-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN CC(C)(C)c1nc(CN2CCN(CCCCC(C)(C)C#N)CC2)cs1 ZINC000444590775 1108002107 /nfs/dbraw/zinc/00/21/07/1108002107.db2.gz CKQLRFYVIDPIGZ-UHFFFAOYSA-N 0 1 362.587 4.278 20 30 FIEDMN Cc1nc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2[nH]1 ZINC000531676089 1108064854 /nfs/dbraw/zinc/06/48/54/1108064854.db2.gz WCPLNBZSQCRHEB-UHFFFAOYSA-N 0 1 369.384 4.183 20 30 FIEDMN N#CC(CCN[C@@H](CO)c1ccsc1)(c1ccccc1)c1ccccc1 ZINC000444666815 1108071455 /nfs/dbraw/zinc/07/14/55/1108071455.db2.gz BGJPUROAFBLFDE-NRFANRHFSA-N 0 1 362.498 4.271 20 30 FIEDMN C=CC[C@@H]1N(CC(=O)Nc2ccccc2OC(F)F)CCCC1(C)C ZINC000444776095 1108170600 /nfs/dbraw/zinc/17/06/00/1108170600.db2.gz AYTMLTUREPYXLU-INIZCTEOSA-N 0 1 352.425 4.293 20 30 FIEDMN COc1cc(CNCc2ccc(C)cc2OCC(F)(F)F)ccc1C#N ZINC000440638288 1108392175 /nfs/dbraw/zinc/39/21/75/1108392175.db2.gz PWGJZKRUOZFNDS-UHFFFAOYSA-N 0 1 364.367 4.106 20 30 FIEDMN C[C@@H](N[C@@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1ccccc1C#N ZINC000475698857 1108818700 /nfs/dbraw/zinc/81/87/00/1108818700.db2.gz OPNJUWMSSMEQDS-QWHCGFSZSA-N 0 1 351.381 4.121 20 30 FIEDMN COc1cc(CNC2(c3ccc(Br)cc3)CC2)ccc1C#N ZINC000440828126 1108938423 /nfs/dbraw/zinc/93/84/23/1108938423.db2.gz GSDZBYKCQMCXJR-UHFFFAOYSA-N 0 1 357.251 4.108 20 30 FIEDMN CCCN(C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000525454355 1109390110 /nfs/dbraw/zinc/39/01/10/1109390110.db2.gz XNTBDTNUSHYMDM-GOSISDBHSA-N 0 1 355.869 4.276 20 30 FIEDMN Cc1oc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000448028638 1109705586 /nfs/dbraw/zinc/70/55/86/1109705586.db2.gz OWQDSJMVANCMGK-AZUAARDMSA-N 0 1 365.477 4.283 20 30 FIEDMN Cc1oc(NC(=O)CN(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000448028638 1109705591 /nfs/dbraw/zinc/70/55/91/1109705591.db2.gz OWQDSJMVANCMGK-AZUAARDMSA-N 0 1 365.477 4.283 20 30 FIEDMN CCOc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(F)cc1OC ZINC000527719526 1109816104 /nfs/dbraw/zinc/81/61/04/1109816104.db2.gz GZVLESYZSIKHES-LJQANCHMSA-N 0 1 354.425 4.272 20 30 FIEDMN C#CC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000783634737 1109907149 /nfs/dbraw/zinc/90/71/49/1109907149.db2.gz CHYJPJKWINAURY-SNVBAGLBSA-N 0 1 363.179 4.077 20 30 FIEDMN C=C[C@@H]1OCCC[C@H]1NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000449549089 1110106720 /nfs/dbraw/zinc/10/67/20/1110106720.db2.gz USDIHTINBOZGOB-SJORKVTESA-N 0 1 364.898 4.199 20 30 FIEDMN COc1ccc([C@H](NCc2ccc(C#N)cc2C(F)(F)F)C2CC2)cn1 ZINC000528851108 1110131982 /nfs/dbraw/zinc/13/19/82/1110131982.db2.gz KAVJBLSWAQPQTF-GOSISDBHSA-N 0 1 361.367 4.222 20 30 FIEDMN CCn1cc([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000449670897 1110141864 /nfs/dbraw/zinc/14/18/64/1110141864.db2.gz QNTMVISACRALJN-QGZVFWFLSA-N 0 1 360.461 4.204 20 30 FIEDMN N#CC(C(=O)[C@@H]1C[C@H]1c1ccsc1)c1nc2ccccc2n1C(F)F ZINC000528924189 1110153039 /nfs/dbraw/zinc/15/30/39/1110153039.db2.gz MGYJIGHTTGTTCY-XQQFMLRXSA-N 0 1 357.385 4.473 20 30 FIEDMN CC(C)c1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000053528249 1110163283 /nfs/dbraw/zinc/16/32/83/1110163283.db2.gz BEIVSQZSTKVARV-ZDUSSCGKSA-N 0 1 351.410 4.046 20 30 FIEDMN N#CC(C(=O)C1CCc2ccccc2CC1)c1cc(C(F)(F)F)ccn1 ZINC000529019396 1110178300 /nfs/dbraw/zinc/17/83/00/1110178300.db2.gz HKBMKDJNXFXQLF-QGZVFWFLSA-N 0 1 358.363 4.472 20 30 FIEDMN COc1ccc(OC(F)F)c(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508563 1111173577 /nfs/dbraw/zinc/17/35/77/1111173577.db2.gz SXHDXRIOHWFCKL-LLVKDONJSA-N 0 1 350.340 4.158 20 30 FIEDMN Cc1c2ccccc2oc1[C@H](NCC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000539260746 1111498184 /nfs/dbraw/zinc/49/81/84/1111498184.db2.gz GOMOFUOPFUUZGW-HXUWFJFHSA-N 0 1 367.493 4.371 20 30 FIEDMN Cc1ccnn1-c1ccc(C(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000041502325 1111522391 /nfs/dbraw/zinc/52/23/91/1111522391.db2.gz UXAGURRZCPFVSS-MRXNPFEDSA-N 0 1 358.426 4.281 20 30 FIEDMN N#Cc1ccc(NC(=O)CNC2(c3cccc(C(F)(F)F)c3)CCC2)cc1 ZINC000539358561 1111524882 /nfs/dbraw/zinc/52/48/82/1111524882.db2.gz DAJGIZWZVPQIGX-UHFFFAOYSA-N 0 1 373.378 4.185 20 30 FIEDMN C=CCCOCCCCC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000539388560 1111547690 /nfs/dbraw/zinc/54/76/90/1111547690.db2.gz OQNHQACNLOTMRI-SFHVURJKSA-N 0 1 357.454 4.116 20 30 FIEDMN Cn1ccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000477871073 1111591791 /nfs/dbraw/zinc/59/17/91/1111591791.db2.gz BPHTVUAPJPUKBO-BFKIHDCISA-N 0 1 365.502 4.439 20 30 FIEDMN Cn1ccc(C(=O)C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000477871073 1111591796 /nfs/dbraw/zinc/59/17/96/1111591796.db2.gz BPHTVUAPJPUKBO-BFKIHDCISA-N 0 1 365.502 4.439 20 30 FIEDMN C=CCC[C@H](NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1ccco1 ZINC000552254875 1111646306 /nfs/dbraw/zinc/64/63/06/1111646306.db2.gz YVOWYAQUZQFTDW-LNLFQRSKSA-N 0 1 355.482 4.085 20 30 FIEDMN C=CCC[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccco1 ZINC000552254874 1111646536 /nfs/dbraw/zinc/64/65/36/1111646536.db2.gz YVOWYAQUZQFTDW-LMMKCTJWSA-N 0 1 355.482 4.085 20 30 FIEDMN Cc1nc(-c2cccs2)sc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000041562621 1111668945 /nfs/dbraw/zinc/66/89/45/1111668945.db2.gz KFVGFIGFSJMRJV-GFCCVEGCSA-N 0 1 354.460 4.077 20 30 FIEDMN Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)c1cc(C)nc(C)n1 ZINC000041562621 1111668949 /nfs/dbraw/zinc/66/89/49/1111668949.db2.gz KFVGFIGFSJMRJV-GFCCVEGCSA-N 0 1 354.460 4.077 20 30 FIEDMN Cc1c(Br)scc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000478552322 1111815945 /nfs/dbraw/zinc/81/59/45/1111815945.db2.gz MUHBEKLGCCSXEP-JTQLQIEISA-N 0 1 374.263 4.494 20 30 FIEDMN N#Cc1ccc(CSc2nc(Cc3ccccc3)n[nH]2)c(OC(F)F)c1 ZINC000478734485 1111864212 /nfs/dbraw/zinc/86/42/12/1111864212.db2.gz DWCJJRAYLJMPCN-UHFFFAOYSA-N 0 1 372.400 4.161 20 30 FIEDMN C[C@@H](CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000479240503 1111972284 /nfs/dbraw/zinc/97/22/84/1111972284.db2.gz GXSIOLDWUTXTBQ-IBGZPJMESA-N 0 1 367.537 4.267 20 30 FIEDMN CCSc1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479495900 1112046270 /nfs/dbraw/zinc/04/62/70/1112046270.db2.gz KZHOLGFDXFAZNW-UHFFFAOYSA-N 0 1 352.868 4.124 20 30 FIEDMN CC(C)(C)Oc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000479508444 1112051129 /nfs/dbraw/zinc/05/11/29/1112051129.db2.gz FUBLLVSLNIODKC-UHFFFAOYSA-N 0 1 364.854 4.190 20 30 FIEDMN CC[C@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(C#N)cc1 ZINC000479523859 1112051944 /nfs/dbraw/zinc/05/19/44/1112051944.db2.gz AINZBNNDEKTKOW-IRXDYDNUSA-N 0 1 364.367 4.231 20 30 FIEDMN N#CC(C(=O)c1ccc2oc(=O)[nH]c2c1)c1nc2cc(Cl)ccc2s1 ZINC000553999061 1112157026 /nfs/dbraw/zinc/15/70/26/1112157026.db2.gz BKTLYYFZEMUOFR-SNVBAGLBSA-N 0 1 369.789 4.287 20 30 FIEDMN N#CC(=C([O-])c1ccc(C[NH+]2CCCC2)cc1)c1nccc2ccccc21 ZINC000554017196 1112169544 /nfs/dbraw/zinc/16/95/44/1112169544.db2.gz UANGNGDOIGGDOR-NRFANRHFSA-N 0 1 355.441 4.321 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)N(C)CCCN(C)Cc2ccco2)c1 ZINC000554188400 1112238214 /nfs/dbraw/zinc/23/82/14/1112238214.db2.gz OWKUDEOORGKZJR-UHFFFAOYSA-N 0 1 371.481 4.220 20 30 FIEDMN COc1cc2c(cc1F)nccc2NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000480104476 1112280813 /nfs/dbraw/zinc/28/08/13/1112280813.db2.gz JYQLQBMRQSLCOG-UHFFFAOYSA-N 0 1 373.391 4.256 20 30 FIEDMN N#CC1(c2ccccn2)CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000554558740 1112400081 /nfs/dbraw/zinc/40/00/81/1112400081.db2.gz RTTFJYRORUYRDD-UHFFFAOYSA-N 0 1 361.489 4.460 20 30 FIEDMN C=CCOc1cccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000554878662 1112542263 /nfs/dbraw/zinc/54/22/63/1112542263.db2.gz YMSILXWGYKWSBE-UHFFFAOYSA-N 0 1 366.436 4.306 20 30 FIEDMN CC(C)[C@H](NCc1ccc(Cl)cc1C#N)c1ccc2c(c1)OCCO2 ZINC000480888802 1112649377 /nfs/dbraw/zinc/64/93/77/1112649377.db2.gz ZQUWBGFBMHOQJR-FQEVSTJZSA-N 0 1 356.853 4.470 20 30 FIEDMN Cc1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc1C ZINC000128760949 1113401639 /nfs/dbraw/zinc/40/16/39/1113401639.db2.gz YETGNJGOOOMZGY-CYBMUJFWSA-N 0 1 351.189 4.164 20 30 FIEDMN Cc1nc(C(F)(F)F)ccc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000483206863 1113465729 /nfs/dbraw/zinc/46/57/29/1113465729.db2.gz XWKTYJHKSDSDEG-HNNXBMFYSA-N 0 1 355.319 4.447 20 30 FIEDMN Cc1cc(CN(C)Cc2cc(C#N)n(C)c2)cc(C)c1OCC(F)(F)F ZINC000483277920 1113479058 /nfs/dbraw/zinc/47/90/58/1113479058.db2.gz GSNGVZJWXZTSBS-UHFFFAOYSA-N 0 1 365.399 4.087 20 30 FIEDMN C[C@@H](N=c1cc(C#N)c2ccccc2[nH]1)c1nc2ccccc2n1C(F)F ZINC000486438442 1113568028 /nfs/dbraw/zinc/56/80/28/1113568028.db2.gz QZBKLURGJQWEKZ-GFCCVEGCSA-N 0 1 363.371 4.446 20 30 FIEDMN Cc1cc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)ccc1C#N ZINC000486683351 1113623127 /nfs/dbraw/zinc/62/31/27/1113623127.db2.gz PKFSMPXTUIBFQK-UHFFFAOYSA-N 0 1 354.400 4.240 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(OC)cc1 ZINC000488491466 1113942383 /nfs/dbraw/zinc/94/23/83/1113942383.db2.gz IYJZOLVQVJBVAH-QGZVFWFLSA-N 0 1 372.534 4.182 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)Cc1ccc(OC)cc1 ZINC000488491466 1113942384 /nfs/dbraw/zinc/94/23/84/1113942384.db2.gz IYJZOLVQVJBVAH-QGZVFWFLSA-N 0 1 372.534 4.182 20 30 FIEDMN Fc1cc2nc(NN=Cc3cc(Br)cs3)[nH]c2cc1F ZINC000912825416 1114215687 /nfs/dbraw/zinc/21/56/87/1114215687.db2.gz YQEMMMJATAAILN-UHFFFAOYSA-N 0 1 357.183 4.111 20 30 FIEDMN Fc1cc2[nH]c([N-]N=Cc3cc(Br)cs3)[nH+]c2cc1F ZINC000912825416 1114215690 /nfs/dbraw/zinc/21/56/90/1114215690.db2.gz YQEMMMJATAAILN-UHFFFAOYSA-N 0 1 357.183 4.111 20 30 FIEDMN Fc1cc2nc(N=NCc3ccc(Br)cc3)[nH]c2cc1F ZINC000912817745 1114217556 /nfs/dbraw/zinc/21/75/56/1114217556.db2.gz LKMRETGHNUALJR-UHFFFAOYSA-N 0 1 351.154 4.050 20 30 FIEDMN O=[N+]([O-])c1cc(C=NNc2cnccn2)ccc1Oc1ccccc1Cl ZINC000912962087 1114263477 /nfs/dbraw/zinc/26/34/77/1114263477.db2.gz RYPDWWYCVHQDQW-UHFFFAOYSA-N 0 1 369.768 4.277 20 30 FIEDMN CC(C)Oc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000055152115 1114421531 /nfs/dbraw/zinc/42/15/31/1114421531.db2.gz ZDGHNZHCDMJWFP-JKSUJKDBSA-N 0 1 351.450 4.023 20 30 FIEDMN CCc1nn(-c2ccccc2)c(CC)c1CNCc1cc(C#N)cs1 ZINC000571389835 1114461307 /nfs/dbraw/zinc/46/13/07/1114461307.db2.gz RVTFNOUYKXQTLM-UHFFFAOYSA-N 0 1 350.491 4.220 20 30 FIEDMN CN(c1nc(C(C)(C)C)ccc1C#N)C1CCN(CCC(F)(F)F)CC1 ZINC000590738436 1114970929 /nfs/dbraw/zinc/97/09/29/1114970929.db2.gz HHRASJPSDXXIIY-UHFFFAOYSA-N 0 1 368.447 4.104 20 30 FIEDMN COc1ccccc1-c1nc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cs1 ZINC000057740288 1114990718 /nfs/dbraw/zinc/99/07/18/1114990718.db2.gz CCQPFTSZMHUARZ-ZDUSSCGKSA-N 0 1 374.425 4.185 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)o1 ZINC000591888377 1115164399 /nfs/dbraw/zinc/16/43/99/1115164399.db2.gz YDCZGDIDFUNIEZ-CYBMUJFWSA-N 0 1 371.506 4.432 20 30 FIEDMN CC(C)N(CC(=O)N(Cc1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000058397164 1115214831 /nfs/dbraw/zinc/21/48/31/1115214831.db2.gz PRMRFCCKCHARKG-UHFFFAOYSA-N 0 1 363.505 4.206 20 30 FIEDMN N#CC[C@]1(O)CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)C1 ZINC000592522419 1115240380 /nfs/dbraw/zinc/24/03/80/1115240380.db2.gz BMOKLUONYGGLDX-KRWDZBQOSA-N 0 1 366.408 4.284 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccccc2-n2cccn2)s1 ZINC000574110582 1115291047 /nfs/dbraw/zinc/29/10/47/1115291047.db2.gz SVBVLXAWUSEMFG-CQSZACIVSA-N 0 1 350.447 4.116 20 30 FIEDMN N#CC1(c2ccc(CNCc3ccccc3OCC(F)(F)F)cc2)CC1 ZINC000594928637 1115491428 /nfs/dbraw/zinc/49/14/28/1115491428.db2.gz XWRIWLILJASYJZ-UHFFFAOYSA-N 0 1 360.379 4.473 20 30 FIEDMN N#CC1(c2ccc(CNC[C@H](OC3CCCC3)C(F)(F)F)cc2)CC1 ZINC000594965756 1115503328 /nfs/dbraw/zinc/50/33/28/1115503328.db2.gz DJINBDWWQRSURW-KRWDZBQOSA-N 0 1 352.400 4.221 20 30 FIEDMN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000168559846 1115518127 /nfs/dbraw/zinc/51/81/27/1115518127.db2.gz OUXDPASTWHVEAG-GJZGRUSLSA-N 0 1 357.425 4.267 20 30 FIEDMN COc1ncc(Br)cc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000595503885 1115539509 /nfs/dbraw/zinc/53/95/09/1115539509.db2.gz XVLUAOVDAHSCPI-KRWDZBQOSA-N 0 1 374.282 4.377 20 30 FIEDMN CC(C)(NCc1cccc(C(=O)N2CCCCC2)c1)c1cccc(C#N)c1 ZINC000595635906 1115551934 /nfs/dbraw/zinc/55/19/34/1115551934.db2.gz PBEBZHFWIDSYGB-UHFFFAOYSA-N 0 1 361.489 4.209 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000595845340 1115563966 /nfs/dbraw/zinc/56/39/66/1115563966.db2.gz LQIISQDLAKLCMC-HDICACEKSA-N 0 1 354.475 4.280 20 30 FIEDMN CC(C)c1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)c(O)c(=O)c1 ZINC000596201956 1115577293 /nfs/dbraw/zinc/57/72/93/1115577293.db2.gz MYKZNCZBOSJRGD-UHFFFAOYSA-N 0 1 360.457 4.037 20 30 FIEDMN CCc1nc(C#N)cc(N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000596266319 1115580583 /nfs/dbraw/zinc/58/05/83/1115580583.db2.gz QTTDPVPUYSFKQL-INIZCTEOSA-N 0 1 366.856 4.172 20 30 FIEDMN C[C@H](c1cccc(C#N)c1)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000596605951 1115601471 /nfs/dbraw/zinc/60/14/71/1115601471.db2.gz QZADMJVPAWWPOS-CQSZACIVSA-N 0 1 362.408 4.082 20 30 FIEDMN Cc1c(CN2CCSCC2)cccc1NC(=O)CC1(C#N)CCCCC1 ZINC000597003205 1115632472 /nfs/dbraw/zinc/63/24/72/1115632472.db2.gz NKLVCFVFBPGXFP-UHFFFAOYSA-N 0 1 371.550 4.347 20 30 FIEDMN CCCC[C@@H](CC)CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593354270 1115666314 /nfs/dbraw/zinc/66/63/14/1115666314.db2.gz NZYIYHIKXLTLOF-GOSISDBHSA-N 0 1 355.526 4.245 20 30 FIEDMN C[C@@H]1CCc2sc(NC(=O)c3ocnc3C(F)F)c(C#N)c2[C@H]1C ZINC000602344914 1115698229 /nfs/dbraw/zinc/69/82/29/1115698229.db2.gz XJODDDFHHXGHFG-SFYZADRCSA-N 0 1 351.378 4.483 20 30 FIEDMN C[C@H]1Cc2c(C#N)c(NC(=O)c3ocnc3C(F)F)sc2[C@H](C)C1 ZINC000602342932 1115699732 /nfs/dbraw/zinc/69/97/32/1115699732.db2.gz NIUKIMYZVVXSLB-HTQZYQBOSA-N 0 1 351.378 4.483 20 30 FIEDMN Fc1ccc(Br)c(CN=Nc2ccc(Br)cn2)c1 ZINC000761259998 1115706724 /nfs/dbraw/zinc/70/67/24/1115706724.db2.gz ZGJROMWVVGDVRD-UHFFFAOYSA-N 0 1 373.023 4.192 20 30 FIEDMN CCCCCN(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C(C)C ZINC000593512365 1115708862 /nfs/dbraw/zinc/70/88/62/1115708862.db2.gz UTDHBBVQUFMGLP-UHFFFAOYSA-N 0 1 370.541 4.133 20 30 FIEDMN CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000598604100 1115738595 /nfs/dbraw/zinc/73/85/95/1115738595.db2.gz IXVPROBOAZGSHP-CVEARBPZSA-N 0 1 369.278 4.026 20 30 FIEDMN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000598604100 1115738602 /nfs/dbraw/zinc/73/86/02/1115738602.db2.gz IXVPROBOAZGSHP-CVEARBPZSA-N 0 1 369.278 4.026 20 30 FIEDMN CC(C)(C#N)C[C@@H](O)CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000598618910 1115740271 /nfs/dbraw/zinc/74/02/71/1115740271.db2.gz WZUXRCSOWTVKJA-GFCCVEGCSA-N 0 1 360.807 4.238 20 30 FIEDMN CC(C)(C#N)C[C@H](O)CN[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000598715429 1115747664 /nfs/dbraw/zinc/74/76/64/1115747664.db2.gz QHVMCAHBCVNGNJ-QFBILLFUSA-N 0 1 360.860 4.459 20 30 FIEDMN COc1cc(CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)ccc1C#N ZINC000599017248 1115779701 /nfs/dbraw/zinc/77/97/01/1115779701.db2.gz ZVDBTPWVMLBZLR-QGZVFWFLSA-N 0 1 365.260 4.087 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000129968160 1115803677 /nfs/dbraw/zinc/80/36/77/1115803677.db2.gz JKIOFZCTKPJABB-RBUKOAKNSA-N 0 1 374.488 4.161 20 30 FIEDMN Cn1ccnc1[C@@H](Cc1ccccc1)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000593723610 1115803785 /nfs/dbraw/zinc/80/37/85/1115803785.db2.gz ZXOCEYJARDWHOI-FGZHOGPDSA-N 0 1 356.473 4.243 20 30 FIEDMN Cn1ccnc1[C@@H](Cc1ccccc1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000593723609 1115803803 /nfs/dbraw/zinc/80/38/03/1115803803.db2.gz ZXOCEYJARDWHOI-FCHUYYIVSA-N 0 1 356.473 4.243 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)CC(C)C)cc1Cl ZINC000171037024 1115822900 /nfs/dbraw/zinc/82/29/00/1115822900.db2.gz PYQQHMPMYOTWLD-OCCSQVGLSA-N 0 1 350.846 4.068 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000604572945 1115870210 /nfs/dbraw/zinc/87/02/10/1115870210.db2.gz CJHSKJLXFBTONX-INIZCTEOSA-N 0 1 353.466 4.216 20 30 FIEDMN N#CCOc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000171769220 1115874938 /nfs/dbraw/zinc/87/49/38/1115874938.db2.gz KNGFGANGFSXQSQ-UHFFFAOYSA-N 0 1 363.373 4.047 20 30 FIEDMN C=CCCCCC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000606902649 1115981616 /nfs/dbraw/zinc/98/16/16/1115981616.db2.gz GHGVEJBAKSSJTQ-SFHVURJKSA-N 0 1 369.465 4.229 20 30 FIEDMN C=CCCCCCN(C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000606902649 1115981618 /nfs/dbraw/zinc/98/16/18/1115981618.db2.gz GHGVEJBAKSSJTQ-SFHVURJKSA-N 0 1 369.465 4.229 20 30 FIEDMN CCc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000063497454 1116075283 /nfs/dbraw/zinc/07/52/83/1116075283.db2.gz ZGJUXSDMUGBZSK-UHFFFAOYSA-N 0 1 371.238 4.433 20 30 FIEDMN C=C[C@H](CC(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000457094105 1116245414 /nfs/dbraw/zinc/24/54/14/1116245414.db2.gz ZIMNMTCWDCBDJA-MRXNPFEDSA-N 0 1 368.443 4.222 20 30 FIEDMN Cc1[nH]c(C#N)cc1C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457340514 1116265901 /nfs/dbraw/zinc/26/59/01/1116265901.db2.gz GECBUFZFWFVNBS-QGZVFWFLSA-N 0 1 367.840 4.092 20 30 FIEDMN N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000457356440 1116269554 /nfs/dbraw/zinc/26/95/54/1116269554.db2.gz IBSCBUYGZHHBOO-SFHVURJKSA-N 0 1 364.836 4.455 20 30 FIEDMN C[C@H](NCc1ccc(N2CCCCCC2)nc1)c1ccc(C#N)c(F)c1 ZINC000539608375 1116351677 /nfs/dbraw/zinc/35/16/77/1116351677.db2.gz HWHOKDNSRSHOJC-INIZCTEOSA-N 0 1 352.457 4.324 20 30 FIEDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1ccc(C#Cc2ccccc2)cc1 ZINC000539998882 1117804476 /nfs/dbraw/zinc/80/44/76/1117804476.db2.gz PRXOCIQYIZGPMJ-UHFFFAOYSA-N 0 1 364.408 4.124 20 30 FIEDMN Cc1cc(-c2csc(NC(=O)c3ccc(C#N)c(O)c3)n2)ccc1F ZINC000443281614 1117869530 /nfs/dbraw/zinc/86/95/30/1117869530.db2.gz GQWKCEQGMCZEPX-UHFFFAOYSA-N 0 1 353.378 4.087 20 30 FIEDMN COc1cc([C@@H](C)NCC#Cc2ccc(Cl)cc2)cc(OC)c1OC ZINC000540326671 1117993073 /nfs/dbraw/zinc/99/30/73/1117993073.db2.gz JZQQKVRDIJFNTN-CQSZACIVSA-N 0 1 359.853 4.068 20 30 FIEDMN C=CCCC[C@@H](C)NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000540621747 1118145822 /nfs/dbraw/zinc/14/58/22/1118145822.db2.gz MFINNKXFYWNZKI-OAHLLOKOSA-N 0 1 357.523 4.262 20 30 FIEDMN N#CCc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000541283273 1118462867 /nfs/dbraw/zinc/46/28/67/1118462867.db2.gz YWPYBRODDNWPBT-UHFFFAOYSA-N 0 1 359.395 4.094 20 30 FIEDMN CC(C)(C#N)c1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464411988 1118547262 /nfs/dbraw/zinc/54/72/62/1118547262.db2.gz PUCQAERBURQSAT-HNNXBMFYSA-N 0 1 357.335 4.392 20 30 FIEDMN O=C1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)c2ccccc2N1 ZINC000541565480 1118556616 /nfs/dbraw/zinc/55/66/16/1118556616.db2.gz BSSFLQMEITZSNM-KRWDZBQOSA-N 0 1 358.363 4.120 20 30 FIEDMN CC[C@H](C)Oc1cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)ccn1 ZINC000464463652 1118570930 /nfs/dbraw/zinc/57/09/30/1118570930.db2.gz BTHXNABMDJCOOL-FZMZJTMJSA-N 0 1 363.339 4.163 20 30 FIEDMN CCC(CC)n1nc(C)cc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464463790 1118570949 /nfs/dbraw/zinc/57/09/49/1118570949.db2.gz GESGCUYKESVLJP-AWEZNQCLSA-N 0 1 364.371 4.457 20 30 FIEDMN OC[C@H](NCC#Cc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000541953164 1118720400 /nfs/dbraw/zinc/72/04/00/1118720400.db2.gz GBWBCJHGEVESKT-KRWDZBQOSA-N 0 1 353.771 4.034 20 30 FIEDMN C[C@@H]1c2ccccc2CN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000542132942 1118808988 /nfs/dbraw/zinc/80/89/88/1118808988.db2.gz LGIQXLUNXGLUQT-CQSZACIVSA-N 0 1 365.502 4.404 20 30 FIEDMN CCOc1cc(CN(CC)[C@H](C)c2ccc(C#N)cc2)ccc1[N+](=O)[O-] ZINC000492419175 1119086531 /nfs/dbraw/zinc/08/65/31/1119086531.db2.gz UWDRJTBYYWYKSJ-OAHLLOKOSA-N 0 1 353.422 4.448 20 30 FIEDMN Cc1c2cc(Cl)ccc2oc1S(=O)(=O)Nc1ccc(C#N)cc1F ZINC000493336612 1119443151 /nfs/dbraw/zinc/44/31/51/1119443151.db2.gz NQDYHSJYTIUNNB-UHFFFAOYSA-N 0 1 364.785 4.206 20 30 FIEDMN N#CCSCCCN1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185634436 1119677693 /nfs/dbraw/zinc/67/76/93/1119677693.db2.gz YJAWRTWPQTYWIO-OAHLLOKOSA-N 0 1 357.292 4.372 20 30 FIEDMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000494274557 1119811350 /nfs/dbraw/zinc/81/13/50/1119811350.db2.gz QYFHQOPVTSCXNU-QGOAFFKASA-N 0 1 356.473 4.494 20 30 FIEDMN Cc1ccc(C(=O)C=CC(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC001168469295 1120216955 /nfs/dbraw/zinc/21/69/55/1120216955.db2.gz KXYPNJKABFOUFR-WTNCMQEWSA-N 0 1 367.836 4.141 20 30 FIEDMN N#CC(C(=O)c1ccc(OCc2ccccc2)nc1)c1nc2ccccc2o1 ZINC000194681381 1120292593 /nfs/dbraw/zinc/29/25/93/1120292593.db2.gz ISLSDPKJAHWUSY-QGZVFWFLSA-N 0 1 369.380 4.292 20 30 FIEDMN CN(C)[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc(F)c1 ZINC000193056241 1120331770 /nfs/dbraw/zinc/33/17/70/1120331770.db2.gz XUSFJDFTBHMRAJ-IBGZPJMESA-N 0 1 368.456 4.051 20 30 FIEDMN C=CCC[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1 ZINC000494907628 1120371737 /nfs/dbraw/zinc/37/17/37/1120371737.db2.gz ZXOFRBOCKKXNMU-RTWAWAEBSA-N 0 1 354.469 4.295 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN[C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000495078172 1120462548 /nfs/dbraw/zinc/46/25/48/1120462548.db2.gz IJCGLUJAZKHUKP-QGZVFWFLSA-N 0 1 362.399 4.086 20 30 FIEDMN CC1(C)c2ccc(C(=O)C(C#N)c3nc4ccccc4s3)cc2NC1=O ZINC000495289915 1120631110 /nfs/dbraw/zinc/63/11/10/1120631110.db2.gz BTUUTQGLDIMCMD-GFCCVEGCSA-N 0 1 361.426 4.016 20 30 FIEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000762025461 1120660894 /nfs/dbraw/zinc/66/08/94/1120660894.db2.gz OARGCPKGSBQQND-JSGCOSHPSA-N 0 1 364.873 4.377 20 30 FIEDMN CC(=NNc1ccc2ccccc2n1)c1cc(Br)ncc1F ZINC000762408186 1120902680 /nfs/dbraw/zinc/90/26/80/1120902680.db2.gz AZADKTPGSYGJGM-UHFFFAOYSA-N 0 1 359.202 4.368 20 30 FIEDMN CCCCCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)ccc1OC ZINC000193610976 1120981726 /nfs/dbraw/zinc/98/17/26/1120981726.db2.gz GLLWTBGCCXPTMK-SDNWHVSQSA-N 0 1 367.449 4.088 20 30 FIEDMN CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193612216 1120982229 /nfs/dbraw/zinc/98/22/29/1120982229.db2.gz DLPDZBXSGUMOLV-QINSGFPZSA-N 0 1 357.413 4.090 20 30 FIEDMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000026547626 1121098198 /nfs/dbraw/zinc/09/81/98/1121098198.db2.gz QECJGVWNNFJKPS-UHFFFAOYSA-N 0 1 365.458 4.145 20 30 FIEDMN C=CCN(C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000763092087 1121113580 /nfs/dbraw/zinc/11/35/80/1121113580.db2.gz PRIDQMYJWSHGQN-CRAIPNDOSA-N 0 1 367.896 4.078 20 30 FIEDMN C[C@H](NC[C@H](O)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000326370984 1121306430 /nfs/dbraw/zinc/30/64/30/1121306430.db2.gz JPPSFFKCCDOWJA-WKEGUHRASA-N 0 1 369.227 4.298 20 30 FIEDMN CC[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1sccc1C#N ZINC000123323402 1121340333 /nfs/dbraw/zinc/34/03/33/1121340333.db2.gz ILQRTLKCFJXQKI-QZTJIDSGSA-N 0 1 353.491 4.216 20 30 FIEDMN Clc1ccccc1CN1CCC(N=Nc2nc3ccccc3[nH]2)CC1 ZINC000915937804 1121355042 /nfs/dbraw/zinc/35/50/42/1121355042.db2.gz VEZOVGLMUKMLTA-UHFFFAOYSA-N 0 1 353.857 4.280 20 30 FIEDMN O=C(/C=C\c1cccc2ccccc12)c1ccc(O)c(CN2CCOCC2)c1 ZINC000916129969 1121419450 /nfs/dbraw/zinc/41/94/50/1121419450.db2.gz DLFYGZLLJHVTCN-NTMALXAHSA-N 0 1 373.452 4.274 20 30 FIEDMN COc1cccc(-c2nc(CN=Nc3ccccc3[N+](=O)[O-])cs2)c1 ZINC000916249339 1121457348 /nfs/dbraw/zinc/45/73/48/1121457348.db2.gz FFJOQUVYXLVZLV-UHFFFAOYSA-N 0 1 354.391 4.173 20 30 FIEDMN N#CCCn1cc(C(=O)CN2CC[C@@H](c3ccccc3)C2)c2ccccc21 ZINC000123384964 1121469292 /nfs/dbraw/zinc/46/92/92/1121469292.db2.gz KVSSYDJZIKKONZ-LJQANCHMSA-N 0 1 357.457 4.227 20 30 FIEDMN Cc1nc2sc3c(c2c(N=NC(C)c2ccc(N)cc2)n1)CCCC3 ZINC000916544314 1121538541 /nfs/dbraw/zinc/53/85/41/1121538541.db2.gz GNHUCHNOGWQOTK-UHFFFAOYSA-N 0 1 351.479 4.297 20 30 FIEDMN C=C[C@@H](CC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1ccccc1 ZINC000125167365 1121751986 /nfs/dbraw/zinc/75/19/86/1121751986.db2.gz VSSXBVAWQKDKRV-ICSRJNTNSA-N 0 1 352.478 4.201 20 30 FIEDMN Cc1nc(-c2cccs2)c(CC(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000916879653 1121907210 /nfs/dbraw/zinc/90/72/10/1121907210.db2.gz FJENKGZMFXICBG-CYBMUJFWSA-N 0 1 368.487 4.006 20 30 FIEDMN Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1 ZINC000916908883 1121931023 /nfs/dbraw/zinc/93/10/23/1121931023.db2.gz OEAZLYFLWDPPFI-MRXNPFEDSA-N 0 1 360.369 4.342 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)CCC2CCCCC2)cc1Cl ZINC000916937208 1121936385 /nfs/dbraw/zinc/93/63/85/1121936385.db2.gz AKRRIMRUCRKTAI-OAHLLOKOSA-N 0 1 362.857 4.356 20 30 FIEDMN N#Cc1ccc(OCC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000917045915 1122014520 /nfs/dbraw/zinc/01/45/20/1122014520.db2.gz CORCQNXCAKNIES-AWEZNQCLSA-N 0 1 367.817 4.077 20 30 FIEDMN CCCCC1CCC(C(=O)C(C#N)C(=O)NCc2ccc(OC)cc2)CC1 ZINC000917037070 1122017412 /nfs/dbraw/zinc/01/74/12/1122017412.db2.gz SWMLCDOAZXHBLP-NLPFYKDJSA-N 0 1 370.493 4.017 20 30 FIEDMN COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(F)c3)n2)cc1 ZINC000066544069 1122071937 /nfs/dbraw/zinc/07/19/37/1122071937.db2.gz YWRFSFVJDQXWSI-MRXNPFEDSA-N 0 1 352.390 4.448 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cccc(F)c3)n2)cc1 ZINC000066544069 1122071944 /nfs/dbraw/zinc/07/19/44/1122071944.db2.gz YWRFSFVJDQXWSI-MRXNPFEDSA-N 0 1 352.390 4.448 20 30 FIEDMN N#C[C@H](C(=O)c1ccc2c(c1)CCCC2=O)c1nc(-c2ccncc2)cs1 ZINC000497367868 1122166394 /nfs/dbraw/zinc/16/63/94/1122166394.db2.gz UTZLQLQYYVWWLU-QGZVFWFLSA-N 0 1 373.437 4.214 20 30 FIEDMN N#CC(C(=O)c1ccc2c(c1)CCCC2=O)c1nc(-c2ccncc2)cs1 ZINC000497367868 1122166399 /nfs/dbraw/zinc/16/63/99/1122166399.db2.gz UTZLQLQYYVWWLU-QGZVFWFLSA-N 0 1 373.437 4.214 20 30 FIEDMN COCCOc1cccc(C=CC(=O)c2[nH]c(-c3ccccc3)nc2C)c1 ZINC000917145573 1122203640 /nfs/dbraw/zinc/20/36/40/1122203640.db2.gz OEKAWRCYWWJCAM-VAWYXSNFSA-N 0 1 362.429 4.306 20 30 FIEDMN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000497410158 1122220890 /nfs/dbraw/zinc/22/08/90/1122220890.db2.gz UPCDRDARADYXPS-FQEVSTJZSA-N 0 1 355.869 4.479 20 30 FIEDMN CC(C)CN(CC(=O)N(c1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000553850098 1122302590 /nfs/dbraw/zinc/30/25/90/1122302590.db2.gz LXHRZJOTZWWYAW-UHFFFAOYSA-N 0 1 363.505 4.458 20 30 FIEDMN N#CCC[C@@H](NCc1cnc2ccc(Br)cn12)c1ccccc1 ZINC000130379083 1122839938 /nfs/dbraw/zinc/83/99/38/1122839938.db2.gz SIWKHUZPSBCAAL-QGZVFWFLSA-N 0 1 369.266 4.231 20 30 FIEDMN C[C@@H](N[C@H](C)c1cccc(Cl)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000072879287 1123171736 /nfs/dbraw/zinc/17/17/36/1123171736.db2.gz XWVNNZXIZUSLBC-HZPDHXFCSA-N 0 1 355.869 4.326 20 30 FIEDMN N#CCc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000131855390 1123193538 /nfs/dbraw/zinc/19/35/38/1123193538.db2.gz LCPNXNJRRFVIBV-UHFFFAOYSA-N 0 1 374.771 4.226 20 30 FIEDMN COC(=O)C(C)(C)[C@H](NCc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000615230238 1123348321 /nfs/dbraw/zinc/34/83/21/1123348321.db2.gz ZGPYQWYDKIDQHY-GOSISDBHSA-N 0 1 356.853 4.242 20 30 FIEDMN C=CCc1cc(OCC)cc(CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000920305927 1123437597 /nfs/dbraw/zinc/43/75/97/1123437597.db2.gz VGAYGUFIXZKTKN-VGOFRKELSA-N 0 1 367.489 4.481 20 30 FIEDMN CC(=NNc1nc2ccccc2n1C)c1cnn(-c2ccc(F)cc2)c1C ZINC000920988288 1123543692 /nfs/dbraw/zinc/54/36/92/1123543692.db2.gz ZANXEUKNNKBRPE-UHFFFAOYSA-N 0 1 362.412 4.043 20 30 FIEDMN COc1cc(CN=Nc2cccc(Cl)c2F)ccc1OC(=O)C1CC1 ZINC000921137565 1123569365 /nfs/dbraw/zinc/56/93/65/1123569365.db2.gz CSVNSWZIVUJDEX-UHFFFAOYSA-N 0 1 362.788 4.249 20 30 FIEDMN CSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000064374857 1123721123 /nfs/dbraw/zinc/72/11/23/1123721123.db2.gz FZVDAKFFXSJKRZ-UHFFFAOYSA-N 0 1 373.286 4.388 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N(CC#N)C2CCCC2)c1 ZINC000078207706 1123745154 /nfs/dbraw/zinc/74/51/54/1123745154.db2.gz HFDMTZQBWOUEJU-UHFFFAOYSA-N 0 1 361.489 4.227 20 30 FIEDMN CC(C)(C)Oc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000609658602 1123785448 /nfs/dbraw/zinc/78/54/48/1123785448.db2.gz MSKDGPAKWQJNDR-UHFFFAOYSA-N 0 1 364.854 4.190 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000610132299 1123949630 /nfs/dbraw/zinc/94/96/30/1123949630.db2.gz QDAMOQYMOYVYMX-SFHVURJKSA-N 0 1 356.853 4.436 20 30 FIEDMN C=CCC1(C(=O)N(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)CCOCC1 ZINC000615813293 1124129513 /nfs/dbraw/zinc/12/95/13/1124129513.db2.gz NCYMVBQNSIYCCQ-ZDUSSCGKSA-N 0 1 361.873 4.109 20 30 FIEDMN C[C@H](OCC1CC1)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000068336589 1124180651 /nfs/dbraw/zinc/18/06/51/1124180651.db2.gz ZQSIDRLTVARXEH-NHYWBVRUSA-N 0 1 360.866 4.455 20 30 FIEDMN N#Cc1ccc(NC[C@H](c2ccccc2)N2CCc3sccc3C2)nc1 ZINC000301064163 1124188203 /nfs/dbraw/zinc/18/82/03/1124188203.db2.gz CBWIFXBNFVHLLL-LJQANCHMSA-N 0 1 360.486 4.226 20 30 FIEDMN CCc1nnc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c(C#N)c1CC ZINC000301624261 1124247657 /nfs/dbraw/zinc/24/76/57/1124247657.db2.gz PDQXBJVABYLOHU-UHFFFAOYSA-N 0 1 370.869 4.063 20 30 FIEDMN CCCCC[C@H](NC)c1nc(-c2ccc(Br)cc2C#N)no1 ZINC001212279658 1124257648 /nfs/dbraw/zinc/25/76/48/1124257648.db2.gz XNDGVBQLEGQKGH-AWEZNQCLSA-N 0 1 363.259 4.212 20 30 FIEDMN CC(=O)c1ccc(C#N)c(NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000302096305 1124284456 /nfs/dbraw/zinc/28/44/56/1124284456.db2.gz JFMWMCSMXHEZCV-MRXNPFEDSA-N 0 1 353.491 4.146 20 30 FIEDMN CC(C)(C)N1CC[C@H](Nc2ccc(C#N)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302160369 1124289979 /nfs/dbraw/zinc/28/99/79/1124289979.db2.gz JQGRYDBAEDSJMI-WMZOPIPTSA-N 0 1 373.863 4.167 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4cc(C#N)ccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000302224174 1124296616 /nfs/dbraw/zinc/29/66/16/1124296616.db2.gz UOHQLFZNQRDTJA-OAHLLOKOSA-N 0 1 361.405 4.035 20 30 FIEDMN C[C@H](NCc1ccc(OCC#N)cc1)c1cc(Br)ccc1F ZINC000180552159 1124365579 /nfs/dbraw/zinc/36/55/79/1124365579.db2.gz ZFUFMFPCSWHJLR-LBPRGKRZSA-N 0 1 363.230 4.341 20 30 FIEDMN CN(Cc1ccco1)Cc1ccccc1CNc1c(C#N)cccc1C#N ZINC000302901955 1124366107 /nfs/dbraw/zinc/36/61/07/1124366107.db2.gz TYTPQIVWGWATKU-UHFFFAOYSA-N 0 1 356.429 4.267 20 30 FIEDMN N#CCOc1ccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180848533 1124444358 /nfs/dbraw/zinc/44/43/58/1124444358.db2.gz NIUBFQDRMXVHBF-QFIPXVFZSA-N 0 1 373.412 4.376 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2F)s1 ZINC000619547016 1124553753 /nfs/dbraw/zinc/55/37/53/1124553753.db2.gz XEBLCHRAYRCXOT-UHFFFAOYSA-N 0 1 358.419 4.227 20 30 FIEDMN CC[C@@H]1CCCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000247201112 1124598450 /nfs/dbraw/zinc/59/84/50/1124598450.db2.gz TUMUCBPGRBXJJA-IAGOWNOFSA-N 0 1 359.539 4.389 20 30 FIEDMN N#Cc1c(CN2CCC[C@H](c3nc4ccccc4o3)C2)cn2ccccc12 ZINC000073571052 1124720984 /nfs/dbraw/zinc/72/09/84/1124720984.db2.gz SKJBSJKLBARQQO-INIZCTEOSA-N 0 1 356.429 4.332 20 30 FIEDMN C[C@@H](NCc1cccnc1OC1CCCC1)c1ccc(OCC#N)cc1 ZINC000181488865 1124976566 /nfs/dbraw/zinc/97/65/66/1124976566.db2.gz PFNMTFLDRCWXHQ-MRXNPFEDSA-N 0 1 351.450 4.156 20 30 FIEDMN CC(C)(C#N)c1ccc(CN2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000618758532 1125271166 /nfs/dbraw/zinc/27/11/66/1125271166.db2.gz MHFCEXIGYHCCTN-GOSISDBHSA-N 0 1 353.441 4.065 20 30 FIEDMN C=CCN1CC[C@H](N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)C1=O ZINC000499602109 1125275630 /nfs/dbraw/zinc/27/56/30/1125275630.db2.gz JMVRKXUXHKQGFV-BEFAXECRSA-N 0 1 354.425 4.056 20 30 FIEDMN N#Cc1ccc(F)c(CNC2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000113930410 1125307645 /nfs/dbraw/zinc/30/76/45/1125307645.db2.gz GPMFQVMSLXFBNW-UHFFFAOYSA-N 0 1 352.409 4.028 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000096966979 222146845 /nfs/dbraw/zinc/14/68/45/222146845.db2.gz VQWSTJFWADYILR-HOTGVXAUSA-N 0 1 355.869 4.326 20 30 FIEDMN C=C(C)C[N@H+](CC)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000096992597 222147670 /nfs/dbraw/zinc/14/76/70/222147670.db2.gz LKPVTYJWBLKJFE-UHFFFAOYSA-N 0 1 369.490 4.058 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccccc1OC ZINC000602550695 567990669 /nfs/dbraw/zinc/99/06/69/567990669.db2.gz DWADGKIDAXAEBL-JKSUJKDBSA-N 0 1 358.507 4.011 20 30 FIEDMN Cc1ncc([C@@H](C)NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 ZINC000602954420 568028546 /nfs/dbraw/zinc/02/85/46/568028546.db2.gz DMMBKFSGSPQCKD-QWHCGFSZSA-N 0 1 374.535 4.135 20 30 FIEDMN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)c(F)c1 ZINC000541882237 568061197 /nfs/dbraw/zinc/06/11/97/568061197.db2.gz SSRCOXJAOTXWHD-YJYMSZOUSA-N 0 1 371.843 4.197 20 30 FIEDMN COc1cc(OC)c(OC)cc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000481650340 568080097 /nfs/dbraw/zinc/08/00/97/568080097.db2.gz NGRKBEDADLKSKZ-IBGZPJMESA-N 0 1 366.461 4.141 20 30 FIEDMN CC[C@H](CN(CC)CC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000481769991 568119592 /nfs/dbraw/zinc/11/95/92/568119592.db2.gz VYMNHEZMCFYSDJ-QGZVFWFLSA-N 0 1 353.466 4.222 20 30 FIEDMN N#CC(C(=O)c1cnc2ccsc2c1)c1nc(-c2ccncc2)cs1 ZINC000525796151 568274034 /nfs/dbraw/zinc/27/40/34/568274034.db2.gz VAYWXRBUKRIWNT-CYBMUJFWSA-N 0 1 362.439 4.305 20 30 FIEDMN N#C[C@H](C(=O)c1cnc2ccsc2c1)c1nc(-c2ccncc2)cs1 ZINC000525796151 568274036 /nfs/dbraw/zinc/27/40/36/568274036.db2.gz VAYWXRBUKRIWNT-CYBMUJFWSA-N 0 1 362.439 4.305 20 30 FIEDMN CC(=O)c1c(C)cc(C)c(CN(C)CCOCc2ccc(C#N)cc2)c1C ZINC000569046897 568283368 /nfs/dbraw/zinc/28/33/68/568283368.db2.gz LMBPEPMXRRGPGF-UHFFFAOYSA-N 0 1 364.489 4.335 20 30 FIEDMN COc1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc1OCCCC#N ZINC000604512429 568306623 /nfs/dbraw/zinc/30/66/23/568306623.db2.gz MSPFDSRTLIDSGD-MAUKXSAKSA-N 0 1 354.450 4.384 20 30 FIEDMN COc1cc(F)c([C@H](C)NCc2cccc(OCCCC#N)c2)cc1OC ZINC000114504001 1125544133 /nfs/dbraw/zinc/54/41/33/1125544133.db2.gz NBEGLXASKCAMCO-HNNXBMFYSA-N 0 1 372.440 4.376 20 30 FIEDMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763556931 1125565070 /nfs/dbraw/zinc/56/50/70/1125565070.db2.gz MGNNNBIVQFIJBC-FCHUYYIVSA-N 0 1 374.488 4.359 20 30 FIEDMN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cnn(Cc2ccccc2)c1 ZINC000619754852 1125680909 /nfs/dbraw/zinc/68/09/09/1125680909.db2.gz MREXSGZPVBZBDT-HNNXBMFYSA-N 0 1 350.853 4.307 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(Br)cn1 ZINC000619755031 1125681122 /nfs/dbraw/zinc/68/11/22/1125681122.db2.gz RDGTWKLIHOMQEU-SNVBAGLBSA-N 0 1 350.647 4.220 20 30 FIEDMN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000152952016 1125700772 /nfs/dbraw/zinc/70/07/72/1125700772.db2.gz JZWOYAANYHRZTF-UHFFFAOYSA-N 0 1 373.359 4.326 20 30 FIEDMN Cc1nn(C(C)C)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000579729711 1079589155 /nfs/dbraw/zinc/58/91/55/1079589155.db2.gz IXQNZJJHMOJRIE-GFCCVEGCSA-N 0 1 357.364 4.007 20 30 FIEDMN Cc1nn(C(C)C)cc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000579729711 1079589161 /nfs/dbraw/zinc/58/91/61/1079589161.db2.gz IXQNZJJHMOJRIE-GFCCVEGCSA-N 0 1 357.364 4.007 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cc(F)c(Br)c(Cl)c2)cc1O ZINC000557713210 1079625275 /nfs/dbraw/zinc/62/52/75/1079625275.db2.gz BLXDNWQYRPDPEN-UHFFFAOYSA-N 0 1 369.577 4.071 20 30 FIEDMN N#CC(C(=O)Nc1nccs1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000179472877 1080182675 /nfs/dbraw/zinc/18/26/75/1080182675.db2.gz YROORALBBDOTCS-LLVKDONJSA-N 0 1 360.851 4.166 20 30 FIEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000683251361 1080200388 /nfs/dbraw/zinc/20/03/88/1080200388.db2.gz XWTFDXDOEKOOHR-UHFFFAOYSA-N 0 1 355.213 4.205 20 30 FIEDMN C[C@@H](NCCOc1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000547747959 1080396269 /nfs/dbraw/zinc/39/62/69/1080396269.db2.gz TUNYPFLCTJRUID-CYBMUJFWSA-N 0 1 356.376 4.033 20 30 FIEDMN C=C1CCC(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)CC1 ZINC001625828061 1080445340 /nfs/dbraw/zinc/44/53/40/1080445340.db2.gz UPMMWOKWDQQNQQ-UHFFFAOYSA-N 0 1 370.474 4.172 20 30 FIEDMN C[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)CC(=O)N2C ZINC000728226085 1080578827 /nfs/dbraw/zinc/57/88/27/1080578827.db2.gz HJFAIRCVSGQSDB-UQXWMBKDSA-N 0 1 363.244 4.398 20 30 FIEDMN CCOc1ccnc(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC001167151216 1080736423 /nfs/dbraw/zinc/73/64/23/1080736423.db2.gz WFVAHDUBFIKDCI-UHFFFAOYSA-N 0 1 357.841 4.053 20 30 FIEDMN C=CCN1C(=O)N=NC1S[C@@H](CC)c1ccc(Br)cc1 ZINC000471373897 1081019502 /nfs/dbraw/zinc/01/95/02/1081019502.db2.gz UHDNWFDSUJCPBY-LBPRGKRZSA-N 0 1 354.273 4.176 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl)c1cccc(C#N)c1 ZINC000610346331 1081502685 /nfs/dbraw/zinc/50/26/85/1081502685.db2.gz UJJAFFGOUQQNES-KGLIPLIRSA-N 0 1 373.859 4.048 20 30 FIEDMN N#Cc1csc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000177693062 1081548682 /nfs/dbraw/zinc/54/86/82/1081548682.db2.gz IPBQSSHHLOEPSR-UHFFFAOYSA-N 0 1 371.469 4.157 20 30 FIEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(C2CCCC2)CC1 ZINC000610370739 1081554675 /nfs/dbraw/zinc/55/46/75/1081554675.db2.gz BFFFMHUTLFCEMP-QGZVFWFLSA-N 0 1 371.500 4.363 20 30 FIEDMN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)Nc1sccc1C#N ZINC000177742105 1081787810 /nfs/dbraw/zinc/78/78/10/1081787810.db2.gz SMZOYCACTKSDLB-STQMWFEESA-N 0 1 361.898 4.336 20 30 FIEDMN Cc1ccn(-c2ccccc2C(=O)C(C#N)c2nc(C(C)C)cs2)n1 ZINC000580279957 1081797517 /nfs/dbraw/zinc/79/75/17/1081797517.db2.gz KGISYXXMXYDNOJ-OAHLLOKOSA-N 0 1 350.447 4.251 20 30 FIEDMN COc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1OC(F)F ZINC000561125795 1081960559 /nfs/dbraw/zinc/96/05/59/1081960559.db2.gz BPRZUZPLNKUNCD-KRWDZBQOSA-N 0 1 358.388 4.335 20 30 FIEDMN CC(C)c1ccccc1NC(=O)C[C@H](C)NCc1ccc(C#N)cc1F ZINC000177857271 1082230481 /nfs/dbraw/zinc/23/04/81/1082230481.db2.gz HNHOTKIDFRQXFI-HNNXBMFYSA-N 0 1 353.441 4.328 20 30 FIEDMN CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000160738030 1082282253 /nfs/dbraw/zinc/28/22/53/1082282253.db2.gz RZIKUGZMTDTHDM-GOSISDBHSA-N 0 1 365.477 4.137 20 30 FIEDMN N#CCCC1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000581307850 1082446877 /nfs/dbraw/zinc/44/68/77/1082446877.db2.gz HQFXALKFPUTIET-JOCHJYFZSA-N 0 1 361.489 4.060 20 30 FIEDMN C=CCCCCNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430572415 1082499716 /nfs/dbraw/zinc/49/97/16/1082499716.db2.gz ODBKFPLFNYNKKC-UHFFFAOYSA-N 0 1 362.429 4.407 20 30 FIEDMN CC1(C)Cc2c(cccc2Br)[C@H]1NCc1ccc(C#N)cn1 ZINC000581437122 1082579009 /nfs/dbraw/zinc/57/90/09/1082579009.db2.gz BDCWOPPDJCDPSH-QGZVFWFLSA-N 0 1 356.267 4.129 20 30 FIEDMN O=C1[C@H](/N=C\c2cc(Cl)cc(Cl)c2O)CCN1c1ccccc1F ZINC000255311808 1082610415 /nfs/dbraw/zinc/61/04/15/1082610415.db2.gz LAKHVDHRFDAWCG-FGJCKKKHSA-N 0 1 367.207 4.063 20 30 FIEDMN N#Cc1ccc(CN2CCC(c3ccnc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000581615312 1082709818 /nfs/dbraw/zinc/70/98/18/1082709818.db2.gz BRNBAURLJOHHHQ-UHFFFAOYSA-N 0 1 372.428 4.394 20 30 FIEDMN CCOc1ncc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1Cl ZINC000430625082 1082743242 /nfs/dbraw/zinc/74/32/42/1082743242.db2.gz JASAXXMBUWTESR-NSHDSACASA-N 0 1 363.870 4.378 20 30 FIEDMN C=CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000656759434 1082752310 /nfs/dbraw/zinc/75/23/10/1082752310.db2.gz GEUAZEKMVFXYOH-IAQYHMDHSA-N 0 1 356.235 4.002 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnn(Cc3ccccc3)c2)s1 ZINC000430641259 1082817117 /nfs/dbraw/zinc/81/71/17/1082817117.db2.gz LSOGATXFXRJXLQ-INIZCTEOSA-N 0 1 364.474 4.175 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)s1 ZINC000430652047 1082850545 /nfs/dbraw/zinc/85/05/45/1082850545.db2.gz WUQZKONINKHVEP-LBPRGKRZSA-N 0 1 368.418 4.320 20 30 FIEDMN C=C1CCC(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001266811737 1082855397 /nfs/dbraw/zinc/85/53/97/1082855397.db2.gz AJUPPTZHPDPRQU-APWZRJJASA-N 0 1 364.892 4.335 20 30 FIEDMN C#CCOc1ccc([C@@H](C)NCc2cccc(C(=O)N[C@@H](C)CC)c2)cc1 ZINC000161074204 1083076547 /nfs/dbraw/zinc/07/65/47/1083076547.db2.gz NTIRLZOYPYIYCO-ZWKOTPCHSA-N 0 1 364.489 4.078 20 30 FIEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000431181390 1083388069 /nfs/dbraw/zinc/38/80/69/1083388069.db2.gz SESNUECLDZAKOF-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN Cc1cc(OCCN2CCC(C#N)(c3ccccn3)CC2)ccc1C(C)C ZINC000548865956 1083401702 /nfs/dbraw/zinc/40/17/02/1083401702.db2.gz UTQLKHBFEQNEMG-UHFFFAOYSA-N 0 1 363.505 4.450 20 30 FIEDMN C[C@@H]1Oc2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2NC1=O ZINC000255692011 1083415774 /nfs/dbraw/zinc/41/57/74/1083415774.db2.gz HKTIDFOLSPRJPX-QMMMGPOBSA-N 0 1 351.189 4.169 20 30 FIEDMN C=CCOc1cc(OC)ccc1C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000192484701 1083503764 /nfs/dbraw/zinc/50/37/64/1083503764.db2.gz PIWJKKOUGYRGDZ-UHFFFAOYSA-N 0 1 367.405 4.112 20 30 FIEDMN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000892484408 1083708338 /nfs/dbraw/zinc/70/83/38/1083708338.db2.gz IYXZUKBMTJOUPQ-TUKIKUTGSA-N 0 1 364.417 4.085 20 30 FIEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000277077118 1083735646 /nfs/dbraw/zinc/73/56/46/1083735646.db2.gz RLSXPHCYBYRFEC-QWHCGFSZSA-N 0 1 354.458 4.002 20 30 FIEDMN N#CCCCCNC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000458287524 1083818787 /nfs/dbraw/zinc/81/87/87/1083818787.db2.gz LEVUZMUFXRKZPI-INIZCTEOSA-N 0 1 359.861 4.147 20 30 FIEDMN Cn1cc(CN(Cc2cccc(F)c2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179925954 1083902998 /nfs/dbraw/zinc/90/29/98/1083902998.db2.gz HPTITYIJHFHVPW-UHFFFAOYSA-N 0 1 360.436 4.262 20 30 FIEDMN COCc1ccsc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000181427683 1083912038 /nfs/dbraw/zinc/91/20/38/1083912038.db2.gz KTZJFOLIKVVKMI-NSHDSACASA-N 0 1 361.373 4.129 20 30 FIEDMN COCc1ccsc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000181427683 1083912041 /nfs/dbraw/zinc/91/20/41/1083912041.db2.gz KTZJFOLIKVVKMI-NSHDSACASA-N 0 1 361.373 4.129 20 30 FIEDMN CN(Cc1ccnc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21 ZINC000610992867 1083942151 /nfs/dbraw/zinc/94/21/51/1083942151.db2.gz OXTNFYBDELQLDG-INIZCTEOSA-N 0 1 374.307 4.385 20 30 FIEDMN C=CCn1c(S[C@H](C)c2n[nH]c(CC)n2)nnc1-c1cccc(Cl)c1 ZINC000657252499 1084071953 /nfs/dbraw/zinc/07/19/53/1084071953.db2.gz NCJAIFMTPXFRQH-LLVKDONJSA-N 0 1 374.901 4.318 20 30 FIEDMN N#C[C@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccn1 ZINC000613296528 1084558081 /nfs/dbraw/zinc/55/80/81/1084558081.db2.gz IZCGXFCLLWELEF-IBGZPJMESA-N 0 1 364.408 4.424 20 30 FIEDMN N#CC(C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccn1 ZINC000613296528 1084558088 /nfs/dbraw/zinc/55/80/88/1084558088.db2.gz IZCGXFCLLWELEF-IBGZPJMESA-N 0 1 364.408 4.424 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)C=Cc3ccco3)n2)cc1 ZINC000066544159 1084639317 /nfs/dbraw/zinc/63/93/17/1084639317.db2.gz ONWRTQBAUFFRHZ-FDMDGMSGSA-N 0 1 350.399 4.301 20 30 FIEDMN COc1ccc2oc([C@H](C)NCc3cnc4ccc(C#N)cn34)c(C)c2c1 ZINC000551529507 1084668956 /nfs/dbraw/zinc/66/89/56/1084668956.db2.gz DUJPUSAGPKKYHU-AWEZNQCLSA-N 0 1 360.417 4.120 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000613446533 1084743150 /nfs/dbraw/zinc/74/31/50/1084743150.db2.gz KGEDOEADRRZMDH-IBGZPJMESA-N 0 1 370.537 4.242 20 30 FIEDMN Cc1c(F)cccc1S(=O)(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000174717176 1084818351 /nfs/dbraw/zinc/81/83/51/1084818351.db2.gz XWMQXEHZDJRHIB-GFCCVEGCSA-N 0 1 364.467 4.187 20 30 FIEDMN CCN(CC1CCN(Cc2ccc(C#N)s2)CC1)C(=O)OC(C)(C)C ZINC000180218437 1084910910 /nfs/dbraw/zinc/91/09/10/1084910910.db2.gz BYTOCLLSDACXOH-UHFFFAOYSA-N 0 1 363.527 4.089 20 30 FIEDMN COc1ccc(-c2nc(C)c([C@@H](C)NCc3ccc(C#N)cn3)s2)cc1 ZINC000562037364 1084912313 /nfs/dbraw/zinc/91/23/13/1084912313.db2.gz VWOXMKALXAELDD-CYBMUJFWSA-N 0 1 364.474 4.245 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000048786703 1085220437 /nfs/dbraw/zinc/22/04/37/1085220437.db2.gz UEDFDOPNRJJGLH-QGZVFWFLSA-N 0 1 353.422 4.488 20 30 FIEDMN Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000124961375 1085226132 /nfs/dbraw/zinc/22/61/32/1085226132.db2.gz WZEPZJCACCVEJD-PKOBYXMFSA-N 0 1 350.462 4.133 20 30 FIEDMN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000661116164 1085399500 /nfs/dbraw/zinc/39/95/00/1085399500.db2.gz WHYYMYYGLWDLRN-DOTOQJQBSA-N 0 1 370.522 4.323 20 30 FIEDMN C=CC[C@@H]1CCCN(Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000661381646 1085539913 /nfs/dbraw/zinc/53/99/13/1085539913.db2.gz NNHLYTRBMKFZHF-MRXNPFEDSA-N 0 1 355.507 4.112 20 30 FIEDMN C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000661380653 1085540383 /nfs/dbraw/zinc/54/03/83/1085540383.db2.gz HZIFTMODHZCZKB-MOPGFXCFSA-N 0 1 366.509 4.104 20 30 FIEDMN C=CC[C@H]1CCCN(Cc2csc(CC(=O)Nc3ccccc3C)n2)C1 ZINC000661382174 1085540439 /nfs/dbraw/zinc/54/04/39/1085540439.db2.gz TZZXNZXWJWUVGI-KRWDZBQOSA-N 0 1 369.534 4.421 20 30 FIEDMN C=C(C)[C@H](NC[C@@H](O)COc1cccc2[nH]ccc21)c1ccc(F)c(F)c1 ZINC000187767178 1085661030 /nfs/dbraw/zinc/66/10/30/1085661030.db2.gz FBQZOLIJQKJLPN-VFNWGFHPSA-N 0 1 372.415 4.093 20 30 FIEDMN C=C(C)[C@@H](NC[C@@H](O)COc1cccc2[nH]ccc21)c1ccc(F)c(F)c1 ZINC000187767196 1085671309 /nfs/dbraw/zinc/67/13/09/1085671309.db2.gz FBQZOLIJQKJLPN-QVKFZJNVSA-N 0 1 372.415 4.093 20 30 FIEDMN CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CC[C@H]1c1ccccc1 ZINC000472256828 1085691302 /nfs/dbraw/zinc/69/13/02/1085691302.db2.gz KMRIIDGFXGBKAW-DBXWQHBBSA-N 0 1 361.489 4.401 20 30 FIEDMN OC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1c1ccccc1 ZINC000661665256 1085721230 /nfs/dbraw/zinc/72/12/30/1085721230.db2.gz JVJLIRBVOHUGJI-PZJWPPBQSA-N 0 1 373.418 4.155 20 30 FIEDMN Cc1nn(C)cc1[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905874 1085805046 /nfs/dbraw/zinc/80/50/46/1085805046.db2.gz XPMUHOSVYYDOLR-MRXNPFEDSA-N 0 1 360.461 4.030 20 30 FIEDMN CC(C)CN1Cc2cccc(NC(=O)c3c(F)cc(C#N)cc3F)c2C1 ZINC000162191715 1086010159 /nfs/dbraw/zinc/01/01/59/1086010159.db2.gz SGRZVOMYWWMLHO-UHFFFAOYSA-N 0 1 355.388 4.060 20 30 FIEDMN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)CC(C)(C)CCC#N ZINC000162318150 1086037617 /nfs/dbraw/zinc/03/76/17/1086037617.db2.gz RMDRXCISIGOWQI-UHFFFAOYSA-N 0 1 360.889 4.118 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2cccc(Br)c2)no1 ZINC000662081583 1086104535 /nfs/dbraw/zinc/10/45/35/1086104535.db2.gz VKRXHHQIAGMQLR-GASCZTMLSA-N 0 1 360.255 4.182 20 30 FIEDMN CC[C@](C)(OC)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000796648405 1086377870 /nfs/dbraw/zinc/37/78/70/1086377870.db2.gz BGOAWGQBQFOGJX-BMIGLBTASA-N 0 1 356.369 4.306 20 30 FIEDMN C=C(C)COc1cc(CNC2(c3cccc(OC)c3)CC2)ccc1OC ZINC000150906127 1086563325 /nfs/dbraw/zinc/56/33/25/1086563325.db2.gz KNKDDLBZVBWHSQ-UHFFFAOYSA-N 0 1 353.462 4.438 20 30 FIEDMN N#Cc1cccc(CNCc2cc3ccccc3nc2N2CCCCC2)c1 ZINC000066971884 1086615598 /nfs/dbraw/zinc/61/55/98/1086615598.db2.gz ARUNQEKBVUYAFU-UHFFFAOYSA-N 0 1 356.473 4.387 20 30 FIEDMN C=CCC1(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CCCCC1 ZINC000458564375 1086748143 /nfs/dbraw/zinc/74/81/43/1086748143.db2.gz GVPWJSVWMTXYSH-GOSISDBHSA-N 0 1 370.541 4.185 20 30 FIEDMN C=C(C)CN(CCOc1ccc(Cl)c(F)c1)Cc1ccc(CO)o1 ZINC000512153448 1086844412 /nfs/dbraw/zinc/84/44/12/1086844412.db2.gz SSYQHMRPMOXRCJ-UHFFFAOYSA-N 0 1 353.821 4.022 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C)C[C@H](C)C1 ZINC000246757056 1086952997 /nfs/dbraw/zinc/95/29/97/1086952997.db2.gz QNYKDLIKQPZGBL-IXDOHACOSA-N 0 1 359.539 4.245 20 30 FIEDMN COc1ccccc1-c1n[nH]c(NC(=O)CSCc2cccc(C)c2)n1 ZINC000052778592 1087151201 /nfs/dbraw/zinc/15/12/01/1087151201.db2.gz LUXHPVVLACMFSR-UHFFFAOYSA-N 0 1 368.462 4.310 20 30 FIEDMN CCOc1c(Cl)cccc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000573167358 1087243333 /nfs/dbraw/zinc/24/33/33/1087243333.db2.gz DJMMMMUUKPCIHL-UHFFFAOYSA-N 0 1 358.869 4.259 20 30 FIEDMN CC(C)c1nc([C@@H]2CCCCN2CC(=O)Nc2ccccc2Cl)n[nH]1 ZINC000329851840 1087527154 /nfs/dbraw/zinc/52/71/54/1087527154.db2.gz RBQUTKAJDRZVBU-HNNXBMFYSA-N 0 1 361.877 4.397 20 30 FIEDMN COc1cccc([C@@H](C)N2CCN(c3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000609509857 1087728668 /nfs/dbraw/zinc/72/86/68/1087728668.db2.gz VCMQDWXCRCUEFG-OAHLLOKOSA-N 0 1 355.869 4.103 20 30 FIEDMN C=CCC1(C(=O)Nc2cc(Br)cc(Cl)c2O)CCOCC1 ZINC000424741997 1088195275 /nfs/dbraw/zinc/19/52/75/1088195275.db2.gz FXSXFIFOLFLFGO-UHFFFAOYSA-N 0 1 374.662 4.120 20 30 FIEDMN C=CCC1(C(=O)Nc2cc(Cl)cc(Br)c2O)CCOCC1 ZINC000424742672 1088197591 /nfs/dbraw/zinc/19/75/91/1088197591.db2.gz AEUHYCCCDSNWDJ-UHFFFAOYSA-N 0 1 374.662 4.120 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@H](c3nccs3)C2)c(Br)c1 ZINC000181044040 1088234204 /nfs/dbraw/zinc/23/42/04/1088234204.db2.gz ABDFQTMXOLXCFX-AWEZNQCLSA-N 0 1 362.296 4.157 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)ccc1C#N ZINC000508131062 1088480878 /nfs/dbraw/zinc/48/08/78/1088480878.db2.gz JRYYRRZRZNKIJN-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2F)cc1Br ZINC000120154956 1088495966 /nfs/dbraw/zinc/49/59/66/1088495966.db2.gz RNGKTVHZNGNLFK-LLVKDONJSA-N 0 1 363.230 4.319 20 30 FIEDMN N#CC(C(=O)c1c2c(nc3ccccc31)CCC2)c1nc2ccccc2o1 ZINC000505456461 1088901234 /nfs/dbraw/zinc/90/12/34/1088901234.db2.gz ANAQHWFWWVBVHU-HNNXBMFYSA-N 0 1 353.381 4.355 20 30 FIEDMN N#Cc1ccsc1N1CC[C@@H](Sc2nc3ccc(Cl)cc3[nH]2)C1=O ZINC000434796996 1089047361 /nfs/dbraw/zinc/04/73/61/1089047361.db2.gz WRKZMWWIUXFSOA-CYBMUJFWSA-N 0 1 374.878 4.047 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4c(C#N)cccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000425241827 1089141138 /nfs/dbraw/zinc/14/11/38/1089141138.db2.gz BBJJEBNRCBBYSU-HNNXBMFYSA-N 0 1 361.405 4.035 20 30 FIEDMN Cc1cc(C)c2c(c1)C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC2 ZINC000434984487 1089183619 /nfs/dbraw/zinc/18/36/19/1089183619.db2.gz XYGAXDHDMXOHSG-UHFFFAOYSA-N 0 1 371.488 4.034 20 30 FIEDMN Cc1cc(C)c2c(c1)CN(Cc1cn(CCC#N)nc1-c1ccncc1)CC2 ZINC000434984487 1089183631 /nfs/dbraw/zinc/18/36/31/1089183631.db2.gz XYGAXDHDMXOHSG-UHFFFAOYSA-N 0 1 371.488 4.034 20 30 FIEDMN COc1ccc(CN[C@H]2c3ccc(F)cc3O[C@H]2C)cc1OCCCC#N ZINC000377397653 1089312101 /nfs/dbraw/zinc/31/21/01/1089312101.db2.gz KKYFRZWBMZCIBG-LHSJRXKWSA-N 0 1 370.424 4.129 20 30 FIEDMN COc1ccc(CN[C@H]2c3ccc(F)cc3O[C@@H]2C)cc1OCCCC#N ZINC000377397655 1089313006 /nfs/dbraw/zinc/31/30/06/1089313006.db2.gz KKYFRZWBMZCIBG-SPLOXXLWSA-N 0 1 370.424 4.129 20 30 FIEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cnc(CC(F)(F)F)s2)c1 ZINC000892973429 1089540053 /nfs/dbraw/zinc/54/00/53/1089540053.db2.gz RAOWOXVFMJELLZ-ZDUSSCGKSA-N 0 1 369.412 4.219 20 30 FIEDMN CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435338433 1089543452 /nfs/dbraw/zinc/54/34/52/1089543452.db2.gz DLPDZBXSGUMOLV-NTCAYCPXSA-N 0 1 357.413 4.090 20 30 FIEDMN COc1ccc2oc(C(=O)C(C#N)c3nc4ccccc4n3C)c(C)c2c1 ZINC000122643820 1089815032 /nfs/dbraw/zinc/81/50/32/1089815032.db2.gz ILANCYSNKXKOCM-OAHLLOKOSA-N 0 1 359.385 4.127 20 30 FIEDMN COc1ccc2oc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)c(C)c2c1 ZINC000122643820 1089815051 /nfs/dbraw/zinc/81/50/51/1089815051.db2.gz ILANCYSNKXKOCM-OAHLLOKOSA-N 0 1 359.385 4.127 20 30 FIEDMN COc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C#N)cc4[nH]3)c2)cc1 ZINC000515162605 1089819280 /nfs/dbraw/zinc/81/92/80/1089819280.db2.gz QNOOXVFMEOUIEW-UHFFFAOYSA-N 0 1 368.396 4.362 20 30 FIEDMN CSc1ccc([C@H](CNc2cc(C(C)=O)ccc2C#N)N(C)C)cc1 ZINC000515154997 1089832484 /nfs/dbraw/zinc/83/24/84/1089832484.db2.gz BTGHIYGIWXGKDP-FQEVSTJZSA-N 0 1 353.491 4.198 20 30 FIEDMN Cc1nc2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2[nH]1 ZINC000549344380 1089854996 /nfs/dbraw/zinc/85/49/96/1089854996.db2.gz BLASAKKVMHGFJT-LBPRGKRZSA-N 0 1 350.447 4.375 20 30 FIEDMN Cc1oc(C#N)cc1C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000435699500 1089884748 /nfs/dbraw/zinc/88/47/48/1089884748.db2.gz YCRAIBYNDFHZEP-UHFFFAOYSA-N 0 1 360.348 4.394 20 30 FIEDMN Cn1nccc1C1CCN(C([O-])=[NH+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000330176553 1090052356 /nfs/dbraw/zinc/05/23/56/1090052356.db2.gz KAZBWPBDSHJODZ-WOJBJXKFSA-N 0 1 366.509 4.240 20 30 FIEDMN COc1ccc(C[N@H+](Cc2ccc(C#N)s2)CC2CCC2)c(OC)c1 ZINC000549422714 1090319884 /nfs/dbraw/zinc/31/98/84/1090319884.db2.gz IMSSTJOAJBFOOP-UHFFFAOYSA-N 0 1 356.491 4.439 20 30 FIEDMN COc1ccc(CN(Cc2ccc(C#N)s2)CC2CCC2)c(OC)c1 ZINC000549422714 1090319891 /nfs/dbraw/zinc/31/98/91/1090319891.db2.gz IMSSTJOAJBFOOP-UHFFFAOYSA-N 0 1 356.491 4.439 20 30 FIEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@]2(CC=CCC2)C1 ZINC000512208875 1091911277 /nfs/dbraw/zinc/91/12/77/1091911277.db2.gz IOBRANWZDMXUKC-YCRPNKLZSA-N 0 1 369.534 4.258 20 30 FIEDMN CCc1c(C)nn(-c2cccc(C(=O)C(C#N)c3nc(C)cs3)c2)c1C ZINC000500467513 1092105914 /nfs/dbraw/zinc/10/59/14/1092105914.db2.gz GAHGZXBDUZQNQH-SFHVURJKSA-N 0 1 364.474 4.307 20 30 FIEDMN CCc1c(C)nn(-c2cccc(C(=O)[C@H](C#N)c3nc(C)cs3)c2)c1C ZINC000500467513 1092105923 /nfs/dbraw/zinc/10/59/23/1092105923.db2.gz GAHGZXBDUZQNQH-SFHVURJKSA-N 0 1 364.474 4.307 20 30 FIEDMN CSc1nc(C2CC2)cc(C(=O)Nc2cc(Cl)ccc2O)c1C#N ZINC000436794240 1092137319 /nfs/dbraw/zinc/13/73/19/1092137319.db2.gz UOGISIBIGIWWCP-UHFFFAOYSA-N 0 1 359.838 4.164 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(Br)c3C)[nH]c21 ZINC000442730617 1092740644 /nfs/dbraw/zinc/74/06/44/1092740644.db2.gz OLSAINZTAUEICI-CYBMUJFWSA-N 0 1 368.234 4.432 20 30 FIEDMN COc1cc(CN2CCC(c3nc4cccc(C)c4o3)CC2)ccc1C#N ZINC000443060650 1092924356 /nfs/dbraw/zinc/92/43/56/1092924356.db2.gz HDBTUHYMRRPOBU-UHFFFAOYSA-N 0 1 361.445 4.396 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cc1O ZINC000443072608 1092934207 /nfs/dbraw/zinc/93/42/07/1092934207.db2.gz OHONRNAMQKSKNW-UHFFFAOYSA-N 0 1 373.796 4.432 20 30 FIEDMN CC(C)(CO)[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1cccs1 ZINC000573528076 1092941893 /nfs/dbraw/zinc/94/18/93/1092941893.db2.gz RGGBVNAZEBJASD-INIZCTEOSA-N 0 1 366.433 4.071 20 30 FIEDMN CCCCc1nc2ccc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)cc2[nH]1 ZINC000521884612 1092959629 /nfs/dbraw/zinc/95/96/29/1092959629.db2.gz LBFWNBKLRZFQOH-CQSZACIVSA-N 0 1 362.433 4.183 20 30 FIEDMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000512595767 1092977251 /nfs/dbraw/zinc/97/72/51/1092977251.db2.gz VMTNAUDRDMIYAY-QRWLVFNGSA-N 0 1 363.461 4.125 20 30 FIEDMN N#CCCOCCN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000521915581 1092977406 /nfs/dbraw/zinc/97/74/06/1092977406.db2.gz APUGCWVGSIAUQT-CYBMUJFWSA-N 0 1 354.294 4.219 20 30 FIEDMN COCCOc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512611184 1092989008 /nfs/dbraw/zinc/98/90/08/1092989008.db2.gz IOEKQETTWFXGHP-LSDHHAIUSA-N 0 1 372.440 4.143 20 30 FIEDMN CCN(CC)[C@@H](C(=O)Nc1ccc(CC#N)cc1Cl)c1ccccc1 ZINC000411010183 1093043858 /nfs/dbraw/zinc/04/38/58/1093043858.db2.gz BPXZJTWYLKOXHH-LJQANCHMSA-N 0 1 355.869 4.428 20 30 FIEDMN C[C@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(C#N)cc1F ZINC000512637400 1093054541 /nfs/dbraw/zinc/05/45/41/1093054541.db2.gz VKRCYYBGURVIDQ-AWEZNQCLSA-N 0 1 363.392 4.393 20 30 FIEDMN COc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)cc(OC)c1OC ZINC000512643044 1093057942 /nfs/dbraw/zinc/05/79/42/1093057942.db2.gz VBRPSMMTOBQHFY-CHWSQXEVSA-N 0 1 358.413 4.135 20 30 FIEDMN COc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)cc(OC)c1OC ZINC000512643045 1093058607 /nfs/dbraw/zinc/05/86/07/1093058607.db2.gz VBRPSMMTOBQHFY-OLZOCXBDSA-N 0 1 358.413 4.135 20 30 FIEDMN C=CC1CCN(Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)CC1 ZINC000522081687 1093075944 /nfs/dbraw/zinc/07/59/44/1093075944.db2.gz SZKUSTUTRDAJHS-UHFFFAOYSA-N 0 1 350.422 4.098 20 30 FIEDMN C[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(C#N)cc1F ZINC000512666314 1093105749 /nfs/dbraw/zinc/10/57/49/1093105749.db2.gz JVIURVUJRVICDH-MRXNPFEDSA-N 0 1 352.457 4.179 20 30 FIEDMN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000522194722 1093196227 /nfs/dbraw/zinc/19/62/27/1093196227.db2.gz JEBPPRBMLHUKRE-CYBMUJFWSA-N 0 1 360.417 4.108 20 30 FIEDMN N#CC(C(=O)c1cnc2c(F)cccc2c1)c1nc(-c2ccncc2)cs1 ZINC000429677586 1093205789 /nfs/dbraw/zinc/20/57/89/1093205789.db2.gz YAKJIHIILDJEOM-OAHLLOKOSA-N 0 1 374.400 4.382 20 30 FIEDMN N#C[C@H](C(=O)c1cnc2c(F)cccc2c1)c1nc(-c2ccncc2)cs1 ZINC000429677586 1093205795 /nfs/dbraw/zinc/20/57/95/1093205795.db2.gz YAKJIHIILDJEOM-OAHLLOKOSA-N 0 1 374.400 4.382 20 30 FIEDMN N#Cc1cccc(COc2cccc(CNCc3cnn4ccccc34)c2)c1 ZINC000512849511 1093447809 /nfs/dbraw/zinc/44/78/09/1093447809.db2.gz FQGXWNPUIHOAJM-UHFFFAOYSA-N 0 1 368.440 4.075 20 30 FIEDMN COc1cc(CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000512854388 1093454475 /nfs/dbraw/zinc/45/44/75/1093454475.db2.gz AZHAKUAMZUEXLJ-KRWDZBQOSA-N 0 1 365.260 4.087 20 30 FIEDMN CC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(Cl)cc1 ZINC000182309759 1093756299 /nfs/dbraw/zinc/75/62/99/1093756299.db2.gz HEEVWMONEYKCRX-SJCJKPOMSA-N 0 1 359.857 4.489 20 30 FIEDMN CCO[C@H](C)C(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000729070710 1093926216 /nfs/dbraw/zinc/92/62/16/1093926216.db2.gz SXZGWNDPYMWVJM-JLZSUIFSSA-N 0 1 358.507 4.212 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000513416605 1094116035 /nfs/dbraw/zinc/11/60/35/1094116035.db2.gz OVGNBZCFSFPZPY-CQSZACIVSA-N 0 1 366.490 4.130 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c(Cl)c1 ZINC000183005807 1094261318 /nfs/dbraw/zinc/26/13/18/1094261318.db2.gz YYSIEWWVYLTMSN-UHFFFAOYSA-N 0 1 373.821 4.031 20 30 FIEDMN N#CC(C(=O)c1cncn1-c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000513666137 1094263268 /nfs/dbraw/zinc/26/32/68/1094263268.db2.gz JQPFNITUSDKIKA-AWEZNQCLSA-N 0 1 362.389 4.111 20 30 FIEDMN N#CC(=C([O-])c1c[nH+]cn1-c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000513666137 1094263274 /nfs/dbraw/zinc/26/32/74/1094263274.db2.gz JQPFNITUSDKIKA-AWEZNQCLSA-N 0 1 362.389 4.111 20 30 FIEDMN N#C[C@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC000041555601 1094633047 /nfs/dbraw/zinc/63/30/47/1094633047.db2.gz KJOAFUSUPWBLEA-NSHDSACASA-N 0 1 369.686 4.152 20 30 FIEDMN N#CC(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC000041555601 1094633055 /nfs/dbraw/zinc/63/30/55/1094633055.db2.gz KJOAFUSUPWBLEA-NSHDSACASA-N 0 1 369.686 4.152 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000041519008 1094642771 /nfs/dbraw/zinc/64/27/71/1094642771.db2.gz LTBIZOYENDJXEW-AWEZNQCLSA-N 0 1 367.455 4.255 20 30 FIEDMN Cc1cc(C)c(-c2csc(NC(=O)[C@H]3CCc4[nH]nnc4C3)n2)cc1C ZINC000329088278 1094734977 /nfs/dbraw/zinc/73/49/77/1094734977.db2.gz VQYKRAAHIAGRGB-ZDUSSCGKSA-N 0 1 367.478 4.247 20 30 FIEDMN Cc1cc(C)c(-c2csc(NC(=O)[C@H]3CCc4nn[nH]c4C3)n2)cc1C ZINC000329088278 1094734988 /nfs/dbraw/zinc/73/49/88/1094734988.db2.gz VQYKRAAHIAGRGB-ZDUSSCGKSA-N 0 1 367.478 4.247 20 30 FIEDMN O=C(NC1(c2ccc(F)cc2F)CCCCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329157659 1094759015 /nfs/dbraw/zinc/75/90/15/1094759015.db2.gz DHCXCAPXEIWRGM-GFCCVEGCSA-N 0 1 360.408 4.004 20 30 FIEDMN O=C(NC1(c2ccc(F)cc2F)CCCCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329157659 1094759024 /nfs/dbraw/zinc/75/90/24/1094759024.db2.gz DHCXCAPXEIWRGM-GFCCVEGCSA-N 0 1 360.408 4.004 20 30 FIEDMN C[C@@H](C(=O)NC1CCC(C)CC1)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000329336360 1094848436 /nfs/dbraw/zinc/84/84/36/1094848436.db2.gz LSLASLDNENBXIL-JZRYZNKLSA-N 0 1 354.498 4.207 20 30 FIEDMN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000329378171 1094872515 /nfs/dbraw/zinc/87/25/15/1094872515.db2.gz OVYSHLBMZRFHIQ-PBHICJAKSA-N 0 1 373.472 4.010 20 30 FIEDMN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cc(F)cc2nc[nH]c21 ZINC000329503235 1094941910 /nfs/dbraw/zinc/94/19/10/1094941910.db2.gz KVRRAGZRUCJHKZ-INIZCTEOSA-N 0 1 367.428 4.396 20 30 FIEDMN C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCCC2(CCOCC2)C1 ZINC000329627238 1095018978 /nfs/dbraw/zinc/01/89/78/1095018978.db2.gz UFGMPKAVQXDEMW-CQSZACIVSA-N 0 1 359.495 4.165 20 30 FIEDMN CCc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)s1 ZINC000329638718 1095036020 /nfs/dbraw/zinc/03/60/20/1095036020.db2.gz AUCLIGGCTLPPPG-IPMKNSEASA-N 0 1 364.555 4.173 20 30 FIEDMN Cc1cccc(C)c1NC(=O)CN1CCCC[C@H]1c1n[nH]c(C(C)C)n1 ZINC000329724492 1095221193 /nfs/dbraw/zinc/22/11/93/1095221193.db2.gz BPDPDVIKVUOIND-INIZCTEOSA-N 0 1 355.486 4.360 20 30 FIEDMN Cc1noc(C2CC2)c1NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000329775839 1095259316 /nfs/dbraw/zinc/25/93/16/1095259316.db2.gz NKHABJIURVFPFM-RHSMWYFYSA-N 0 1 354.454 4.022 20 30 FIEDMN C[C@H](Sc1c[nH]nn1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000329797333 1095268081 /nfs/dbraw/zinc/26/80/81/1095268081.db2.gz FLLBUTRZFAHTEI-NSHDSACASA-N 0 1 360.439 4.005 20 30 FIEDMN CC1(NC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)Cc2ccccc2C1 ZINC000329804390 1095270859 /nfs/dbraw/zinc/27/08/59/1095270859.db2.gz ZZBBWXXGVMWLCT-UXHICEINSA-N 0 1 368.452 4.107 20 30 FIEDMN CC1(NC([O-])=[NH+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)Cc2ccccc2C1 ZINC000329804390 1095270870 /nfs/dbraw/zinc/27/08/70/1095270870.db2.gz ZZBBWXXGVMWLCT-UXHICEINSA-N 0 1 368.452 4.107 20 30 FIEDMN C[C@H](NC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1Cl ZINC000329870889 1095300488 /nfs/dbraw/zinc/30/04/88/1095300488.db2.gz AIMAVFGGCZAPSK-RYUDHWBXSA-N 0 1 367.280 4.017 20 30 FIEDMN C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000330015645 1095351491 /nfs/dbraw/zinc/35/14/91/1095351491.db2.gz OHMWFZQWCQBACW-YUMQZZPRSA-N 0 1 360.635 4.401 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CCC[C@@H]1c1ccccc1)CC2 ZINC000330026228 1095356381 /nfs/dbraw/zinc/35/63/81/1095356381.db2.gz BKMVUNOFFZZBJR-RTBURBONSA-N 0 1 352.482 4.072 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H]([NH+]=C([O-])N(C1CC1)C1CCC(C)CC1)CC2 ZINC000330114061 1095384657 /nfs/dbraw/zinc/38/46/57/1095384657.db2.gz SPEGPDUJFMOMEP-NXYGQSRBSA-N 0 1 358.530 4.278 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1)CC2 ZINC000330118766 1095386813 /nfs/dbraw/zinc/38/68/13/1095386813.db2.gz YYVMONVKEFRHFK-MOPGFXCFSA-N 0 1 370.472 4.212 20 30 FIEDMN O=C(Nc1ccc(OC2CCCC2)c(F)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000330137791 1095393181 /nfs/dbraw/zinc/39/31/81/1095393181.db2.gz VCTCVVPLHYRTQM-INIZCTEOSA-N 0 1 358.417 4.083 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000330152209 1095397024 /nfs/dbraw/zinc/39/70/24/1095397024.db2.gz WNUDVEGAYZHLLJ-HNNXBMFYSA-N 0 1 365.264 4.066 20 30 FIEDMN C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCC[C@H](c3ccccc3)C2)C[C@H]1n1ccnc1 ZINC000330186196 1095408890 /nfs/dbraw/zinc/40/88/90/1095408890.db2.gz RWAHVPZUJMKSNN-GFOJFJKKSA-N 0 1 366.509 4.406 20 30 FIEDMN COc1ccc(CNCc2ccc(C#N)c(F)c2)c(OC2CCCC2)c1 ZINC000421368946 1095568424 /nfs/dbraw/zinc/56/84/24/1095568424.db2.gz VGMNYEHAQYEEPL-UHFFFAOYSA-N 0 1 354.425 4.317 20 30 FIEDMN N#Cc1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)o1 ZINC000366961568 1095669881 /nfs/dbraw/zinc/66/98/81/1095669881.db2.gz JZYBNPWPRONVKI-GOSISDBHSA-N 0 1 364.367 4.428 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H]3CCC[C@H]32)c1C#N ZINC000444182316 1095819385 /nfs/dbraw/zinc/81/93/85/1095819385.db2.gz KXXMZWHWZPSMOE-YLJYHZDGSA-N 0 1 368.525 4.295 20 30 FIEDMN N#Cc1ccc(CN[C@@H]2CCCOc3ccc(Br)cc32)s1 ZINC000421848733 1095969519 /nfs/dbraw/zinc/96/95/19/1095969519.db2.gz ANDMXZJZCDKTPT-OAHLLOKOSA-N 0 1 363.280 4.386 20 30 FIEDMN Cc1csc(-c2cccc(C(=O)[C@@H](C#N)c3nc4c(nccc4C)[nH]3)c2)n1 ZINC000429592643 1095976168 /nfs/dbraw/zinc/97/61/68/1095976168.db2.gz UAMVPSKDRNQACY-OAHLLOKOSA-N 0 1 373.441 4.188 20 30 FIEDMN C[C@@H]1C[C@]1(NCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000503365730 1096368578 /nfs/dbraw/zinc/36/85/78/1096368578.db2.gz HTAIZBXOJSFFCY-IIBYNOLFSA-N 0 1 367.880 4.112 20 30 FIEDMN COc1cc(CN2CCSC[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000532968779 1098635482 /nfs/dbraw/zinc/63/54/82/1098635482.db2.gz OGRDXDLUTBWHRW-INIZCTEOSA-N 0 1 368.502 4.083 20 30 FIEDMN N#Cc1ccccc1CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533047080 1098711408 /nfs/dbraw/zinc/71/14/08/1098711408.db2.gz BLVJDRFGEWZXKV-GOSISDBHSA-N 0 1 362.408 4.127 20 30 FIEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H]1c1ccsc1 ZINC000533238686 1098909522 /nfs/dbraw/zinc/90/95/22/1098909522.db2.gz CBUGQGDQXIXMCX-CAZWYBIWSA-N 0 1 359.539 4.204 20 30 FIEDMN C=CCC1(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CCOCC1 ZINC000425543514 1099001854 /nfs/dbraw/zinc/00/18/54/1099001854.db2.gz HVZLFMYVFRJKJU-KRWDZBQOSA-N 0 1 373.884 4.253 20 30 FIEDMN N#Cc1cnc2ccccc2c1N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000516143274 1099224985 /nfs/dbraw/zinc/22/49/85/1099224985.db2.gz AOPSCPGIJLSIFU-GFCCVEGCSA-N 0 1 371.366 4.232 20 30 FIEDMN N#Cc1ccc2ncc(CNCc3ccccc3OCc3ccccc3)n2c1 ZINC000237852662 1099764732 /nfs/dbraw/zinc/76/47/32/1099764732.db2.gz KEYPFWXKZJVDQA-UHFFFAOYSA-N 0 1 368.440 4.075 20 30 FIEDMN COc1ccc([C@H]2CCN(Cc3ccc(C#N)cc3OC(F)F)C2)cc1 ZINC000437353582 1099824522 /nfs/dbraw/zinc/82/45/22/1099824522.db2.gz DNBNTGDFXMPPCV-INIZCTEOSA-N 0 1 358.388 4.158 20 30 FIEDMN C=CCc1cc(CN(C)Cc2cc(OC)c(OC)cc2C)cc(OC)c1O ZINC000506052344 1099926333 /nfs/dbraw/zinc/92/63/33/1099926333.db2.gz XOETVKCPXJTTSZ-UHFFFAOYSA-N 0 1 371.477 4.087 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)[C@H](C)C2(C)CC2)c1C#N ZINC000437543116 1099987601 /nfs/dbraw/zinc/98/76/01/1099987601.db2.gz ZDTOOCLRSPBUGG-MRXNPFEDSA-N 0 1 356.514 4.151 20 30 FIEDMN C[C@@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000459422343 1100153315 /nfs/dbraw/zinc/15/33/15/1100153315.db2.gz ZKEWGCIWPSOUKE-OAHLLOKOSA-N 0 1 370.456 4.449 20 30 FIEDMN COCC1(C#N)CCN(Cc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC000459516962 1100256390 /nfs/dbraw/zinc/25/63/90/1100256390.db2.gz FASJATFLGGDXCY-UHFFFAOYSA-N 0 1 364.489 4.423 20 30 FIEDMN CCC(C)(C)OCc1cccc(NS(=O)(=O)c2ccccc2C#N)c1C ZINC000425972226 1100562144 /nfs/dbraw/zinc/56/21/44/1100562144.db2.gz XBSJFJFLSAZRNF-UHFFFAOYSA-N 0 1 372.490 4.373 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H](C(C)C)C2)c1C#N ZINC000438491350 1100694648 /nfs/dbraw/zinc/69/46/48/1100694648.db2.gz RJTWTURZACSTLK-KRWDZBQOSA-N 0 1 356.514 4.008 20 30 FIEDMN N#Cc1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(Cl)c1 ZINC000459673382 1101313787 /nfs/dbraw/zinc/31/37/87/1101313787.db2.gz YNYGRIBRRCFZFU-MRXNPFEDSA-N 0 1 372.818 4.393 20 30 FIEDMN C=CCN1C(=O)N=NC1S[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000550015264 1101317239 /nfs/dbraw/zinc/31/72/39/1101317239.db2.gz VCPBJARDXMRMKL-HNNXBMFYSA-N 0 1 365.886 4.083 20 30 FIEDMN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000190646310 1101332215 /nfs/dbraw/zinc/33/22/15/1101332215.db2.gz KIYPFGWMRKMIFD-UHFFFAOYSA-N 0 1 371.396 4.077 20 30 FIEDMN CC[C@@H]1Cc2c(Br)cccc2CN1CCCSCC#N ZINC000518683657 1101421232 /nfs/dbraw/zinc/42/12/32/1101421232.db2.gz ZNAPLKRIEQSJLM-CQSZACIVSA-N 0 1 353.329 4.233 20 30 FIEDMN CC[C@H]1Oc2cc([C@H](C)NCc3ccc(C#N)cc3Cl)ccc2NC1=O ZINC000439427738 1101425638 /nfs/dbraw/zinc/42/56/38/1101425638.db2.gz AXKHJFCIYNYHMY-KPZWWZAWSA-N 0 1 369.852 4.172 20 30 FIEDMN N#Cc1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)c(Cl)c1 ZINC000439442728 1101442619 /nfs/dbraw/zinc/44/26/19/1101442619.db2.gz MOMBOTBIWYDIIA-UHFFFAOYSA-N 0 1 353.853 4.062 20 30 FIEDMN N#Cc1ccc(CN2CCC(c3c[nH]c4ncccc34)CC2)c(Cl)c1 ZINC000439457082 1101446650 /nfs/dbraw/zinc/44/66/50/1101446650.db2.gz PSWVSKFLPKPMDW-UHFFFAOYSA-N 0 1 350.853 4.468 20 30 FIEDMN CSc1ccc([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000439468611 1101467007 /nfs/dbraw/zinc/46/70/07/1101467007.db2.gz LPLDGZGEQNGGNI-GFCCVEGCSA-N 0 1 359.520 4.248 20 30 FIEDMN CCOc1ccccc1[C@H](CC(C)C)NCC(=O)NC1(C#N)CCCCC1 ZINC000537123724 1101468782 /nfs/dbraw/zinc/46/87/82/1101468782.db2.gz DHQOATVCRLWIHD-IBGZPJMESA-N 0 1 371.525 4.105 20 30 FIEDMN CSc1ccc([C@@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000439483127 1101497577 /nfs/dbraw/zinc/49/75/77/1101497577.db2.gz FLYATLFAYUFGCG-GFCCVEGCSA-N 0 1 359.882 4.223 20 30 FIEDMN CCOc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(OCC#N)cc1)CCO2 ZINC000180542643 1101578648 /nfs/dbraw/zinc/57/86/48/1101578648.db2.gz NONBCDMBOHVTCY-FOIQADDNSA-N 0 1 352.434 4.162 20 30 FIEDMN CCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000439628230 1101633727 /nfs/dbraw/zinc/63/37/27/1101633727.db2.gz YBHKJVHCZDDTTG-UHFFFAOYSA-N 0 1 370.261 4.098 20 30 FIEDMN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)Cc1ccsc1 ZINC000426484329 1101753730 /nfs/dbraw/zinc/75/37/30/1101753730.db2.gz GGIPMXPXQZIGOR-CYBMUJFWSA-N 0 1 361.898 4.165 20 30 FIEDMN N#C[C@@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1ccncn1 ZINC000760347617 1101931398 /nfs/dbraw/zinc/93/13/98/1101931398.db2.gz WTYVRVBGHWMILM-OAHLLOKOSA-N 0 1 372.453 4.346 20 30 FIEDMN CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000426648820 1102244466 /nfs/dbraw/zinc/24/44/66/1102244466.db2.gz UZTWERAWNGJWGZ-UHFFFAOYSA-N 0 1 360.417 4.216 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccc(Br)c(Cl)c2)n1 ZINC000121299476 1102367384 /nfs/dbraw/zinc/36/73/84/1102367384.db2.gz YRYDNYVIDMVMHM-VIFPVBQESA-N 0 1 355.644 4.358 20 30 FIEDMN N#Cc1ccc(CNCc2cc(Br)ccc2OC(F)F)cc1 ZINC000237800551 1102649684 /nfs/dbraw/zinc/64/96/84/1102649684.db2.gz CIXNIZMSRQUPJF-UHFFFAOYSA-N 0 1 367.193 4.212 20 30 FIEDMN CC(C)(COc1ncccc1C(F)(F)F)NCc1ccc(F)cc1C#N ZINC000502230783 1102771484 /nfs/dbraw/zinc/77/14/84/1102771484.db2.gz IGXGRIXJMWOTFM-UHFFFAOYSA-N 0 1 367.346 4.058 20 30 FIEDMN N#Cc1ccc(C2=CCN(C(=O)c3cc(C4CCCCC4)[nH]n3)CC2)cc1 ZINC000536616713 1102906093 /nfs/dbraw/zinc/90/60/93/1102906093.db2.gz IYGIVQAOHCKERW-UHFFFAOYSA-N 0 1 360.461 4.259 20 30 FIEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1sc2ccccc2c1Cl ZINC000053524722 1102938985 /nfs/dbraw/zinc/93/89/85/1102938985.db2.gz QEYMHZWOBUGTEX-UHFFFAOYSA-N 0 1 355.810 4.371 20 30 FIEDMN COc1ccc2nc(N(Cc3ccccc3)C[C@@H](C#N)CCC#N)[nH]c2c1 ZINC000551232063 1103004374 /nfs/dbraw/zinc/00/43/74/1103004374.db2.gz XBJUJAVXAWYZQB-QGZVFWFLSA-N 0 1 359.433 4.022 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H]3CCCC[C@@H]3C2)c1C#N ZINC000426828611 1103028232 /nfs/dbraw/zinc/02/82/32/1103028232.db2.gz LPPDQYAMCCBRLP-QZTJIDSGSA-N 0 1 368.525 4.152 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cccc(C)c2C)no1 ZINC001211975327 1103129855 /nfs/dbraw/zinc/12/98/55/1103129855.db2.gz DFEUPFHXTJMEPH-MJGOQNOKSA-N 0 1 357.498 4.432 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC001211975747 1103134268 /nfs/dbraw/zinc/13/42/68/1103134268.db2.gz OYFWEFCYGGKRPX-SJORKVTESA-N 0 1 363.889 4.468 20 30 FIEDMN Cc1cc(Cl)c2ccccc2c1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427306755 1103432694 /nfs/dbraw/zinc/43/26/94/1103432694.db2.gz DAIKWFYSIAZWHT-UHFFFAOYSA-N 0 1 371.849 4.178 20 30 FIEDMN C=CC[C@@H](C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1 ZINC000427468450 1103570800 /nfs/dbraw/zinc/57/08/00/1103570800.db2.gz CPTZOGNZAYQFCU-CQSZACIVSA-N 0 1 352.825 4.424 20 30 FIEDMN N#CC(C(=O)c1cccc(-c2nc[nH]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000551773606 1103613622 /nfs/dbraw/zinc/61/36/22/1103613622.db2.gz KOFHBNHUTVVVQK-INIZCTEOSA-N 0 1 371.425 4.085 20 30 FIEDMN Cc1oc(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C2CC2)c(C#N)c1C ZINC000192784208 1103652800 /nfs/dbraw/zinc/65/28/00/1103652800.db2.gz NJSRRRAADJFLSF-GOSISDBHSA-N 0 1 357.841 4.101 20 30 FIEDMN C=CCOc1cccc(CNCc2cc(Br)ccc2F)c1 ZINC000519645129 1103763740 /nfs/dbraw/zinc/76/37/40/1103763740.db2.gz AODDNFSPAALIBP-UHFFFAOYSA-N 0 1 350.231 4.443 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(OC(F)(F)F)c3)[nH]c21 ZINC000477679606 1103792074 /nfs/dbraw/zinc/79/20/74/1103792074.db2.gz JNPJUXIMJBNJJF-CYBMUJFWSA-N 0 1 359.307 4.260 20 30 FIEDMN CCOc1ncc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1Cl ZINC000430625081 1104037631 /nfs/dbraw/zinc/03/76/31/1104037631.db2.gz JASAXXMBUWTESR-LLVKDONJSA-N 0 1 363.870 4.378 20 30 FIEDMN C[C@@H](NCc1cccc(C#N)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000151397431 1104149787 /nfs/dbraw/zinc/14/97/87/1104149787.db2.gz OUCIRVVNQFLJIE-MRXNPFEDSA-N 0 1 368.502 4.125 20 30 FIEDMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000328684295 1104535874 /nfs/dbraw/zinc/53/58/74/1104535874.db2.gz DYNKVCKWWVRKDG-HUUCEWRRSA-N 0 1 364.449 4.121 20 30 FIEDMN O=C(CN[C@@H](c1cncc(Br)c1)C1CC1)NC1CCCCC1 ZINC000328928117 1104603938 /nfs/dbraw/zinc/60/39/38/1104603938.db2.gz XQBLCFNOFHDDRP-QGZVFWFLSA-N 0 1 366.303 4.174 20 30 FIEDMN C=C(C)COc1cc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)ccc1OC ZINC000520459766 1104761193 /nfs/dbraw/zinc/76/11/93/1104761193.db2.gz HWEVJRVLIAMPCQ-GOSISDBHSA-N 0 1 355.482 4.327 20 30 FIEDMN C=CCN(Cc1cccs1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000520564619 1105001426 /nfs/dbraw/zinc/00/14/26/1105001426.db2.gz DNAYNPOYYOBOII-OAHLLOKOSA-N 0 1 371.424 4.195 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C1CCC(C)CC1 ZINC000170983508 1105016234 /nfs/dbraw/zinc/01/62/34/1105016234.db2.gz KUBIBYJLJRUQMB-CGZBRXJRSA-N 0 1 359.539 4.387 20 30 FIEDMN COc1c2ccccc2oc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000474003504 1105100340 /nfs/dbraw/zinc/10/03/40/1105100340.db2.gz VIVRTQFHANAHIP-UHFFFAOYSA-N 0 1 372.428 4.003 20 30 FIEDMN N#Cc1cccc(CN[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000474020970 1105277224 /nfs/dbraw/zinc/27/72/24/1105277224.db2.gz RYJSNCMLMOHNKF-KRWDZBQOSA-N 0 1 374.271 4.150 20 30 FIEDMN N#Cc1cnc(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c(Cl)c1 ZINC000427797323 1105286437 /nfs/dbraw/zinc/28/64/37/1105286437.db2.gz KIZDNWHGTRBMPS-UHFFFAOYSA-N 0 1 373.803 4.402 20 30 FIEDMN CC(C)(C#N)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000530421891 1107016279 /nfs/dbraw/zinc/01/62/79/1107016279.db2.gz CPAUGTJLBBPNRU-UHFFFAOYSA-N 0 1 365.824 4.179 20 30 FIEDMN Cc1ccccc1[C@H](CO)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000530616642 1107200045 /nfs/dbraw/zinc/20/00/45/1107200045.db2.gz BCUPTQNESXIYCK-DEOSSOPVSA-N 0 1 372.468 4.269 20 30 FIEDMN CN(CCCCC(C)(C)C#N)CC(=O)Nc1ccccc1Br ZINC000444598108 1108026361 /nfs/dbraw/zinc/02/63/61/1108026361.db2.gz PLXQXFGCVKPLIQ-UHFFFAOYSA-N 0 1 366.303 4.039 20 30 FIEDMN C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000445726933 1108966873 /nfs/dbraw/zinc/96/68/73/1108966873.db2.gz VFQYMSJXTVALCU-VQIMIIECSA-N 0 1 361.873 4.109 20 30 FIEDMN Cc1cc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1C#N ZINC000475637145 1109066596 /nfs/dbraw/zinc/06/65/96/1109066596.db2.gz XGXOQHDEJFFHNW-QGZVFWFLSA-N 0 1 368.786 4.362 20 30 FIEDMN COc1cc(C#N)ccc1OCCN(Cc1ccco1)Cc1ccccc1 ZINC000525422951 1109384646 /nfs/dbraw/zinc/38/46/46/1109384646.db2.gz KDOZHPBHHGSRIC-UHFFFAOYSA-N 0 1 362.429 4.241 20 30 FIEDMN N#Cc1cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1Cl ZINC000544418194 1109479475 /nfs/dbraw/zinc/47/94/75/1109479475.db2.gz AFZHBYNHBFYJDZ-UHFFFAOYSA-N 0 1 364.714 4.359 20 30 FIEDMN CN(C)[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)cc1 ZINC000527012945 1109666099 /nfs/dbraw/zinc/66/60/99/1109666099.db2.gz FCAUNJPBMBPKGE-IBGZPJMESA-N 0 1 369.896 4.174 20 30 FIEDMN CC(C)(C)c1cnc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000447928589 1109680831 /nfs/dbraw/zinc/68/08/31/1109680831.db2.gz FBJWIZRHWBYXQP-HNNXBMFYSA-N 0 1 372.513 4.210 20 30 FIEDMN C=C(Cl)COc1ccc([C@@H](C)N[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000527996441 1109880595 /nfs/dbraw/zinc/88/05/95/1109880595.db2.gz DAMPEZGRKTWSSR-KUHUBIRLSA-N 0 1 356.853 4.032 20 30 FIEDMN C=CCC[C@H](NCc1ccnc(OC)n1)c1ccc(C(F)(F)F)cc1 ZINC000449187131 1109994980 /nfs/dbraw/zinc/99/49/80/1109994980.db2.gz KNJMMVFQHJLMNZ-INIZCTEOSA-N 0 1 351.372 4.301 20 30 FIEDMN N#Cc1ccc(CN2CCC(Cc3nc(C4CCCC4)no3)CC2)s1 ZINC000528583036 1110037877 /nfs/dbraw/zinc/03/78/77/1110037877.db2.gz OBBRDKJIHOMCMG-UHFFFAOYSA-N 0 1 356.495 4.115 20 30 FIEDMN N#CC1(CCCN2CCc3cccc(C(F)(F)F)c3C2)CCOCC1 ZINC000528797015 1110115667 /nfs/dbraw/zinc/11/56/67/1110115667.db2.gz MKZXTKDTHLHPDG-UHFFFAOYSA-N 0 1 352.400 4.164 20 30 FIEDMN C[C@H](Sc1ccccc1Cl)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053528345 1110163442 /nfs/dbraw/zinc/16/34/42/1110163442.db2.gz BVHKYIVHEHWYFO-JTQLQIEISA-N 0 1 359.842 4.289 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc3cc(=O)[nH]cc32)s1 ZINC000529007962 1110170808 /nfs/dbraw/zinc/17/08/08/1110170808.db2.gz HQHPADQFFYBHJF-CYBMUJFWSA-N 0 1 351.431 4.184 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(-c3csnn3)cc2)s1 ZINC000529009253 1110175934 /nfs/dbraw/zinc/17/59/34/1110175934.db2.gz NGICNFIPQRXNAW-CYBMUJFWSA-N 0 1 368.487 4.449 20 30 FIEDMN C[C@@H](NCc1ccccc1OCC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000538507842 1111173580 /nfs/dbraw/zinc/17/35/80/1111173580.db2.gz HNZPOPBKPWWUDR-GFCCVEGCSA-N 0 1 352.331 4.489 20 30 FIEDMN Cc1cc(C)c2ncc(C#N)c(N3CCN(Cc4ccccc4)CC3)c2c1 ZINC000461462894 1111226319 /nfs/dbraw/zinc/22/63/19/1111226319.db2.gz KJARUONJNVREBK-UHFFFAOYSA-N 0 1 356.473 4.046 20 30 FIEDMN N#Cc1ccc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)s1 ZINC000538739124 1111272242 /nfs/dbraw/zinc/27/22/42/1111272242.db2.gz IRGASAKXGGGCFG-GOSISDBHSA-N 0 1 371.893 4.221 20 30 FIEDMN C[C@H](C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cccc(C#N)c1 ZINC000461925238 1111414142 /nfs/dbraw/zinc/41/41/42/1111414142.db2.gz CAVFIOHOWBSQIJ-ORAYPTAESA-N 0 1 360.417 4.028 20 30 FIEDMN CC[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000539252357 1111487597 /nfs/dbraw/zinc/48/75/97/1111487597.db2.gz JYZDESLBNRJGRS-CXAGYDPISA-N 0 1 373.403 4.228 20 30 FIEDMN CC[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000539252358 1111487736 /nfs/dbraw/zinc/48/77/36/1111487736.db2.gz JYZDESLBNRJGRS-DYVFJYSZSA-N 0 1 373.403 4.228 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CNC(C)(C)c2cccc(F)c2)c1 ZINC000539312227 1111508301 /nfs/dbraw/zinc/50/83/01/1111508301.db2.gz MCJVBXCBNZCGHB-UHFFFAOYSA-N 0 1 367.468 4.214 20 30 FIEDMN C=CCOc1ccc(CN[C@H](C)c2ccc(NC(C)=O)cc2OC)cc1 ZINC000552091249 1111572291 /nfs/dbraw/zinc/57/22/91/1111572291.db2.gz GUFQQZMIHIXUSL-OAHLLOKOSA-N 0 1 354.450 4.069 20 30 FIEDMN CC[C@@](C)(C#N)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000552138347 1111590179 /nfs/dbraw/zinc/59/01/79/1111590179.db2.gz NRMQQELSGFHDAN-ZDUSSCGKSA-N 0 1 360.286 4.095 20 30 FIEDMN N#Cc1ccccc1S(=O)(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000553373106 1111961292 /nfs/dbraw/zinc/96/12/92/1111961292.db2.gz NZFDMTNXMZXHNH-UHFFFAOYSA-N 0 1 370.474 4.208 20 30 FIEDMN CCCOc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c(C)c1 ZINC000479480320 1112039338 /nfs/dbraw/zinc/03/93/38/1112039338.db2.gz NTJHABIBQHWOOZ-UHFFFAOYSA-N 0 1 364.854 4.110 20 30 FIEDMN N#CCC[C@@H](C#N)CNCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000554552295 1112393189 /nfs/dbraw/zinc/39/31/89/1112393189.db2.gz RMAAODKBCTXALP-FQEVSTJZSA-N 0 1 369.472 4.132 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(Cl)cc(Br)c2)n1 ZINC000156244902 1112465677 /nfs/dbraw/zinc/46/56/77/1112465677.db2.gz IHGWYARTCXGPMJ-NSHDSACASA-N 0 1 355.644 4.358 20 30 FIEDMN C=C(C)[C@@H](N[C@H](C)CC(=O)N1CCCCCC1)c1ccc(F)c(F)c1 ZINC000480658646 1112534087 /nfs/dbraw/zinc/53/40/87/1112534087.db2.gz BMDOUDLGVBSDJO-FOIQADDNSA-N 0 1 350.453 4.353 20 30 FIEDMN C=CCCCCCN(C)C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000482092863 1113171135 /nfs/dbraw/zinc/17/11/35/1113171135.db2.gz HJSMWHATZVHIKH-UHFFFAOYSA-N 0 1 358.511 4.077 20 30 FIEDMN Cc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1CCC(C)C ZINC000160068725 1113288201 /nfs/dbraw/zinc/28/82/01/1113288201.db2.gz XKVBQTZHEGQCJT-AWEZNQCLSA-N 0 1 364.371 4.142 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1CCC(C)C ZINC000160068725 1113288205 /nfs/dbraw/zinc/28/82/05/1113288205.db2.gz XKVBQTZHEGQCJT-AWEZNQCLSA-N 0 1 364.371 4.142 20 30 FIEDMN CN(C(=O)C1CC1)c1ccccc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000483208927 1113465758 /nfs/dbraw/zinc/46/57/58/1113465758.db2.gz BCPZDQHBCCDDHP-LJQANCHMSA-N 0 1 369.424 4.098 20 30 FIEDMN CC(C)n1ncc2cc(C(=O)C(C#N)c3nccc4ccccc43)cnc21 ZINC000483238952 1113469698 /nfs/dbraw/zinc/46/96/98/1113469698.db2.gz DHRJNLNJRPXKHL-GOSISDBHSA-N 0 1 355.401 4.050 20 30 FIEDMN N#CC(C(=O)c1ncccc1OCC(F)(F)F)c1nccc2ccccc21 ZINC000483230480 1113472507 /nfs/dbraw/zinc/47/25/07/1113472507.db2.gz HEJCMTITMDZIOO-AWEZNQCLSA-N 0 1 371.318 4.061 20 30 FIEDMN N#C[C@H](C(=O)c1ncccc1OCC(F)(F)F)c1nccc2ccccc21 ZINC000483230480 1113472509 /nfs/dbraw/zinc/47/25/09/1113472509.db2.gz HEJCMTITMDZIOO-AWEZNQCLSA-N 0 1 371.318 4.061 20 30 FIEDMN CCCOc1ccc(C(C)(C)NCC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000483289476 1113480958 /nfs/dbraw/zinc/48/09/58/1113480958.db2.gz NHDWTUAWMWSWKY-UHFFFAOYSA-N 0 1 369.465 4.020 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C)c1C#N ZINC000027136737 1113517903 /nfs/dbraw/zinc/51/79/03/1113517903.db2.gz DDFHZLKBCKXHHM-MRXNPFEDSA-N 0 1 358.530 4.397 20 30 FIEDMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000613252339 1113618041 /nfs/dbraw/zinc/61/80/41/1113618041.db2.gz VZPQNNWZJKRFNJ-ZACQAIPSSA-N 0 1 372.488 4.133 20 30 FIEDMN N#CC(C(=O)CCC1CCC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000175101580 1113943613 /nfs/dbraw/zinc/94/36/13/1113943613.db2.gz RSGLQBGSPCRASY-CQSZACIVSA-N 0 1 352.406 4.229 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CNCc2cccc(Cl)c2F)ccc1OC ZINC000150897340 1114160846 /nfs/dbraw/zinc/16/08/46/1114160846.db2.gz FRQMHWABOZMTNA-HNNXBMFYSA-N 0 1 362.832 4.458 20 30 FIEDMN C=CCn1cccc1C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000490081067 1114214074 /nfs/dbraw/zinc/21/40/74/1114214074.db2.gz RQSFWTZOANNJLF-UHFFFAOYSA-N 0 1 369.428 4.379 20 30 FIEDMN Fc1cc2[nH]c(=NN=Cc3ccc(CSC(F)F)o3)[nH]c2cc1F ZINC000912825218 1114216008 /nfs/dbraw/zinc/21/60/08/1114216008.db2.gz LZODGVYQVURHJN-UHFFFAOYSA-N 0 1 358.320 4.336 20 30 FIEDMN C[C@@H](C1CC1)N(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000029724993 1114364881 /nfs/dbraw/zinc/36/48/81/1114364881.db2.gz FZEWLEYMCWIVQQ-ZDUSSCGKSA-N 0 1 357.523 4.090 20 30 FIEDMN Cc1cccc(CN(C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1C ZINC000428722394 1114498993 /nfs/dbraw/zinc/49/89/93/1114498993.db2.gz PMTZEAKZTFPVKR-GOSISDBHSA-N 0 1 367.468 4.210 20 30 FIEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1O ZINC000572056803 1114596110 /nfs/dbraw/zinc/59/61/10/1114596110.db2.gz AQKCWKJHDAOXCU-DOTOQJQBSA-N 0 1 374.362 4.323 20 30 FIEDMN Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)c(OC[C@@H]2CCCO2)c1 ZINC000572083248 1114597352 /nfs/dbraw/zinc/59/73/52/1114597352.db2.gz ICKYDUSKVXSQGI-RBBKRZOGSA-N 0 1 362.473 4.202 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4ccc([N+](=O)[O-])c(C#N)c4)C3)[nH]c2c1 ZINC000589590783 1114813799 /nfs/dbraw/zinc/81/37/99/1114813799.db2.gz BORJKCNMHUSWEF-CQSZACIVSA-N 0 1 361.405 4.035 20 30 FIEDMN COc1ccccc1-c1nc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cs1 ZINC000057740282 1114990727 /nfs/dbraw/zinc/99/07/27/1114990727.db2.gz CCQPFTSZMHUARZ-CYBMUJFWSA-N 0 1 374.425 4.185 20 30 FIEDMN COc1ccc(CN2CC(Cc3ccccc3C)C2)cc1OCCCC#N ZINC000590967194 1114997824 /nfs/dbraw/zinc/99/78/24/1114997824.db2.gz GORLIUWCHVNZGJ-UHFFFAOYSA-N 0 1 364.489 4.361 20 30 FIEDMN C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)COCc1ccccc1F ZINC000057944131 1115035181 /nfs/dbraw/zinc/03/51/81/1115035181.db2.gz VAFSNHRYALAVLL-OAHLLOKOSA-N 0 1 369.889 4.106 20 30 FIEDMN CC(C)N1CC[C@H](NCc2ccncc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000592113451 1115203451 /nfs/dbraw/zinc/20/34/51/1115203451.db2.gz RONAOHGVDGMUIG-VQTJNVASSA-N 0 1 372.875 4.059 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)c1cccc(Br)c1O ZINC000592448158 1115232846 /nfs/dbraw/zinc/23/28/46/1115232846.db2.gz QHPTWWHMYWGYLT-UHFFFAOYSA-N 0 1 352.253 4.045 20 30 FIEDMN N#CC[C@]1(O)CCN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000592522900 1115240472 /nfs/dbraw/zinc/24/04/72/1115240472.db2.gz HWGFIGCKYGOJBO-KRWDZBQOSA-N 0 1 351.233 4.104 20 30 FIEDMN N#CC(C(=O)c1ccc2c(c1)OCCCO2)c1nc2cc(F)ccc2s1 ZINC000592974565 1115272194 /nfs/dbraw/zinc/27/21/94/1115272194.db2.gz UGINKCCHPCDPKB-CYBMUJFWSA-N 0 1 368.389 4.087 20 30 FIEDMN N#Cc1cnn2cc(C[N@H+]3CCCCC[C@H]3/C=C/c3cccs3)cnc12 ZINC000592507709 1115334407 /nfs/dbraw/zinc/33/44/07/1115334407.db2.gz YSHNUAORTRBPTJ-DVBCCOPCSA-N 0 1 363.490 4.120 20 30 FIEDMN N#Cc1cnn2cc(CN3CCCCC[C@H]3/C=C/c3cccs3)cnc12 ZINC000592507709 1115334411 /nfs/dbraw/zinc/33/44/11/1115334411.db2.gz YSHNUAORTRBPTJ-DVBCCOPCSA-N 0 1 363.490 4.120 20 30 FIEDMN CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(CN(CC)CC)o2)cc1 ZINC000594029259 1115365607 /nfs/dbraw/zinc/36/56/07/1115365607.db2.gz IWIAYWJDCCFGHJ-IBGZPJMESA-N 0 1 353.466 4.021 20 30 FIEDMN O=C(COCCc1ccccc1)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000059008815 1115399569 /nfs/dbraw/zinc/39/95/69/1115399569.db2.gz WDANUPIJWKETPP-UHFFFAOYSA-N 0 1 372.428 4.472 20 30 FIEDMN COc1ccc([C@@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1NC(C)=O ZINC000594514604 1115457794 /nfs/dbraw/zinc/45/77/94/1115457794.db2.gz JHVNWRUEGULLKC-OAHLLOKOSA-N 0 1 363.461 4.255 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000594781218 1115480901 /nfs/dbraw/zinc/48/09/01/1115480901.db2.gz AXTKYOQXSHDWAR-OLZOCXBDSA-N 0 1 371.294 4.052 20 30 FIEDMN N#CC1(c2ccc(CNC[C@@H](OC3CCCC3)C(F)(F)F)cc2)CC1 ZINC000594965775 1115503711 /nfs/dbraw/zinc/50/37/11/1115503711.db2.gz DJINBDWWQRSURW-QGZVFWFLSA-N 0 1 352.400 4.221 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cccc(C3CCCC3)c2)n1 ZINC000595240576 1115521136 /nfs/dbraw/zinc/52/11/36/1115521136.db2.gz IDOYZHHMRRTQDH-MRXNPFEDSA-N 0 1 368.458 4.467 20 30 FIEDMN N#Cc1ccc(CCN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 ZINC000595296221 1115521602 /nfs/dbraw/zinc/52/16/02/1115521602.db2.gz XWRZJLQEQMMYRX-ZIAGYGMSSA-N 0 1 350.306 4.163 20 30 FIEDMN C[C@H](OC(=O)Cc1ccccc1CC#N)c1nc2ccc(Cl)cc2[nH]1 ZINC000761105493 1115524267 /nfs/dbraw/zinc/52/42/67/1115524267.db2.gz VFZHECJEJPTFPW-LBPRGKRZSA-N 0 1 353.809 4.129 20 30 FIEDMN COc1ccc(C(C)C)cc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595769612 1115559904 /nfs/dbraw/zinc/55/99/04/1115559904.db2.gz SPOSVSCSVUIYRN-UHFFFAOYSA-N 0 1 364.489 4.486 20 30 FIEDMN N#Cc1cccc(-c2nnc(CN3CCC[C@H](C4CCCCC4)C3)o2)c1 ZINC000595881587 1115565835 /nfs/dbraw/zinc/56/58/35/1115565835.db2.gz UIKOMGXYBRBWNU-IBGZPJMESA-N 0 1 350.466 4.401 20 30 FIEDMN COc1cc2nccc(N3CCC[C@@H](CC#N)C3)c2cc1Br ZINC000596326517 1115584173 /nfs/dbraw/zinc/58/41/73/1115584173.db2.gz ULCOSBUDLGFJIL-LBPRGKRZSA-N 0 1 360.255 4.136 20 30 FIEDMN CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccncc1 ZINC000596594482 1115600718 /nfs/dbraw/zinc/60/07/18/1115600718.db2.gz VKYRYNWWMLAGPO-IBGZPJMESA-N 0 1 368.868 4.018 20 30 FIEDMN CC1(C)CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccncc1 ZINC000596594482 1115600721 /nfs/dbraw/zinc/60/07/21/1115600721.db2.gz VKYRYNWWMLAGPO-IBGZPJMESA-N 0 1 368.868 4.018 20 30 FIEDMN CC(C)(C#N)CCCCN1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000596605637 1115601496 /nfs/dbraw/zinc/60/14/96/1115601496.db2.gz MRNULLXOFNKWNZ-UHFFFAOYSA-N 0 1 356.445 4.169 20 30 FIEDMN CCN(CC(=O)N[C@H](c1ccccc1)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477339 1115646135 /nfs/dbraw/zinc/64/61/35/1115646135.db2.gz AVLDLUSMYVSBDS-UZUQRXQVSA-N 0 1 361.489 4.209 20 30 FIEDMN CCOc1ccc([C@H](NCc2cccc(C#N)n2)C(C)C)cc1OCC ZINC000602501326 1115706718 /nfs/dbraw/zinc/70/67/18/1115706718.db2.gz FWYNIXVYTZRTPX-OAQYLSRUSA-N 0 1 353.466 4.238 20 30 FIEDMN COc1cc([C@@H](C)NCc2cccc(C#N)n2)ccc1OCCC(C)C ZINC000602516450 1115707757 /nfs/dbraw/zinc/70/77/57/1115707757.db2.gz MAVDVHIMLZUEAI-MRXNPFEDSA-N 0 1 353.466 4.238 20 30 FIEDMN N#Cc1ccc(C2(NCc3ccnn3CCc3ccccc3)CCC2)cc1 ZINC000598652054 1115743333 /nfs/dbraw/zinc/74/33/33/1115743333.db2.gz WQPYUTICZBUPLT-UHFFFAOYSA-N 0 1 356.473 4.166 20 30 FIEDMN CC(C)(C)OC(=O)c1ccc(CNC2(c3cccc(C#N)c3)CC2)s1 ZINC000598971501 1115773728 /nfs/dbraw/zinc/77/37/28/1115773728.db2.gz UYAAKKOZLOLBDJ-UHFFFAOYSA-N 0 1 354.475 4.354 20 30 FIEDMN C[C@H](c1ccc(Cl)cc1Cl)N(C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599259906 1115803326 /nfs/dbraw/zinc/80/33/26/1115803326.db2.gz RKBABVJICCZAOO-HIFRSBDPSA-N 0 1 371.308 4.058 20 30 FIEDMN N#Cc1cc2c(nc1NC[C@@H](c1cccc(Cl)c1)N1CCCC1)CCC2 ZINC000603850812 1115821171 /nfs/dbraw/zinc/82/11/71/1115821171.db2.gz FFHYEGILDAAIGH-FQEVSTJZSA-N 0 1 366.896 4.344 20 30 FIEDMN CCCN(CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000603882573 1115825759 /nfs/dbraw/zinc/82/57/59/1115825759.db2.gz QMKHTMUZQISLNN-HSZRJFAPSA-N 0 1 361.489 4.038 20 30 FIEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603890218 1115826716 /nfs/dbraw/zinc/82/67/16/1115826716.db2.gz UBLWMRSMHIJMHR-VQIMIIECSA-N 0 1 372.472 4.246 20 30 FIEDMN Cc1ccc2sc(CNC3(c4ccc(C#N)cc4)CCOCC3)nc2c1 ZINC000599630959 1115832630 /nfs/dbraw/zinc/83/26/30/1115832630.db2.gz QCPWXFVDEQEKBN-UHFFFAOYSA-N 0 1 363.486 4.272 20 30 FIEDMN CC(C)Oc1ccccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000604012518 1115840903 /nfs/dbraw/zinc/84/09/03/1115840903.db2.gz LLDNHZMUXFJENZ-UHFFFAOYSA-N 0 1 363.505 4.053 20 30 FIEDMN N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3F)cc2)cc1 ZINC000604457644 1115866857 /nfs/dbraw/zinc/86/68/57/1115866857.db2.gz JKRNJIREMYHFQG-UHFFFAOYSA-N 0 1 368.389 4.290 20 30 FIEDMN Cc1c(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cnn1-c1ccccc1C ZINC000605363354 1115891057 /nfs/dbraw/zinc/89/10/57/1115891057.db2.gz VNUJIWQTTLPSCB-MRXNPFEDSA-N 0 1 369.428 4.164 20 30 FIEDMN C[C@@H](NC(=O)CNC1(c2ccc(C#N)cc2)CCC1)c1ccccc1Cl ZINC000594032692 1115967824 /nfs/dbraw/zinc/96/78/24/1115967824.db2.gz LCXVIBSQVNRIME-OAHLLOKOSA-N 0 1 367.880 4.058 20 30 FIEDMN C=CCCCCCN(C)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000606902593 1115981294 /nfs/dbraw/zinc/98/12/94/1115981294.db2.gz BDYBIXMCDFNTQO-UHFFFAOYSA-N 0 1 366.889 4.118 20 30 FIEDMN COc1ccc(CNCc2ccc(Br)cc2Cl)cc1C#N ZINC000174310930 1116130217 /nfs/dbraw/zinc/13/02/17/1116130217.db2.gz PQHXMYWYFYQZJT-UHFFFAOYSA-N 0 1 365.658 4.273 20 30 FIEDMN CC(C)CN1Cc2cccc(NC(=O)[C@H](C)Cc3ccc(C#N)cc3)c2C1 ZINC000594326459 1116138175 /nfs/dbraw/zinc/13/81/75/1116138175.db2.gz YFOCUBJWIMGBQK-QGZVFWFLSA-N 0 1 361.489 4.347 20 30 FIEDMN N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000457380682 1116271226 /nfs/dbraw/zinc/27/12/26/1116271226.db2.gz UPPLUYJTYBZMPV-GOSISDBHSA-N 0 1 364.836 4.455 20 30 FIEDMN Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(C#N)c(O)c4)cc3)nc12 ZINC000442722858 1116284789 /nfs/dbraw/zinc/28/47/89/1116284789.db2.gz QLLPLVXBAIQYEK-UHFFFAOYSA-N 0 1 368.396 4.139 20 30 FIEDMN Cc1csc(Sc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2)n1 ZINC000442729594 1116292545 /nfs/dbraw/zinc/29/25/45/1116292545.db2.gz KNPMDHHZGJVWCC-UHFFFAOYSA-N 0 1 367.455 4.432 20 30 FIEDMN COc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1Cc1ccccc1 ZINC000442898878 1116329030 /nfs/dbraw/zinc/32/90/30/1116329030.db2.gz MCBOBJHCHNOZRY-UHFFFAOYSA-N 0 1 358.397 4.116 20 30 FIEDMN COc1ccc2nc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)ccc2c1 ZINC000539869400 1116394184 /nfs/dbraw/zinc/39/41/84/1116394184.db2.gz PKEPQFDOSMDJFC-CQSZACIVSA-N 0 1 371.318 4.147 20 30 FIEDMN COc1ccc2nc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)ccc2c1 ZINC000539869400 1116394186 /nfs/dbraw/zinc/39/41/86/1116394186.db2.gz PKEPQFDOSMDJFC-CQSZACIVSA-N 0 1 371.318 4.147 20 30 FIEDMN N#Cc1cc(F)c(C(=O)Nc2nc(Sc3ccccc3)ns2)c(F)c1 ZINC000152896755 1117752943 /nfs/dbraw/zinc/75/29/43/1117752943.db2.gz WIBNQRLBWZEDGQ-UHFFFAOYSA-N 0 1 374.397 4.091 20 30 FIEDMN Cc1oc(C#N)cc1-c1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1 ZINC000463183373 1118013691 /nfs/dbraw/zinc/01/36/91/1118013691.db2.gz PESOSXFULWTLOF-UHFFFAOYSA-N 0 1 374.385 4.177 20 30 FIEDMN Cc1ccnc(NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000541350215 1118483383 /nfs/dbraw/zinc/48/33/83/1118483383.db2.gz VNOXOBZDHRNXQV-KBXCAEBGSA-N 0 1 358.848 4.159 20 30 FIEDMN N#C[C@H](C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464420762 1118551154 /nfs/dbraw/zinc/55/11/54/1118551154.db2.gz ZGXPEBZLKUSCAT-ZDUSSCGKSA-N 0 1 374.297 4.120 20 30 FIEDMN N#CC(C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464420762 1118551159 /nfs/dbraw/zinc/55/11/59/1118551159.db2.gz ZGXPEBZLKUSCAT-ZDUSSCGKSA-N 0 1 374.297 4.120 20 30 FIEDMN Cc1cc([C@H](NCCOc2ccc(C#N)cc2)c2cccnc2)ccc1F ZINC000541565012 1118556568 /nfs/dbraw/zinc/55/65/68/1118556568.db2.gz JLYRGGQNNWRNHH-QFIPXVFZSA-N 0 1 361.420 4.159 20 30 FIEDMN O=C1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)c2ccccc2N1 ZINC000541565481 1118556833 /nfs/dbraw/zinc/55/68/33/1118556833.db2.gz BSSFLQMEITZSNM-QGZVFWFLSA-N 0 1 358.363 4.120 20 30 FIEDMN Cc1cc(Br)cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000464628739 1118629050 /nfs/dbraw/zinc/62/90/50/1118629050.db2.gz JNUMPXVAYLMGAX-CQSZACIVSA-N 0 1 368.234 4.432 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccn(Cc4ccccc4)c3)[nH]c21 ZINC000541945327 1118710820 /nfs/dbraw/zinc/71/08/20/1118710820.db2.gz PDHOFFHDHGSBTN-GOSISDBHSA-N 0 1 354.413 4.211 20 30 FIEDMN OC[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000541950735 1118717975 /nfs/dbraw/zinc/71/79/75/1118717975.db2.gz MSBBPZAJPJXWIF-QGZVFWFLSA-N 0 1 353.771 4.034 20 30 FIEDMN Cc1ccnc(N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1C#N ZINC000542210233 1118853471 /nfs/dbraw/zinc/85/34/71/1118853471.db2.gz VBGTVZRUVQHYQZ-UHFFFAOYSA-N 0 1 366.468 4.154 20 30 FIEDMN Cc1ccnc(N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000542280554 1118880375 /nfs/dbraw/zinc/88/03/75/1118880375.db2.gz QEXWVHCTAJVNPQ-RBUKOAKNSA-N 0 1 356.420 4.176 20 30 FIEDMN C=CCOc1ccc(CNCc2cc3ccccc3n(C)c2=O)cc1Cl ZINC000491472465 1118953406 /nfs/dbraw/zinc/95/34/06/1118953406.db2.gz UZGVFZCNMSEWFS-UHFFFAOYSA-N 0 1 368.864 4.047 20 30 FIEDMN CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271933296 1119006293 /nfs/dbraw/zinc/00/62/93/1119006293.db2.gz MDIIHRYIJSKTLY-CABCVRRESA-N 0 1 353.441 4.076 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCc1ccc(Cl)cc1 ZINC000492287438 1119064511 /nfs/dbraw/zinc/06/45/11/1119064511.db2.gz DOTXVWQPMJKYLT-KRWDZBQOSA-N 0 1 369.896 4.150 20 30 FIEDMN Cc1c(CSC(C)C)cccc1NS(=O)(=O)c1ccccc1C#N ZINC000460822836 1119064680 /nfs/dbraw/zinc/06/46/80/1119064680.db2.gz HSZMFUSFWNORTO-UHFFFAOYSA-N 0 1 360.504 4.309 20 30 FIEDMN CCS[C@@H]1CC[C@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000174880692 1119159075 /nfs/dbraw/zinc/15/90/75/1119159075.db2.gz JIORKONQPXSYCJ-DLBZAZTESA-N 0 1 369.534 4.344 20 30 FIEDMN Cc1cc(CN[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)ccc1C#N ZINC000443993983 1119174786 /nfs/dbraw/zinc/17/47/86/1119174786.db2.gz NWMFWKUQIRUYKS-QGZVFWFLSA-N 0 1 374.271 4.069 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)n1 ZINC000177772874 1119350276 /nfs/dbraw/zinc/35/02/76/1119350276.db2.gz BUSZRARJRTZJES-VBNZEHGJSA-N 0 1 367.474 4.351 20 30 FIEDMN C=CC[C@@H](C)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000494037224 1119529107 /nfs/dbraw/zinc/52/91/07/1119529107.db2.gz GLUIOCYLHAYUSS-YJYMSZOUSA-N 0 1 365.445 4.012 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2ccccn2)c2cc(Br)ccc2n1 ZINC000182710481 1119545098 /nfs/dbraw/zinc/54/50/98/1119545098.db2.gz RQAMVMOWYNZZIQ-OAHLLOKOSA-N 0 1 366.218 4.191 20 30 FIEDMN C=C[C@@H]1CCCCN1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000494215229 1119555888 /nfs/dbraw/zinc/55/58/88/1119555888.db2.gz HBSBRZFONQERIC-LJQANCHMSA-N 0 1 361.917 4.055 20 30 FIEDMN Cc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)[nH]c1-c1ccccc1 ZINC000187129244 1119768428 /nfs/dbraw/zinc/76/84/28/1119768428.db2.gz BWJPDSJOOJFQMF-UHFFFAOYSA-N 0 1 368.506 4.162 20 30 FIEDMN Cc1nc(SCC(=O)N(CC#N)c2ccccc2)[nH]c1-c1ccccc1 ZINC000187155986 1119770367 /nfs/dbraw/zinc/77/03/67/1119770367.db2.gz KZCAJOQXYIDPIH-UHFFFAOYSA-N 0 1 362.458 4.034 20 30 FIEDMN C/C(=C\c1ccccc1)CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000494267793 1119816846 /nfs/dbraw/zinc/81/68/46/1119816846.db2.gz JQDGALCJNIPPOL-LFNFIXQYSA-N 0 1 361.489 4.357 20 30 FIEDMN C/C(=C/c1ccccc1)CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000494267792 1119817180 /nfs/dbraw/zinc/81/71/80/1119817180.db2.gz JQDGALCJNIPPOL-BZYWECANSA-N 0 1 361.489 4.357 20 30 FIEDMN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccc(Oc3ccccc3)o2)c1 ZINC000176530297 1119894123 /nfs/dbraw/zinc/89/41/23/1119894123.db2.gz NOUUWOHEZIHOHF-QGZVFWFLSA-N 0 1 360.369 4.342 20 30 FIEDMN C=C(C)COc1cc(CNCc2ccnc(SCC)c2)ccc1OC ZINC000189600653 1119908317 /nfs/dbraw/zinc/90/83/17/1119908317.db2.gz YXNISCPQRJIGKA-UHFFFAOYSA-N 0 1 358.507 4.447 20 30 FIEDMN Cc1ccc(C(=O)C=CC(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC001168469294 1120217220 /nfs/dbraw/zinc/21/72/20/1120217220.db2.gz KXYPNJKABFOUFR-LXKVQUBZSA-N 0 1 367.836 4.141 20 30 FIEDMN C=CCOc1ccccc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000194863914 1120313267 /nfs/dbraw/zinc/31/32/67/1120313267.db2.gz QLALILDESLUEIM-LJQANCHMSA-N 0 1 363.417 4.232 20 30 FIEDMN C=CCC[C@@H](C(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccccc1 ZINC000494907627 1120371235 /nfs/dbraw/zinc/37/12/35/1120371235.db2.gz ZXOFRBOCKKXNMU-NHCUHLMSSA-N 0 1 354.469 4.295 20 30 FIEDMN CC(N=Nc1ccccc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000914695289 1120474093 /nfs/dbraw/zinc/47/40/93/1120474093.db2.gz NVWUXUYSTWDGFZ-UHFFFAOYSA-N 0 1 360.454 4.378 20 30 FIEDMN Fc1ccc2nc(C=NNc3ccc(Br)cn3)sc2c1 ZINC000761808738 1120475398 /nfs/dbraw/zinc/47/53/98/1120475398.db2.gz YBNAUZTVGGIQOZ-UHFFFAOYSA-N 0 1 351.204 4.039 20 30 FIEDMN CCCCCCCC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000914870223 1120608274 /nfs/dbraw/zinc/60/82/74/1120608274.db2.gz VTJVKPUMLPQWQJ-RTBURBONSA-N 0 1 360.542 4.273 20 30 FIEDMN C#CCOc1ccccc1-c1noc(-c2ccc3[nH]c(C(F)F)nc3c2)n1 ZINC000761990329 1120635623 /nfs/dbraw/zinc/63/56/23/1120635623.db2.gz UGSWVUVQZIGKAN-UHFFFAOYSA-N 0 1 366.327 4.230 20 30 FIEDMN C=C(C)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000303581237 1120774973 /nfs/dbraw/zinc/77/49/73/1120774973.db2.gz OYLOTAAYDXFDLY-NRFANRHFSA-N 0 1 354.519 4.120 20 30 FIEDMN CCOC(=O)N[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)CC(C)C ZINC000915112901 1120819581 /nfs/dbraw/zinc/81/95/81/1120819581.db2.gz JTAOMEQRYXOHKZ-UJHWAJGWSA-N 0 1 361.269 4.279 20 30 FIEDMN COc1ccc(O)c(/C=N/C[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000915113251 1120820163 /nfs/dbraw/zinc/82/01/63/1120820163.db2.gz SIJCIZNALAGKAL-PPRFWAEMSA-N 0 1 358.869 4.310 20 30 FIEDMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000915216260 1120872610 /nfs/dbraw/zinc/87/26/10/1120872610.db2.gz VONQESDKJNTPOB-KSSFIOAISA-N 0 1 374.419 4.056 20 30 FIEDMN C[C@@H](C/N=C\c1c(O)ccc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000915271436 1120904661 /nfs/dbraw/zinc/90/46/61/1120904661.db2.gz VCRFZQOEMWBIFB-ZVSYKFGMSA-N 0 1 373.500 4.175 20 30 FIEDMN CSc1nccn1-c1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000193538033 1120946869 /nfs/dbraw/zinc/94/68/69/1120946869.db2.gz ODVPCLYUDIYGPC-HNNXBMFYSA-N 0 1 374.425 4.225 20 30 FIEDMN COc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)cc(Cl)c1OC ZINC000193613521 1120982182 /nfs/dbraw/zinc/98/21/82/1120982182.db2.gz WGWJHQHJYOCVCB-UHFFFAOYSA-N 0 1 356.853 4.393 20 30 FIEDMN COc1cc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)cc([N+](=O)[O-])c1O ZINC000763288714 1121318039 /nfs/dbraw/zinc/31/80/39/1121318039.db2.gz IQGJNLBYMWUKAU-LIOBOASVSA-N 0 1 351.358 4.009 20 30 FIEDMN CCCCCCN(O)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC001649051574 1121338945 /nfs/dbraw/zinc/33/89/45/1121338945.db2.gz BORPEMZHYWPMNC-UHFFFAOYSA-N 0 1 366.259 4.251 20 30 FIEDMN CCCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OC ZINC000915917916 1121348499 /nfs/dbraw/zinc/34/84/99/1121348499.db2.gz URODIHVMUKHPQZ-UHFFFAOYSA-N 0 1 353.344 4.344 20 30 FIEDMN O=[N+]([O-])c1ccc(N=NC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000915933020 1121354080 /nfs/dbraw/zinc/35/40/80/1121354080.db2.gz ISTSINDSSGDQGY-UHFFFAOYSA-N 0 1 358.829 4.312 20 30 FIEDMN COc1cc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1O ZINC000915975692 1121359621 /nfs/dbraw/zinc/35/96/21/1121359621.db2.gz ASWWRVSUCDYMRC-UHFFFAOYSA-N 0 1 356.165 4.062 20 30 FIEDMN COc1cc(CN=Nc2cc(C)c3ccc(C)c(C)c3n2)cc(O)c1O ZINC000916543904 1121538472 /nfs/dbraw/zinc/53/84/72/1121538472.db2.gz YHHFPSLIFCRXBO-UHFFFAOYSA-N 0 1 351.406 4.026 20 30 FIEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)Sc1ccccc1Cl ZINC000916875177 1121905723 /nfs/dbraw/zinc/90/57/23/1121905723.db2.gz VFPYGZRZYKAVBH-KBPBESRZSA-N 0 1 366.914 4.226 20 30 FIEDMN CC(C)(C)c1ccc(SCC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916895215 1121923873 /nfs/dbraw/zinc/92/38/73/1121923873.db2.gz GYRUVUITGXFQLC-SFHVURJKSA-N 0 1 372.534 4.234 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(C)=O)s2)cc1 ZINC000916956370 1121968414 /nfs/dbraw/zinc/96/84/14/1121968414.db2.gz ZUZKTFONRZXNIT-BLLLJJGKSA-N 0 1 368.458 4.425 20 30 FIEDMN N#Cc1ccccc1OCC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000917045332 1122014797 /nfs/dbraw/zinc/01/47/97/1122014797.db2.gz XYNWMBINBMMMSM-ZDUSSCGKSA-N 0 1 367.817 4.077 20 30 FIEDMN COc1ccc(CN2CCC(C(F)(F)F)CC2)cc1OCCCC#N ZINC000127200474 1122062935 /nfs/dbraw/zinc/06/29/35/1122062935.db2.gz DILSRAFDNMNQTN-UHFFFAOYSA-N 0 1 356.388 4.152 20 30 FIEDMN COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544946 1122072173 /nfs/dbraw/zinc/07/21/73/1122072173.db2.gz HDQBAIGTQWKRSW-KRWDZBQOSA-N 0 1 359.410 4.180 20 30 FIEDMN COc1cccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544946 1122072180 /nfs/dbraw/zinc/07/21/80/1122072180.db2.gz HDQBAIGTQWKRSW-KRWDZBQOSA-N 0 1 359.410 4.180 20 30 FIEDMN N#C[C@@H](C(=O)c1ccc2c(c1)CCCC2=O)c1nc(-c2ccncc2)cs1 ZINC000497367857 1122166505 /nfs/dbraw/zinc/16/65/05/1122166505.db2.gz UTZLQLQYYVWWLU-KRWDZBQOSA-N 0 1 373.437 4.214 20 30 FIEDMN N#CC(C(=O)c1ccc2c(c1)CCCC2=O)c1nc(-c2ccncc2)cs1 ZINC000497367857 1122166507 /nfs/dbraw/zinc/16/65/07/1122166507.db2.gz UTZLQLQYYVWWLU-KRWDZBQOSA-N 0 1 373.437 4.214 20 30 FIEDMN COc1ccc([C@H]2C[C@H](N(CCC#N)Cc3ccccc3)CCO2)cc1 ZINC001168632327 1122227040 /nfs/dbraw/zinc/22/70/40/1122227040.db2.gz ZQISFJOTFJWFJZ-IFMALSPDSA-N 0 1 350.462 4.331 20 30 FIEDMN C=CCC(CC=C)C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000128312859 1122235284 /nfs/dbraw/zinc/23/52/84/1122235284.db2.gz LDRSXXLOQLGDCB-UHFFFAOYSA-N 0 1 370.474 4.194 20 30 FIEDMN CC(C)Oc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000056156992 1122296320 /nfs/dbraw/zinc/29/63/20/1122296320.db2.gz ZVQBPOLVNZTEIP-HOTGVXAUSA-N 0 1 351.450 4.023 20 30 FIEDMN N#Cc1ccc2ncc(CN[C@@H]3CCc4c3ccc(Cl)c4Cl)n2c1 ZINC000556582193 1122985709 /nfs/dbraw/zinc/98/57/09/1122985709.db2.gz HQKZIMKFZGTBSR-MRXNPFEDSA-N 0 1 357.244 4.290 20 30 FIEDMN CCOc1cccc2cc([C@@H](C)NCc3cnc4ccc(C#N)cn34)oc21 ZINC000556596013 1122990848 /nfs/dbraw/zinc/99/08/48/1122990848.db2.gz KSOLKWDICLHJLL-CQSZACIVSA-N 0 1 360.417 4.202 20 30 FIEDMN Cc1cc(C2CCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)n[nH]1 ZINC000556704747 1123047876 /nfs/dbraw/zinc/04/78/76/1123047876.db2.gz APOFKIKAQIHBGN-UHFFFAOYSA-N 0 1 364.474 4.133 20 30 FIEDMN Cc1ccc2c(CN(Cc3ccc(C#N)cc3)C3CC3)cc(=O)oc2c1C ZINC000194965633 1123057416 /nfs/dbraw/zinc/05/74/16/1123057416.db2.gz QOTWUIROESKULF-UHFFFAOYSA-N 0 1 358.441 4.446 20 30 FIEDMN CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000919958996 1123285344 /nfs/dbraw/zinc/28/53/44/1123285344.db2.gz AAPVGQGZAIDFNT-UHFFFAOYSA-N 0 1 368.458 4.074 20 30 FIEDMN CCOC(=O)[C@H](Cc1ccccc1)/N=C\c1cc(Cl)cc(Cl)c1O ZINC000920174044 1123403291 /nfs/dbraw/zinc/40/32/91/1123403291.db2.gz JDJDYQOYVRKTIJ-SJJOQSKNSA-N 0 1 366.244 4.292 20 30 FIEDMN C=CCCOCC(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000920792738 1123519914 /nfs/dbraw/zinc/51/99/14/1123519914.db2.gz YTRJRAGCOWXISK-JRQWYPPZSA-N 0 1 370.518 4.380 20 30 FIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000920877718 1123533177 /nfs/dbraw/zinc/53/31/77/1123533177.db2.gz NEVQYLPKWDZQEP-INIZCTEOSA-N 0 1 363.392 4.064 20 30 FIEDMN COc1ccc(O)c(/C=N\C[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000920945263 1123540412 /nfs/dbraw/zinc/54/04/12/1123540412.db2.gz UEUHOCLIMROLHE-CVHFWEDTSA-N 0 1 358.869 4.310 20 30 FIEDMN CC[C@H](C)[C@H](C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1)c1ccccc1 ZINC000921254119 1123596089 /nfs/dbraw/zinc/59/60/89/1123596089.db2.gz YCBANPJLYJUEFA-OWQGQXMQSA-N 0 1 370.474 4.001 20 30 FIEDMN CC[C@H](C)[C@H](C(=O)OCC(=O)C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000921254119 1123596091 /nfs/dbraw/zinc/59/60/91/1123596091.db2.gz YCBANPJLYJUEFA-OWQGQXMQSA-N 0 1 370.474 4.001 20 30 FIEDMN COc1ccc(CN[C@H](C)c2cnn(C(C)C)c2)cc1OCCCC#N ZINC000609571553 1123753201 /nfs/dbraw/zinc/75/32/01/1123753201.db2.gz QXGBMVVMCSIMQZ-MRXNPFEDSA-N 0 1 356.470 4.006 20 30 FIEDMN CCCC[C@@H](CC)CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000609761473 1123834084 /nfs/dbraw/zinc/83/40/84/1123834084.db2.gz MCIQNQYKUHMXHM-LJQANCHMSA-N 0 1 355.526 4.199 20 30 FIEDMN N#CC(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000609959467 1123897472 /nfs/dbraw/zinc/89/74/72/1123897472.db2.gz YOGAVLQQPILDDB-GFCCVEGCSA-N 0 1 357.778 4.348 20 30 FIEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2OC[C@H]2CCCO2)n1 ZINC000080449696 1123965811 /nfs/dbraw/zinc/96/58/11/1123965811.db2.gz BYCVIGRDPMZKGX-ZBFHGGJFSA-N 0 1 370.474 4.314 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccccc2OC[C@H]2CCCO2)n1 ZINC000080449696 1123965812 /nfs/dbraw/zinc/96/58/12/1123965812.db2.gz BYCVIGRDPMZKGX-ZBFHGGJFSA-N 0 1 370.474 4.314 20 30 FIEDMN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000067895698 1123983389 /nfs/dbraw/zinc/98/33/89/1123983389.db2.gz CRLNIUMAEBNZKI-VIFPVBQESA-N 0 1 369.229 4.117 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000067895698 1123983390 /nfs/dbraw/zinc/98/33/90/1123983390.db2.gz CRLNIUMAEBNZKI-VIFPVBQESA-N 0 1 369.229 4.117 20 30 FIEDMN N#CCCCOc1cccc(CNCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000237696093 1124025934 /nfs/dbraw/zinc/02/59/34/1124025934.db2.gz MZVFVVZAGKXPJQ-UHFFFAOYSA-N 0 1 372.852 4.084 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)c1 ZINC000179735822 1124046426 /nfs/dbraw/zinc/04/64/26/1124046426.db2.gz HMKDVLMLEZHISS-UHFFFAOYSA-N 0 1 366.380 4.126 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nn1-c1cc(C)cc(C)c1 ZINC000179830474 1124112658 /nfs/dbraw/zinc/11/26/58/1124112658.db2.gz JIBGNRXBDFTZLK-KRWDZBQOSA-N 0 1 369.428 4.164 20 30 FIEDMN C[C@@H](OCC1CC1)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000068336590 1124180687 /nfs/dbraw/zinc/18/06/87/1124180687.db2.gz ZQSIDRLTVARXEH-ABAIWWIYSA-N 0 1 360.866 4.455 20 30 FIEDMN C[C@H]1CN(Cc2ccc(CNc3c(F)cc(C#N)cc3F)cc2)C[C@H](C)O1 ZINC000301107151 1124192703 /nfs/dbraw/zinc/19/27/03/1124192703.db2.gz QAMXRKNGYFJPSY-GJZGRUSLSA-N 0 1 371.431 4.058 20 30 FIEDMN CC(=O)c1ccc(C#N)c(NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000302108225 1124284119 /nfs/dbraw/zinc/28/41/19/1124284119.db2.gz OKMQZRYNVAFJAC-YLJYHZDGSA-N 0 1 353.491 4.317 20 30 FIEDMN CCc1nnc(N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c(C#N)c1CC ZINC000302114199 1124285195 /nfs/dbraw/zinc/28/51/95/1124285195.db2.gz BWNJRMNOJHGRKM-HNNXBMFYSA-N 0 1 374.492 4.042 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4ccc(Cl)c(C#N)n4)C3)[nH]c2c1 ZINC000302149384 1124287315 /nfs/dbraw/zinc/28/73/15/1124287315.db2.gz SRFDDPSEBVLCNB-CYBMUJFWSA-N 0 1 351.841 4.175 20 30 FIEDMN CCc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109405666 1124564499 /nfs/dbraw/zinc/56/44/99/1124564499.db2.gz CJVIIUIGIZEZHI-GOSISDBHSA-N 0 1 363.505 4.208 20 30 FIEDMN CCSc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)cn1 ZINC000069383573 1124845730 /nfs/dbraw/zinc/84/57/30/1124845730.db2.gz UTPBUZHJTSVKQO-UHFFFAOYSA-N 0 1 359.842 4.268 20 30 FIEDMN N#Cc1ccccc1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000007695743 1124920841 /nfs/dbraw/zinc/92/08/41/1124920841.db2.gz DQACQCWHUIMOJY-UHFFFAOYSA-N 0 1 371.263 4.398 20 30 FIEDMN CC(C)(C)OC(=O)N1Cc2ccc(CNCc3csc(C#N)c3)cc2C1 ZINC000922035863 1125237353 /nfs/dbraw/zinc/23/73/53/1125237353.db2.gz DEUQXAGQNXOKHZ-UHFFFAOYSA-N 0 1 369.490 4.160 20 30 FIEDMN CC(C)Sc1ccc([C@@H](C)NCC(=O)Nc2sccc2C#N)cc1 ZINC000182105015 1125249176 /nfs/dbraw/zinc/24/91/76/1125249176.db2.gz AIAVTOHMTSFTIK-CYBMUJFWSA-N 0 1 359.520 4.410 20 30 FIEDMN C[C@H](CC1(C#N)CCOCC1)NCc1ccncc1OCCC(C)(C)C ZINC000602662682 568012639 /nfs/dbraw/zinc/01/26/39/568012639.db2.gz QQKGMSGQRSSRKY-QGZVFWFLSA-N 0 1 359.514 4.085 20 30 FIEDMN Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000541859459 568018846 /nfs/dbraw/zinc/01/88/46/568018846.db2.gz GIUIYDVROBMIJQ-UHFFFAOYSA-N 0 1 364.854 4.108 20 30 FIEDMN C=CCC[C@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000602807162 568048719 /nfs/dbraw/zinc/04/87/19/568048719.db2.gz VUFDJUBCJMYIKU-HNNXBMFYSA-N 0 1 368.359 4.144 20 30 FIEDMN COC(=O)c1ccc(-c2ccc(CN(C)Cc3cccc(C#N)c3)o2)cc1 ZINC000481923836 568186409 /nfs/dbraw/zinc/18/64/09/568186409.db2.gz OCAWAYLZICTQDA-UHFFFAOYSA-N 0 1 360.413 4.237 20 30 FIEDMN CCCCc1ccc(C(=O)C(C#N)c2nc(C(=O)OCC)cs2)cc1 ZINC000604433385 568286777 /nfs/dbraw/zinc/28/67/77/568286777.db2.gz QHIXAWOZQOGQMD-HNNXBMFYSA-N 0 1 356.447 4.152 20 30 FIEDMN CCCCc1ccc(C(=O)[C@H](C#N)c2nc(C(=O)OCC)cs2)cc1 ZINC000604433385 568286778 /nfs/dbraw/zinc/28/67/78/568286778.db2.gz QHIXAWOZQOGQMD-HNNXBMFYSA-N 0 1 356.447 4.152 20 30 FIEDMN Cc1cnn(-c2ccncc2NCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000569536353 568406491 /nfs/dbraw/zinc/40/64/91/568406491.db2.gz IEHPLKDIWPSUST-UHFFFAOYSA-N 0 1 357.339 4.078 20 30 FIEDMN N#CCCn1cc(CN2CCS[C@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 ZINC000093689928 1125492660 /nfs/dbraw/zinc/49/26/60/1125492660.db2.gz DBONWEVCINNUPC-PMACEKPBSA-N 0 1 366.534 4.324 20 30 FIEDMN Cc1cc([C@H]2CCCN(c3c(C#N)cnc4c(Cl)cc(C)cc43)C2)[nH]n1 ZINC000619792945 1125707648 /nfs/dbraw/zinc/70/76/48/1125707648.db2.gz XNKSCPBEUKLWDS-AWEZNQCLSA-N 0 1 365.868 4.484 20 30 FIEDMN C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc2O1 ZINC000430144270 1079596270 /nfs/dbraw/zinc/59/62/70/1079596270.db2.gz CBRJVPNEBGXYPX-SFHVURJKSA-N 0 1 372.472 4.247 20 30 FIEDMN Brc1ccc(N=NC(C[C@@H]2CCOC2)c2ccccc2)cn1 ZINC000753921231 1079791505 /nfs/dbraw/zinc/79/15/05/1079791505.db2.gz DFPSSWBEVAGGLI-ZDUSSCGKSA-N 0 1 360.255 4.087 20 30 FIEDMN CCn1c2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)ccc2[nH]c1=O ZINC000654991935 1079823091 /nfs/dbraw/zinc/82/30/91/1079823091.db2.gz QJEHCHGEGSEMPT-LBPRGKRZSA-N 0 1 368.462 4.006 20 30 FIEDMN Cc1ccc2nc(S[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)[nH]c2c1 ZINC000022734596 1080019148 /nfs/dbraw/zinc/01/91/48/1080019148.db2.gz WVUUFVLWZIJZGX-KLSXAPCHSA-N 0 1 370.522 4.283 20 30 FIEDMN C=CCSCCN[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000180221102 1080467279 /nfs/dbraw/zinc/46/72/79/1080467279.db2.gz ICXIZSFDDBRROT-HXUWFJFHSA-N 0 1 370.518 4.192 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cnn(C(C)C)c2-c2ccccc2)n1 ZINC000579905876 1080943620 /nfs/dbraw/zinc/94/36/20/1080943620.db2.gz QVJVJYURZNDIKG-HNNXBMFYSA-N 0 1 350.447 4.386 20 30 FIEDMN C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000608860127 1081117348 /nfs/dbraw/zinc/11/73/48/1081117348.db2.gz AUDOGJOTSYHJIP-QHCPKHFHSA-N 0 1 372.468 4.097 20 30 FIEDMN N#CCCCOc1cccc(CNCc2csc(Br)c2)c1 ZINC000608860231 1081118444 /nfs/dbraw/zinc/11/84/44/1081118444.db2.gz HHGRPHTUQTXWRU-UHFFFAOYSA-N 0 1 365.296 4.483 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000560093667 1081254617 /nfs/dbraw/zinc/25/46/17/1081254617.db2.gz OEUOZLUWZAFKGG-UHFFFAOYSA-N 0 1 360.442 4.196 20 30 FIEDMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610346577 1081504383 /nfs/dbraw/zinc/50/43/83/1081504383.db2.gz XOGJJEKYYMBRMY-KBPBESRZSA-N 0 1 371.868 4.207 20 30 FIEDMN CC(C)(C)CCCCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000561031840 1081777149 /nfs/dbraw/zinc/77/71/49/1081777149.db2.gz IEZLZSUEIORGRW-UHFFFAOYSA-N 0 1 355.526 4.199 20 30 FIEDMN C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)Cc1cc(C#N)ccn1 ZINC001167377185 1081817863 /nfs/dbraw/zinc/81/78/63/1081817863.db2.gz OLHMKHKQICNLGR-UHFFFAOYSA-N 0 1 373.456 4.043 20 30 FIEDMN CN(CCOc1ccc(OCc2ccccc2)cc1)Cc1cc(C#N)ccn1 ZINC001167377185 1081817870 /nfs/dbraw/zinc/81/78/70/1081817870.db2.gz OLHMKHKQICNLGR-UHFFFAOYSA-N 0 1 373.456 4.043 20 30 FIEDMN C[C@@H](NCC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1ccc(C#N)cc1 ZINC000580661156 1082069337 /nfs/dbraw/zinc/06/93/37/1082069337.db2.gz GOWAASGWCCGLCH-HZPDHXFCSA-N 0 1 361.445 4.175 20 30 FIEDMN COc1ccc(CN[C@H](C)c2cc(F)ccc2OC)cc1OCCCC#N ZINC000064614131 1082301792 /nfs/dbraw/zinc/30/17/92/1082301792.db2.gz MDZOQYOSXHTYGP-OAHLLOKOSA-N 0 1 372.440 4.376 20 30 FIEDMN N#Cc1cc(NC2CCN(Cc3ccccn3)CC2)ccc1C(F)(F)F ZINC000165798376 1082601204 /nfs/dbraw/zinc/60/12/04/1082601204.db2.gz IBEGKBZENQCTHQ-UHFFFAOYSA-N 0 1 360.383 4.049 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)s1 ZINC000430652046 1082851031 /nfs/dbraw/zinc/85/10/31/1082851031.db2.gz WUQZKONINKHVEP-GFCCVEGCSA-N 0 1 368.418 4.320 20 30 FIEDMN C=C1CCC(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001266811739 1082855298 /nfs/dbraw/zinc/85/52/98/1082855298.db2.gz AJUPPTZHPDPRQU-QFBILLFUSA-N 0 1 364.892 4.335 20 30 FIEDMN N#CC(C(=O)NCc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000155745673 1082867848 /nfs/dbraw/zinc/86/78/48/1082867848.db2.gz ARDLQCXOZIXQKV-ZDUSSCGKSA-N 0 1 369.396 4.012 20 30 FIEDMN CCN(C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000178160161 1082917135 /nfs/dbraw/zinc/91/71/35/1082917135.db2.gz CAOMLZJLMFFKII-OAHLLOKOSA-N 0 1 374.444 4.180 20 30 FIEDMN C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000635724831 1083458486 /nfs/dbraw/zinc/45/84/86/1083458486.db2.gz HXZYKYRGBVWHPP-OAGGEKHMSA-N 0 1 363.383 4.356 20 30 FIEDMN Cc1cc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc(OC(F)(F)F)c1 ZINC001143462224 1083600393 /nfs/dbraw/zinc/60/03/93/1083600393.db2.gz DFQXPGCOYCEJCC-DGCLKSJQSA-N 0 1 359.285 4.473 20 30 FIEDMN N#Cc1ccc(SCC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000179860464 1083735557 /nfs/dbraw/zinc/73/55/57/1083735557.db2.gz OKADVKPUFDSWGY-UHFFFAOYSA-N 0 1 358.373 4.103 20 30 FIEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-n2cncn2)cc1Cl ZINC000610830344 1083744576 /nfs/dbraw/zinc/74/45/76/1083744576.db2.gz NJLPJXLSCKCLSL-UONOGXRCSA-N 0 1 351.841 4.204 20 30 FIEDMN Cc1ccc(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000610889321 1083787877 /nfs/dbraw/zinc/78/78/77/1083787877.db2.gz FLQFATKHTGOQET-UHFFFAOYSA-N 0 1 368.484 4.173 20 30 FIEDMN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000892496937 1083805017 /nfs/dbraw/zinc/80/50/17/1083805017.db2.gz SUDPEHYGHVDIPK-WCFLWFBJSA-N 0 1 351.233 4.077 20 30 FIEDMN C#CCCOc1ccc(CNCc2cc3c(cc2OCC)C[C@@H](C)O3)cc1 ZINC000236845180 1083996796 /nfs/dbraw/zinc/99/67/96/1083996796.db2.gz FJUYQZJUETUWIK-QGZVFWFLSA-N 0 1 365.473 4.101 20 30 FIEDMN COc1ccc(Br)cc1/C=C\C(=O)c1ccc(O)c(F)c1 ZINC000728438138 1084144234 /nfs/dbraw/zinc/14/42/34/1084144234.db2.gz AZAXAWWSFZKIJK-HYXAFXHYSA-N 0 1 351.171 4.199 20 30 FIEDMN C=CCC(F)(F)C(=O)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1 ZINC001625873731 1084256959 /nfs/dbraw/zinc/25/69/59/1084256959.db2.gz NTACDDJAHFOLJI-UHFFFAOYSA-N 0 1 362.342 4.451 20 30 FIEDMN N#Cc1ccc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000580265926 1084401263 /nfs/dbraw/zinc/40/12/63/1084401263.db2.gz QIOZNGTZIIGRSG-MRXNPFEDSA-N 0 1 367.796 4.338 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C#N ZINC000066391253 1084430530 /nfs/dbraw/zinc/43/05/30/1084430530.db2.gz ABDQMFIILDRZKC-QWHCGFSZSA-N 0 1 361.367 4.255 20 30 FIEDMN Cc1cccc2c1ncc(C#N)c2N1CCN([C@H](C)c2ccsc2)CC1 ZINC000613185796 1084436451 /nfs/dbraw/zinc/43/64/51/1084436451.db2.gz QUZDXKRXOLSDPH-MRXNPFEDSA-N 0 1 362.502 4.360 20 30 FIEDMN N#CC(C(=O)C[C@H]1CCC2(CCC2)O1)c1nc2ccccc2n1C(F)F ZINC000892539107 1084615923 /nfs/dbraw/zinc/61/59/23/1084615923.db2.gz UDRVOBQYZNPSTR-CHWSQXEVSA-N 0 1 359.376 4.099 20 30 FIEDMN Cc1cc(C#N)cnc1C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000551915750 1084743796 /nfs/dbraw/zinc/74/37/96/1084743796.db2.gz AGRFBXAMBFYJBT-UHFFFAOYSA-N 0 1 371.375 4.196 20 30 FIEDMN CCC(CC)CN(CCC#N)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC001167558155 1084797598 /nfs/dbraw/zinc/79/75/98/1084797598.db2.gz HUXHMFBMXCVVRW-OAQYLSRUSA-N 0 1 355.526 4.222 20 30 FIEDMN C[C@@H](c1cccc(C#N)c1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000187731397 1084843198 /nfs/dbraw/zinc/84/31/98/1084843198.db2.gz PYGUZYJGFWYTBH-INIZCTEOSA-N 0 1 367.880 4.121 20 30 FIEDMN COc1cc(C#N)ccc1CN(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511111172 1084945079 /nfs/dbraw/zinc/94/50/79/1084945079.db2.gz TYOGMDVCQVCRQT-UHFFFAOYSA-N 0 1 364.367 4.140 20 30 FIEDMN N#CC(C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 ZINC000051654595 1084963950 /nfs/dbraw/zinc/96/39/50/1084963950.db2.gz PTRZTZUYCWQYRA-CQSZACIVSA-N 0 1 367.276 4.084 20 30 FIEDMN C#CCOc1ccccc1CNCc1cc(Cl)c(OCC)c(OC)c1 ZINC000048775960 1084986382 /nfs/dbraw/zinc/98/63/82/1084986382.db2.gz GKEMWYHPBZITDM-UHFFFAOYSA-N 0 1 359.853 4.049 20 30 FIEDMN CCOc1cccc2cc([C@H](C)NCC(=O)Nc3sccc3C#N)oc21 ZINC000180362314 1085070167 /nfs/dbraw/zinc/07/01/67/1085070167.db2.gz OQILCPZWKSLBPH-LBPRGKRZSA-N 0 1 369.446 4.054 20 30 FIEDMN Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccn1C ZINC000684948575 1085286606 /nfs/dbraw/zinc/28/66/06/1085286606.db2.gz XXAYBPITMCVTIM-GFCCVEGCSA-N 0 1 363.364 4.452 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccn1C ZINC000684948575 1085286618 /nfs/dbraw/zinc/28/66/18/1085286618.db2.gz XXAYBPITMCVTIM-GFCCVEGCSA-N 0 1 363.364 4.452 20 30 FIEDMN Cc1ccc2nc(-c3cccnc3)cc(C(=O)C(C#N)c3ccccn3)c2c1 ZINC000136539811 1085299385 /nfs/dbraw/zinc/29/93/85/1085299385.db2.gz APAZECSSWLWRFT-IBGZPJMESA-N 0 1 364.408 4.490 20 30 FIEDMN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)C1CCCCCC1 ZINC000102119620 1085645010 /nfs/dbraw/zinc/64/50/10/1085645010.db2.gz NNBZMFXVMRQCQR-AWEZNQCLSA-N 0 1 362.857 4.275 20 30 FIEDMN COC1CCC(CC(=O)C(C#N)C(=O)Nc2cccc3ccccc32)CC1 ZINC000136619171 1085648169 /nfs/dbraw/zinc/64/81/69/1085648169.db2.gz ZYEVQHRQCZRTKN-GXOAENINSA-N 0 1 364.445 4.082 20 30 FIEDMN CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CC[C@H]1c1ccccc1 ZINC000472256839 1085691544 /nfs/dbraw/zinc/69/15/44/1085691544.db2.gz KMRIIDGFXGBKAW-WAOWUJCRSA-N 0 1 361.489 4.401 20 30 FIEDMN Cc1sc(NC(=O)CN[C@@H](C)c2ccc(C3CC3)cc2)c(C#N)c1C ZINC000582775763 1085708572 /nfs/dbraw/zinc/70/85/72/1085708572.db2.gz FNTFUOSRSPJMPG-ZDUSSCGKSA-N 0 1 353.491 4.403 20 30 FIEDMN Cc1c([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cnn1C ZINC000066905280 1085763565 /nfs/dbraw/zinc/76/35/65/1085763565.db2.gz DLVSERLJUNNOPL-MRXNPFEDSA-N 0 1 360.461 4.030 20 30 FIEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1cc(Br)cs1 ZINC000782367958 1085783352 /nfs/dbraw/zinc/78/33/52/1085783352.db2.gz BACDMBMRTIGNSY-RJRFIUFISA-N 0 1 354.181 4.021 20 30 FIEDMN Cc1nc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)s1 ZINC000178707153 1085922194 /nfs/dbraw/zinc/92/21/94/1085922194.db2.gz HGJKEQKYAROJOJ-SNVBAGLBSA-N 0 1 368.245 4.028 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000662086815 1086112673 /nfs/dbraw/zinc/11/26/73/1086112673.db2.gz ZDKMYGPJSZVYEU-BETUJISGSA-N 0 1 358.791 4.480 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnccc2C(F)(F)F)s1 ZINC000566453899 1086225981 /nfs/dbraw/zinc/22/59/81/1086225981.db2.gz YQCDBNSUACIXGS-SECBINFHSA-N 0 1 353.369 4.344 20 30 FIEDMN CC[C@](C)(OC)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000796669500 1086241989 /nfs/dbraw/zinc/24/19/89/1086241989.db2.gz GIAYZMVZEHZCAH-QGHHPUGFSA-N 0 1 350.390 4.080 20 30 FIEDMN N#CCCn1cc(C(=O)CN2CC3CC2(c2ccccc2)C3)c2ccccc21 ZINC000662335022 1086416930 /nfs/dbraw/zinc/41/69/30/1086416930.db2.gz YATMJRDXYQFOMW-UHFFFAOYSA-N 0 1 369.468 4.359 20 30 FIEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000663517163 1086623497 /nfs/dbraw/zinc/62/34/97/1086623497.db2.gz WFMRVDUVJCKIIT-BGYRXZFFSA-N 0 1 373.928 4.197 20 30 FIEDMN CC[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1OC(F)F ZINC000585766922 1086693996 /nfs/dbraw/zinc/69/39/96/1086693996.db2.gz FHYHVKDODRQASV-MRXNPFEDSA-N 0 1 356.376 4.048 20 30 FIEDMN C=CCC1(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CCCCC1 ZINC000458564376 1086747955 /nfs/dbraw/zinc/74/79/55/1086747955.db2.gz GVPWJSVWMTXYSH-SFHVURJKSA-N 0 1 370.541 4.185 20 30 FIEDMN Cc1ccc2c(c1C)OC[C@H]2NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000536147751 1086997128 /nfs/dbraw/zinc/99/71/28/1086997128.db2.gz ZOPTZCMUABDHJP-OAQYLSRUSA-N 0 1 372.472 4.304 20 30 FIEDMN COc1cc(CNCc2ccc(N(C)c3ccccc3)nc2)ccc1C#N ZINC000583964042 1087068093 /nfs/dbraw/zinc/06/80/93/1087068093.db2.gz PALOPSWCRPGPBK-UHFFFAOYSA-N 0 1 358.445 4.020 20 30 FIEDMN C[C@@H](NCc1sccc1Br)c1ccc(OCC#N)cc1 ZINC000148031853 1087070047 /nfs/dbraw/zinc/07/00/47/1087070047.db2.gz BAWCGMDONRJCOA-LLVKDONJSA-N 0 1 351.269 4.264 20 30 FIEDMN Cc1cc(C)c(NC(=O)CNC(=O)CN2CCC[C@H](C3CC3)C2)c(C)c1 ZINC000329616580 1087104470 /nfs/dbraw/zinc/10/44/70/1087104470.db2.gz DMKVGWUODOPBHI-SFHVURJKSA-N 0 1 357.498 4.278 20 30 FIEDMN C=C[C@H](CC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000536205869 1087146293 /nfs/dbraw/zinc/14/62/93/1087146293.db2.gz ZGXSGLFVAGKQAP-RBBKRZOGSA-N 0 1 362.517 4.469 20 30 FIEDMN COc1ccccc1-c1n[nH]c(NC(=O)CCC(=O)c2ccc(C)cc2)n1 ZINC000052778686 1087151839 /nfs/dbraw/zinc/15/18/39/1087151839.db2.gz SRFYXDJXXNWWCR-UHFFFAOYSA-N 0 1 364.405 4.040 20 30 FIEDMN N#CC(C(=O)C=Cc1nc2ccccc2s1)c1cnc2ccccc2n1 ZINC000588587597 1087177871 /nfs/dbraw/zinc/17/78/71/1087177871.db2.gz JNZGDLLFPQLXRU-ASCRHOAZSA-N 0 1 356.410 4.129 20 30 FIEDMN N#C[C@@H](C(=O)C=Cc1nc2ccccc2s1)c1cnc2ccccc2n1 ZINC000588587597 1087177872 /nfs/dbraw/zinc/17/78/72/1087177872.db2.gz JNZGDLLFPQLXRU-ASCRHOAZSA-N 0 1 356.410 4.129 20 30 FIEDMN N#CC(=C([O-])c1cccc(C[NH+]2CCCC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000584190238 1087214650 /nfs/dbraw/zinc/21/46/50/1087214650.db2.gz QMZSRFOIOJUFBG-KRWDZBQOSA-N 0 1 373.378 4.186 20 30 FIEDMN N#C[C@H](C(=O)c1cccc(CN2CCCC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000584190238 1087214654 /nfs/dbraw/zinc/21/46/54/1087214654.db2.gz QMZSRFOIOJUFBG-KRWDZBQOSA-N 0 1 373.378 4.186 20 30 FIEDMN N#Cc1ccccc1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179093289 1087411152 /nfs/dbraw/zinc/41/11/52/1087411152.db2.gz SSCMXICQROJVFM-CQSZACIVSA-N 0 1 351.397 4.413 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N(C)CCCCc2ccccc2)c(C#N)c1C ZINC000053082862 1087498786 /nfs/dbraw/zinc/49/87/86/1087498786.db2.gz RHYHVMLTJFOZCJ-INIZCTEOSA-N 0 1 353.466 4.050 20 30 FIEDMN Cc1cc(CN2CCC(C#N)(c3ccccn3)CC2)cc(C)c1OC(F)F ZINC000548858100 1087702914 /nfs/dbraw/zinc/70/29/14/1087702914.db2.gz FNDXLBJGHCHPTB-UHFFFAOYSA-N 0 1 371.431 4.357 20 30 FIEDMN CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000504567268 1087729601 /nfs/dbraw/zinc/72/96/01/1087729601.db2.gz APBCIOKAWNCDQP-QHCPKHFHSA-N 0 1 363.505 4.377 20 30 FIEDMN CCCn1nccc1C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000659041816 1087957112 /nfs/dbraw/zinc/95/71/12/1087957112.db2.gz INAIRBZVWWMAAX-HNNXBMFYSA-N 0 1 350.447 4.215 20 30 FIEDMN N#Cc1ccc([C@@H](O)CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180580979 1087966999 /nfs/dbraw/zinc/96/69/99/1087966999.db2.gz QBLSZODWADIJTN-IRXDYDNUSA-N 0 1 352.331 4.014 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3[nH]c(=O)n(C(C)C)c3c2)n1 ZINC000659114190 1088116471 /nfs/dbraw/zinc/11/64/71/1088116471.db2.gz LIOFKXGSGMPTOQ-ZDUSSCGKSA-N 0 1 368.462 4.393 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3[nH]c(=O)n(C4CC4)c3c2)n1 ZINC000659115243 1088124271 /nfs/dbraw/zinc/12/42/71/1088124271.db2.gz ULHPHJFBWVWCRV-CYBMUJFWSA-N 0 1 366.446 4.147 20 30 FIEDMN CCN(CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)C1CC1 ZINC000505111906 1088167511 /nfs/dbraw/zinc/16/75/11/1088167511.db2.gz BJQVWKLYIWFAMT-UHFFFAOYSA-N 0 1 365.452 4.023 20 30 FIEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000181300617 1088298895 /nfs/dbraw/zinc/29/88/95/1088298895.db2.gz DWHSJLUNZUMDDE-NWDGAFQWSA-N 0 1 350.388 4.346 20 30 FIEDMN CC(C)(C)N1CCc2nc(NC(=O)c3cc(C#N)ccc3Cl)sc2C1 ZINC000425043425 1088392165 /nfs/dbraw/zinc/39/21/65/1088392165.db2.gz QURMZLCSNKKJIV-UHFFFAOYSA-N 0 1 374.897 4.077 20 30 FIEDMN CCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2OC)cc1OCC ZINC000181390253 1088403597 /nfs/dbraw/zinc/40/35/97/1088403597.db2.gz TVNNQTIQDMDGHI-OAHLLOKOSA-N 0 1 354.450 4.215 20 30 FIEDMN N#Cc1ccc(CN[C@H]2CCCc3ncc(Br)cc32)c(F)c1 ZINC000924978263 1088662564 /nfs/dbraw/zinc/66/25/64/1088662564.db2.gz FMFKKMDTZCZNCQ-INIZCTEOSA-N 0 1 360.230 4.022 20 30 FIEDMN CC(C)C[C@@H](N)c1noc(-c2cccc(OCc3ccccc3C#N)c2)n1 ZINC000414627589 1088910449 /nfs/dbraw/zinc/91/04/49/1088910449.db2.gz ZJGFXUYMTRVULY-LJQANCHMSA-N 0 1 362.433 4.233 20 30 FIEDMN Cc1ccc([C@@]2(C)CCN(Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc1 ZINC000434741825 1089011104 /nfs/dbraw/zinc/01/11/04/1089011104.db2.gz JIGFYYKVHBQVEP-QFIPXVFZSA-N 0 1 358.445 4.080 20 30 FIEDMN C=CCC[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000434992999 1089193433 /nfs/dbraw/zinc/19/34/33/1089193433.db2.gz YLQZQUXPAUUDAU-WOJBJXKFSA-N 0 1 367.493 4.423 20 30 FIEDMN COc1ccc(C#N)cc1CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000435136090 1089321480 /nfs/dbraw/zinc/32/14/80/1089321480.db2.gz YHTGDVZXDXYJFW-UHFFFAOYSA-N 0 1 356.838 4.298 20 30 FIEDMN CCCN(CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000515246130 1089921659 /nfs/dbraw/zinc/92/16/59/1089921659.db2.gz BZGKJMMBKBPZFV-INIZCTEOSA-N 0 1 369.896 4.301 20 30 FIEDMN C=CCN(C(=O)c1cccc2nc(C)[nH]c21)c1nc2c(s1)CCCC2 ZINC000549380811 1089954587 /nfs/dbraw/zinc/95/45/87/1089954587.db2.gz ZAEIKHHCRBISDY-UHFFFAOYSA-N 0 1 352.463 4.039 20 30 FIEDMN N#Cc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)c(Br)c1 ZINC000378480856 1090383438 /nfs/dbraw/zinc/38/34/38/1090383438.db2.gz HGOKHMBAZRWNLZ-HKUYNNGSSA-N 0 1 371.278 4.188 20 30 FIEDMN C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1OC ZINC000628298398 1090996608 /nfs/dbraw/zinc/99/66/08/1090996608.db2.gz DSFPESAWUYJGNA-NXHRZFHOSA-N 0 1 365.901 4.039 20 30 FIEDMN O=C(CSc1ccc2ccccc2c1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053525480 1091105871 /nfs/dbraw/zinc/10/58/71/1091105871.db2.gz GRZKPLFLYDXTBX-UHFFFAOYSA-N 0 1 361.430 4.400 20 30 FIEDMN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000500315186 1091266937 /nfs/dbraw/zinc/26/69/37/1091266937.db2.gz GHQBUYRUQIJDJT-UHFFFAOYSA-N 0 1 364.474 4.308 20 30 FIEDMN Cc1ccc2nc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)[nH]c2c1 ZINC000431983631 1091520253 /nfs/dbraw/zinc/52/02/53/1091520253.db2.gz FBRIQKIAZJUKLQ-QGZVFWFLSA-N 0 1 361.449 4.106 20 30 FIEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@]2(CC=CCC2)C1 ZINC000512208874 1091911492 /nfs/dbraw/zinc/91/14/92/1091911492.db2.gz IOBRANWZDMXUKC-VFNWGFHPSA-N 0 1 369.534 4.258 20 30 FIEDMN C=CCC[C@H](NC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1)c1ccccc1 ZINC000487412881 1092359113 /nfs/dbraw/zinc/35/91/13/1092359113.db2.gz RJFSLVKXEBUSPE-UXLLHSPISA-N 0 1 355.486 4.386 20 30 FIEDMN N#CC(=C([O-])c1cn2cc(Cl)cc(Cl)c2[nH+]1)c1nc2ccccc2[nH]1 ZINC000442001030 1092368816 /nfs/dbraw/zinc/36/88/16/1092368816.db2.gz LHCOWWWAYZDSTA-JTQLQIEISA-N 0 1 370.199 4.007 20 30 FIEDMN CCOc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000521107727 1092505400 /nfs/dbraw/zinc/50/54/00/1092505400.db2.gz DBLVLGYCRRGUIK-KGLIPLIRSA-N 0 1 371.868 4.288 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)c(F)c3)[nH]c21 ZINC000521109745 1092506339 /nfs/dbraw/zinc/50/63/39/1092506339.db2.gz IZPPPNCHDJLDEO-HNNXBMFYSA-N 0 1 358.376 4.291 20 30 FIEDMN CC1CCN([C@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)c2cccs2)CC1 ZINC000521186519 1092564310 /nfs/dbraw/zinc/56/43/10/1092564310.db2.gz GQXXDXYCZZNHPA-UTKZUKDTSA-N 0 1 371.550 4.111 20 30 FIEDMN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000549746692 1092740666 /nfs/dbraw/zinc/74/06/66/1092740666.db2.gz JYAQNWFGMMNLJF-JSGCOSHPSA-N 0 1 354.281 4.336 20 30 FIEDMN COc1cc(CN2CCC(Oc3ccccc3Cl)CC2)ccc1C#N ZINC000442801176 1092775026 /nfs/dbraw/zinc/77/50/26/1092775026.db2.gz LWXKBLHGXBICJL-UHFFFAOYSA-N 0 1 356.853 4.264 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccccc2OCCc2ccccc2)cc1O ZINC000442879918 1092833511 /nfs/dbraw/zinc/83/35/11/1092833511.db2.gz WRRIUTQYBOCVEM-UHFFFAOYSA-N 0 1 358.397 4.138 20 30 FIEDMN C[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000442885434 1092839019 /nfs/dbraw/zinc/83/90/19/1092839019.db2.gz XEZIETLQHKCYBZ-QNOZYLDQSA-N 0 1 367.493 4.403 20 30 FIEDMN C#Cc1ccc(NC(=O)CCN(C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC001167911753 1092865758 /nfs/dbraw/zinc/86/57/58/1092865758.db2.gz JWQVBJGJJBKBDO-HNNXBMFYSA-N 0 1 363.486 4.299 20 30 FIEDMN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1SCCC#N ZINC000521713365 1092871515 /nfs/dbraw/zinc/87/15/15/1092871515.db2.gz OUVOUPMNOKGESC-UHFFFAOYSA-N 0 1 366.895 4.455 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1O ZINC000442948431 1092882074 /nfs/dbraw/zinc/88/20/74/1092882074.db2.gz AHAKOCXCGBXFGP-UHFFFAOYSA-N 0 1 372.359 4.199 20 30 FIEDMN COc1cccc(C2(F)CCN(Cc3ccc(C#N)c(OC)c3)CC2)c1 ZINC000443066858 1092926613 /nfs/dbraw/zinc/92/66/13/1092926613.db2.gz IJDDFDADPDNPAJ-UHFFFAOYSA-N 0 1 354.425 4.036 20 30 FIEDMN C=CCOc1ccc(CNCc2c(C(C)C)nc3sc(C)nn32)cc1 ZINC000512562444 1092930941 /nfs/dbraw/zinc/93/09/41/1092930941.db2.gz VVPXRCMMJANCKV-UHFFFAOYSA-N 0 1 356.495 4.077 20 30 FIEDMN CCCCCN(CC(=O)NCc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000521820983 1092940204 /nfs/dbraw/zinc/94/02/04/1092940204.db2.gz MQDFZTFKJMURRZ-UHFFFAOYSA-N 0 1 367.468 4.006 20 30 FIEDMN C[C@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(C#N)cc1F ZINC000512610494 1092985738 /nfs/dbraw/zinc/98/57/38/1092985738.db2.gz BSQWJECJLFDMFH-HNNXBMFYSA-N 0 1 374.419 4.195 20 30 FIEDMN C[C@@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C#N)cc1F ZINC000512625920 1093024878 /nfs/dbraw/zinc/02/48/78/1093024878.db2.gz QWUOKSTWQSMZGE-MRXNPFEDSA-N 0 1 365.452 4.174 20 30 FIEDMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168935 1093040412 /nfs/dbraw/zinc/04/04/12/1093040412.db2.gz JSHIPAGSWZMCGF-LMKMVOKYSA-N 0 1 354.519 4.418 20 30 FIEDMN CC(C)(C#N)c1ccc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)cc1 ZINC000614186065 1093092625 /nfs/dbraw/zinc/09/26/25/1093092625.db2.gz QMDZARLFSISHRG-GOSISDBHSA-N 0 1 354.416 4.013 20 30 FIEDMN CCN(Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000190477449 1093114183 /nfs/dbraw/zinc/11/41/83/1093114183.db2.gz SVEVQLLGJUZEJQ-CQSZACIVSA-N 0 1 364.449 4.099 20 30 FIEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000458830697 1093211841 /nfs/dbraw/zinc/21/18/41/1093211841.db2.gz GJVQKOOKDGTHCK-YQQAZPJKSA-N 0 1 368.485 4.114 20 30 FIEDMN CC[C@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(Cl)cc1 ZINC000182309798 1093756184 /nfs/dbraw/zinc/75/61/84/1093756184.db2.gz HEEVWMONEYKCRX-PXAZEXFGSA-N 0 1 359.857 4.489 20 30 FIEDMN N#Cc1cc(C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)c[nH]1 ZINC000182768583 1094166974 /nfs/dbraw/zinc/16/69/74/1094166974.db2.gz ZDFGZJABFAALJH-UHFFFAOYSA-N 0 1 361.792 4.335 20 30 FIEDMN N#CC(C(=O)c1cncn1-c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000513666138 1094262706 /nfs/dbraw/zinc/26/27/06/1094262706.db2.gz JQPFNITUSDKIKA-CQSZACIVSA-N 0 1 362.389 4.111 20 30 FIEDMN N#CC(=C([O-])c1c[nH+]cn1-c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000513666138 1094262710 /nfs/dbraw/zinc/26/27/10/1094262710.db2.gz JQPFNITUSDKIKA-CQSZACIVSA-N 0 1 362.389 4.111 20 30 FIEDMN C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc(Br)cn1 ZINC000280372035 1094332096 /nfs/dbraw/zinc/33/20/96/1094332096.db2.gz KNTZAYMLAYGZFE-ZDUSSCGKSA-N 0 1 358.283 4.496 20 30 FIEDMN N#CC(=C([O-])c1cc(-c2ccccc2Cl)[nH]n1)c1nc2ccccc2[nH]1 ZINC000041494346 1094620317 /nfs/dbraw/zinc/62/03/17/1094620317.db2.gz FZYKPWRSUKRPNR-GFCCVEGCSA-N 0 1 361.792 4.096 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)n1 ZINC000041515834 1094639668 /nfs/dbraw/zinc/63/96/68/1094639668.db2.gz FZDQUDGJDQKREK-OAHLLOKOSA-N 0 1 368.437 4.390 20 30 FIEDMN CCOc1c(Cl)cc(C(=O)C(C#N)c2nc3ccccc3o2)cc1OC ZINC000041547953 1094648558 /nfs/dbraw/zinc/64/85/58/1094648558.db2.gz JQCNJIDMYVGQFR-GFCCVEGCSA-N 0 1 370.792 4.379 20 30 FIEDMN CCCN(CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1 ZINC000501356347 1094653294 /nfs/dbraw/zinc/65/32/94/1094653294.db2.gz GBLOIJOCYYRLIU-UHFFFAOYSA-N 0 1 363.505 4.462 20 30 FIEDMN CC(C)c1cc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)nn1C(C)(C)C ZINC000329026156 1094716423 /nfs/dbraw/zinc/71/64/23/1094716423.db2.gz OAHXEPJNRAPAPX-PKOBYXMFSA-N 0 1 368.525 4.164 20 30 FIEDMN O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329038875 1094719522 /nfs/dbraw/zinc/71/95/22/1094719522.db2.gz CYMNVUUNCBBSHL-CQSZACIVSA-N 0 1 372.900 4.422 20 30 FIEDMN O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329038875 1094719535 /nfs/dbraw/zinc/71/95/35/1094719535.db2.gz CYMNVUUNCBBSHL-CQSZACIVSA-N 0 1 372.900 4.422 20 30 FIEDMN Cc1cc(C)cc(C2=CCN(C(=O)N[C@H]3CCCc4cn[nH]c43)CC2)c1 ZINC000329102661 1094740318 /nfs/dbraw/zinc/74/03/18/1094740318.db2.gz NJCZNASRQJGYOB-IBGZPJMESA-N 0 1 350.466 4.107 20 30 FIEDMN C[C@H]1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC12CCC2 ZINC000329158689 1094758977 /nfs/dbraw/zinc/75/89/77/1094758977.db2.gz XBPWUSSSEFYJKF-ZDUSSCGKSA-N 0 1 374.485 4.326 20 30 FIEDMN N#Cc1ccc(CN[C@@H]2CCOc3c(Br)cccc32)cc1F ZINC000501537211 1094763659 /nfs/dbraw/zinc/76/36/59/1094763659.db2.gz RBIUYSOJPRXWTK-MRXNPFEDSA-N 0 1 361.214 4.073 20 30 FIEDMN N#CC1(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)CCCCC1 ZINC000329256119 1094799090 /nfs/dbraw/zinc/79/90/90/1094799090.db2.gz AUYLOYAFKRPNDZ-QGZVFWFLSA-N 0 1 369.513 4.032 20 30 FIEDMN O=C(NC1CCC(c2ccc(F)cc2)CC1)N1CCC[C@H]1Cn1ccnc1 ZINC000329289393 1094818511 /nfs/dbraw/zinc/81/85/11/1094818511.db2.gz IAMIAAVDPALIRV-UUKMXZOPSA-N 0 1 370.472 4.127 20 30 FIEDMN C[C@]1(c2ccccc2)CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000329288400 1094819192 /nfs/dbraw/zinc/81/91/92/1094819192.db2.gz PQUNSWDHBVXKOS-NQIIRXRSSA-N 0 1 352.482 4.145 20 30 FIEDMN [O-]C(=[NH+]CCc1ccc(O)cc1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000329463789 1094921552 /nfs/dbraw/zinc/92/15/52/1094921552.db2.gz UMWXFBWFWYMZTR-HBMCJLEFSA-N 0 1 350.462 4.117 20 30 FIEDMN O=C(Nc1ccsc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329498215 1094937760 /nfs/dbraw/zinc/93/77/60/1094937760.db2.gz XUGXJYWUJDRAPR-CQSZACIVSA-N 0 1 359.499 4.339 20 30 FIEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000501853489 1094970838 /nfs/dbraw/zinc/97/08/38/1094970838.db2.gz UQDXCMGHHXDKQH-INIZCTEOSA-N 0 1 372.472 4.246 20 30 FIEDMN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCc3nc[nH]c3C2)cc1 ZINC000329606031 1094997643 /nfs/dbraw/zinc/99/76/43/1094997643.db2.gz MIADKJZICXCKDE-PXNSSMCTSA-N 0 1 366.509 4.316 20 30 FIEDMN C=CCN1CC[C@H](N(Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)C1=O ZINC001168045126 1095025751 /nfs/dbraw/zinc/02/57/51/1095025751.db2.gz XAJROVMGTHYONW-GOTSBHOMSA-N 0 1 360.501 4.271 20 30 FIEDMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@@H]1CCCCC12CCCC2 ZINC000329642206 1095050308 /nfs/dbraw/zinc/05/03/08/1095050308.db2.gz YFQLQHCTVDSHMX-HXUWFJFHSA-N 0 1 370.541 4.053 20 30 FIEDMN Cc1c(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cnn1C1CCCCC1 ZINC000329717830 1095202609 /nfs/dbraw/zinc/20/26/09/1095202609.db2.gz XZXYBZTYODCEFC-LEWJYISDSA-N 0 1 366.509 4.099 20 30 FIEDMN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1nc2ccccc2s1 ZINC000329804997 1095272524 /nfs/dbraw/zinc/27/25/24/1095272524.db2.gz KONUZKFQQDYGNK-DJIMGWMZSA-N 0 1 373.522 4.290 20 30 FIEDMN Cc1ccc(C)c(NC(=O)CN2CCCC[C@H]2c2n[nH]c(C(C)C)n2)c1 ZINC000329859919 1095297096 /nfs/dbraw/zinc/29/70/96/1095297096.db2.gz XAJRMQGHAUIKIN-KRWDZBQOSA-N 0 1 355.486 4.360 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC(c2cccc(Cl)c2)CC1 ZINC000329999083 1095343407 /nfs/dbraw/zinc/34/34/07/1095343407.db2.gz UCZNIYJENFLLIW-QGZVFWFLSA-N 0 1 358.873 4.234 20 30 FIEDMN C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)C[C@H]1n1ccnc1 ZINC000330009281 1095347975 /nfs/dbraw/zinc/34/79/75/1095347975.db2.gz GBJZGNDHNHNEBW-MCYKXBRJSA-N 0 1 370.472 4.155 20 30 FIEDMN CC(C)(C)c1cc(NC(=O)N[C@H]2CCCc3cn[nH]c32)n(C(C)(C)C)n1 ZINC000330101279 1095382086 /nfs/dbraw/zinc/38/20/86/1095382086.db2.gz FBVJMXQLEDTUFS-ZDUSSCGKSA-N 0 1 358.490 4.062 20 30 FIEDMN O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330101389 1095382168 /nfs/dbraw/zinc/38/21/68/1095382168.db2.gz FMLKXVLZSCERLJ-QZTJIDSGSA-N 0 1 356.445 4.361 20 30 FIEDMN Cc1noc([C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@H](c4ccccc4)C3)C2)n1 ZINC000330122651 1095388578 /nfs/dbraw/zinc/38/85/78/1095388578.db2.gz AIWMBZIYGSAQKT-IPMKNSEASA-N 0 1 368.481 4.198 20 30 FIEDMN O=C(Nc1ccc(OC2CCCC2)c(F)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330137792 1095392579 /nfs/dbraw/zinc/39/25/79/1095392579.db2.gz VCTCVVPLHYRTQM-MRXNPFEDSA-N 0 1 358.417 4.083 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000330158379 1095399613 /nfs/dbraw/zinc/39/96/13/1095399613.db2.gz QAOHZXJXCNSSHD-KRWDZBQOSA-N 0 1 350.397 4.357 20 30 FIEDMN CC1(C)[C@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)[C@@H]2CCCO[C@@H]21 ZINC000330236786 1095428646 /nfs/dbraw/zinc/42/86/46/1095428646.db2.gz UMYRIIGMXDKJBH-AMFBXLIHSA-N 0 1 365.886 4.300 20 30 FIEDMN CCCOc1c(Cl)cc(CNCc2ccc(C#N)s2)cc1OC ZINC000421352565 1095544102 /nfs/dbraw/zinc/54/41/02/1095544102.db2.gz OLIPNDFFPLEBIG-UHFFFAOYSA-N 0 1 350.871 4.360 20 30 FIEDMN Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C1)CCCC2 ZINC000330351641 1095560251 /nfs/dbraw/zinc/56/02/51/1095560251.db2.gz MNNNHYALYCHPAG-PSBWJHGTSA-N 0 1 372.557 4.241 20 30 FIEDMN C[C@@]1(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)CC1(F)F ZINC000421511895 1095673660 /nfs/dbraw/zinc/67/36/60/1095673660.db2.gz OUPPNJOYEIMNIN-NSHDSACASA-N 0 1 369.240 4.201 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN[C@@H](CO)c1ccc(Br)cc1 ZINC000273125226 1096235605 /nfs/dbraw/zinc/23/56/05/1096235605.db2.gz QJHKLRNVLRVFJL-SFHVURJKSA-N 0 1 373.294 4.073 20 30 FIEDMN C[C@@H]1C[C@]1(NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 ZINC000503407850 1096388818 /nfs/dbraw/zinc/38/88/18/1096388818.db2.gz RFOPKICZLLJAPZ-CWTRNNRKSA-N 0 1 374.271 4.328 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4sccc4CC#N)C3)[nH]c2c1 ZINC000866899156 1096575419 /nfs/dbraw/zinc/57/54/19/1096575419.db2.gz FEKWEUINGGIQTB-HNNXBMFYSA-N 0 1 364.474 4.019 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cccc(C#N)c4C)C3)[nH]c2c1 ZINC000513812360 1096740291 /nfs/dbraw/zinc/74/02/91/1096740291.db2.gz JRHDEMGPTDROBA-KRWDZBQOSA-N 0 1 358.445 4.071 20 30 FIEDMN N#Cc1cccc(OCCSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000515430161 1098576822 /nfs/dbraw/zinc/57/68/22/1098576822.db2.gz RJOKADJRVQIJBQ-UHFFFAOYSA-N 0 1 356.838 4.168 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1C1CCC1 ZINC000532963756 1098632788 /nfs/dbraw/zinc/63/27/88/1098632788.db2.gz WMADLWMRVQINEL-MAUKXSAKSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000532976915 1098646110 /nfs/dbraw/zinc/64/61/10/1098646110.db2.gz RGLOKDGNOXWISF-PBHICJAKSA-N 0 1 353.853 4.028 20 30 FIEDMN C=CCC1(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CCCC1 ZINC000454723677 1098712303 /nfs/dbraw/zinc/71/23/03/1098712303.db2.gz TVJYLMCVYTVWOO-GOSISDBHSA-N 0 1 370.541 4.043 20 30 FIEDMN Cc1oc(C#N)cc1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000436143698 1098769246 /nfs/dbraw/zinc/76/92/46/1098769246.db2.gz KMWHUGWWKRERIX-UHFFFAOYSA-N 0 1 369.384 4.164 20 30 FIEDMN Cc1oc(C#N)cc1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000436143698 1098769256 /nfs/dbraw/zinc/76/92/56/1098769256.db2.gz KMWHUGWWKRERIX-UHFFFAOYSA-N 0 1 369.384 4.164 20 30 FIEDMN C[C@@H](C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000436467580 1099034959 /nfs/dbraw/zinc/03/49/59/1099034959.db2.gz DUFAZBIEVVIJLI-CDUCUWFYSA-N 0 1 351.649 4.397 20 30 FIEDMN Cc1ccccc1C1CC(N(CC(=O)Nc2sccc2C#N)C2CC2)C1 ZINC000533437786 1099042064 /nfs/dbraw/zinc/04/20/64/1099042064.db2.gz UDGDBSZNPGGNMP-UHFFFAOYSA-N 0 1 365.502 4.277 20 30 FIEDMN C=CCN(CC=C)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000505886893 1099351807 /nfs/dbraw/zinc/35/18/07/1099351807.db2.gz OBCSGURGVTUZPS-UHFFFAOYSA-N 0 1 362.214 4.233 20 30 FIEDMN N#Cc1cc(Oc2ccc(NC(=O)c3ccc(O)c(Cl)c3)cc2)ccn1 ZINC000436943432 1099457182 /nfs/dbraw/zinc/45/71/82/1099457182.db2.gz YVAJRDNTRZOQFS-UHFFFAOYSA-N 0 1 365.776 4.357 20 30 FIEDMN CN(CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1-c1ccccc1 ZINC000116604475 1099604009 /nfs/dbraw/zinc/60/40/09/1099604009.db2.gz BQEXDGBEHWHDPL-UHFFFAOYSA-N 0 1 361.489 4.128 20 30 FIEDMN C#CCN1CCC[C@H]1COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000729810082 1099694558 /nfs/dbraw/zinc/69/45/58/1099694558.db2.gz SRJPFQIGVCTIRG-OGBKAESYSA-N 0 1 369.461 4.069 20 30 FIEDMN N#Cc1ccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c(OC(F)F)c1 ZINC000437409206 1099901937 /nfs/dbraw/zinc/90/19/37/1099901937.db2.gz IXDTUVUPKJTSLU-UHFFFAOYSA-N 0 1 358.388 4.277 20 30 FIEDMN N#Cc1ccc(CN(Cc2cccc(O)c2)CC2CC2)c(OC(F)F)c1 ZINC000437409206 1099901943 /nfs/dbraw/zinc/90/19/43/1099901943.db2.gz IXDTUVUPKJTSLU-UHFFFAOYSA-N 0 1 358.388 4.277 20 30 FIEDMN CC[C@@H](C)c1nc([C@@H](C)Nc2cc(Br)c(C#N)cc2F)n[nH]1 ZINC000517041684 1100010467 /nfs/dbraw/zinc/01/04/67/1100010467.db2.gz XRBBFTUOTZECHU-RKDXNWHRSA-N 0 1 366.238 4.265 20 30 FIEDMN O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cc(=O)c2ccccc2[nH]1 ZINC000506088094 1100068251 /nfs/dbraw/zinc/06/82/51/1100068251.db2.gz UESNWEAWPJCFJC-UHFFFAOYSA-N 0 1 364.404 4.180 20 30 FIEDMN C[C@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000459422330 1100153236 /nfs/dbraw/zinc/15/32/36/1100153236.db2.gz ZKEWGCIWPSOUKE-HNNXBMFYSA-N 0 1 370.456 4.449 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000517522152 1100451579 /nfs/dbraw/zinc/45/15/79/1100451579.db2.gz NVRPOQQMCLUKGQ-GFCCVEGCSA-N 0 1 352.419 4.316 20 30 FIEDMN Cc1oc(NC(=O)CN(C2CC2)[C@@H]2CCCc3ccccc32)c(C#N)c1C ZINC000438737129 1100888235 /nfs/dbraw/zinc/88/82/35/1100888235.db2.gz XLNQJNZGKJIROG-HXUWFJFHSA-N 0 1 363.461 4.249 20 30 FIEDMN Cn1cc(-c2ccc(CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)s2)cn1 ZINC000518404182 1101160122 /nfs/dbraw/zinc/16/01/22/1101160122.db2.gz QMKGMGWCXOIHRZ-WOJBJXKFSA-N 0 1 362.502 4.420 20 30 FIEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Br)c1O ZINC000518572213 1101318000 /nfs/dbraw/zinc/31/80/00/1101318000.db2.gz AQHYQONOGXXHAD-UHFFFAOYSA-N 0 1 373.250 4.079 20 30 FIEDMN N#CC(C(=O)c1ccc(-c2cnco2)cc1)c1nc(-c2ccncc2)cs1 ZINC000518642164 1101373986 /nfs/dbraw/zinc/37/39/86/1101373986.db2.gz YDTNJWUWTRXOMN-MRXNPFEDSA-N 0 1 372.409 4.350 20 30 FIEDMN COCCOc1ccc([C@H](C)NCc2ccc(C#N)cc2Cl)cc1OC ZINC000439446713 1101450393 /nfs/dbraw/zinc/45/03/93/1101450393.db2.gz ZPOFQMRJICBTKS-AWEZNQCLSA-N 0 1 374.868 4.096 20 30 FIEDMN C=CCCC1(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000476067373 1101856887 /nfs/dbraw/zinc/85/68/87/1101856887.db2.gz WQIOUVWMVJDSEV-KRWDZBQOSA-N 0 1 366.427 4.142 20 30 FIEDMN Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccoc1 ZINC000506729976 1101943319 /nfs/dbraw/zinc/94/33/19/1101943319.db2.gz KMYXPBRTXRJRNP-UHFFFAOYSA-N 0 1 354.387 4.053 20 30 FIEDMN CN1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C2(CCCCC2)C1 ZINC001126471553 1102037391 /nfs/dbraw/zinc/03/73/91/1102037391.db2.gz CNKRYYMVNMQVII-UHFFFAOYSA-N 0 1 372.512 4.177 20 30 FIEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440267049 1102157308 /nfs/dbraw/zinc/15/73/08/1102157308.db2.gz FKCFBXWKUDOLKF-UHFFFAOYSA-N 0 1 356.834 4.474 20 30 FIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1csc(-c2cccs2)n1 ZINC000122199569 1102544254 /nfs/dbraw/zinc/54/42/54/1102544254.db2.gz ROQGYDVRQUIORA-LLVKDONJSA-N 0 1 364.455 4.248 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1csc(-c2cccs2)n1 ZINC000122199569 1102544263 /nfs/dbraw/zinc/54/42/63/1102544263.db2.gz ROQGYDVRQUIORA-LLVKDONJSA-N 0 1 364.455 4.248 20 30 FIEDMN C=C[C@H](CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000122978864 1102704375 /nfs/dbraw/zinc/70/43/75/1102704375.db2.gz CFKSWCKUFFSBTN-QUCCMNQESA-N 0 1 352.478 4.283 20 30 FIEDMN COC(=O)c1cc(C)cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000459343583 1102867028 /nfs/dbraw/zinc/86/70/28/1102867028.db2.gz GHRWFHWGKMYWMH-AWEZNQCLSA-N 0 1 356.447 4.026 20 30 FIEDMN Cc1noc2nc(C(C)C)cc(C(=O)C(C#N)c3nc4ccccc4n3C)c12 ZINC000102115663 1102872372 /nfs/dbraw/zinc/87/23/72/1102872372.db2.gz GPOHJCBRFYUUGG-AWEZNQCLSA-N 0 1 373.416 4.031 20 30 FIEDMN N#Cc1ccc2nc(-c3ccc(OC(F)F)c(Br)c3)[nH]c2c1 ZINC000506891087 1102945155 /nfs/dbraw/zinc/94/51/55/1102945155.db2.gz COYFPGUNAFEIOO-UHFFFAOYSA-N 0 1 364.149 4.465 20 30 FIEDMN C[C@H](C#N)Oc1ccc(CN2CCC(O)(c3ccccc3Cl)CC2)cc1 ZINC000194950772 1103077255 /nfs/dbraw/zinc/07/72/55/1103077255.db2.gz MMEDSXOSIQLDHM-MRXNPFEDSA-N 0 1 370.880 4.114 20 30 FIEDMN OCCN(CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCc2ccccc21 ZINC000426995332 1103150349 /nfs/dbraw/zinc/15/03/49/1103150349.db2.gz OXUMLHLPFZSXJT-HXUWFJFHSA-N 0 1 359.391 4.039 20 30 FIEDMN CCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)c1cc2ccccc2o1 ZINC000507212171 1103218317 /nfs/dbraw/zinc/21/83/17/1103218317.db2.gz NHHFMCQMCZUELL-IIBYNOLFSA-N 0 1 355.482 4.260 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1cccc(-n2cccn2)c1 ZINC000538189534 1104025253 /nfs/dbraw/zinc/02/52/53/1104025253.db2.gz FEOHSPGJSIHJRV-CQSZACIVSA-N 0 1 368.387 4.196 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000538224509 1104045532 /nfs/dbraw/zinc/04/55/32/1104045532.db2.gz BEUDYLIXYFBBEH-HZPDHXFCSA-N 0 1 362.489 4.078 20 30 FIEDMN CCCCCN(CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000520172865 1104140132 /nfs/dbraw/zinc/14/01/32/1104140132.db2.gz KAVASQBRQPKJDS-UHFFFAOYSA-N 0 1 367.468 4.006 20 30 FIEDMN CSc1ccccc1S(=O)(=O)Nc1ccccc1SCCC#N ZINC000188433770 1104355642 /nfs/dbraw/zinc/35/56/42/1104355642.db2.gz GLUATEBRPYMLQB-UHFFFAOYSA-N 0 1 364.517 4.215 20 30 FIEDMN C=CC[C@@H](C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000188447238 1104472983 /nfs/dbraw/zinc/47/29/83/1104472983.db2.gz LVEDURVDYBUADJ-JOCHJYFZSA-N 0 1 366.480 4.266 20 30 FIEDMN CC[C@@H]1c2ccsc2CCN1C([O-])=[NH+]C[C@@H]1CCCn2cc(C)nc21 ZINC000328712368 1104543127 /nfs/dbraw/zinc/54/31/27/1104543127.db2.gz NJUVVLSUEIYPCU-GOEBONIOSA-N 0 1 358.511 4.054 20 30 FIEDMN C[C@H](C(=O)NC1CC1)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000328804978 1104559903 /nfs/dbraw/zinc/55/99/03/1104559903.db2.gz BWUZUOFQUQSVFO-PIGZYNQJSA-N 0 1 361.873 4.245 20 30 FIEDMN [O-]C(NCCc1csc2ccccc12)=[NH+][C@H]1CCCC12CCOCC2 ZINC000328806127 1104559916 /nfs/dbraw/zinc/55/99/16/1104559916.db2.gz LVHYNZNKVONPAX-SFHVURJKSA-N 0 1 358.507 4.297 20 30 FIEDMN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000328831652 1104573058 /nfs/dbraw/zinc/57/30/58/1104573058.db2.gz UZFFABNTRHGOGS-NJAFHUGGSA-N 0 1 367.497 4.144 20 30 FIEDMN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000328831652 1104573063 /nfs/dbraw/zinc/57/30/63/1104573063.db2.gz UZFFABNTRHGOGS-NJAFHUGGSA-N 0 1 367.497 4.144 20 30 FIEDMN C[C@@H]1CCC[C@@H](CC(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)C1 ZINC000328839317 1104575087 /nfs/dbraw/zinc/57/50/87/1104575087.db2.gz OFWMUCJCFLZYBW-QZTJIDSGSA-N 0 1 371.525 4.269 20 30 FIEDMN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@H](C2CCOCC2)C1 ZINC000328859300 1104580646 /nfs/dbraw/zinc/58/06/46/1104580646.db2.gz UYOPHZOCQDTFBL-ZFWWWQNUSA-N 0 1 366.889 4.074 20 30 FIEDMN Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000328866485 1104583241 /nfs/dbraw/zinc/58/32/41/1104583241.db2.gz BYUPVBJISXIHIM-CYBMUJFWSA-N 0 1 370.478 4.035 20 30 FIEDMN CC(C)Cn1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)c(C(F)F)n1 ZINC000328903315 1104583884 /nfs/dbraw/zinc/58/38/84/1104583884.db2.gz HSOMBRKPPUEPLR-HNNXBMFYSA-N 0 1 354.445 4.472 20 30 FIEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)C2 ZINC000487405031 1105295159 /nfs/dbraw/zinc/29/51/59/1105295159.db2.gz MCDGRGMAHSCTTP-MSOLQXFVSA-N 0 1 364.493 4.189 20 30 FIEDMN N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2cccc3cc[nH]c32)CC1 ZINC000475343904 1106736431 /nfs/dbraw/zinc/73/64/31/1106736431.db2.gz USWDPWRCCCSPHJ-FQEVSTJZSA-N 0 1 364.880 4.204 20 30 FIEDMN Cc1cc([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1F ZINC000451159912 1106952892 /nfs/dbraw/zinc/95/28/92/1106952892.db2.gz CKCVUQHFPSMWDK-SJORKVTESA-N 0 1 353.441 4.120 20 30 FIEDMN COc1ccc(-c2n[nH]c(SCc3ccc(Cl)cc3C#N)n2)cc1 ZINC000186422215 1106989398 /nfs/dbraw/zinc/98/93/98/1106989398.db2.gz TZOMVBPYRMQROR-UHFFFAOYSA-N 0 1 356.838 4.298 20 30 FIEDMN C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc(C#N)cc1 ZINC000530438662 1107041133 /nfs/dbraw/zinc/04/11/33/1107041133.db2.gz RTQOKEWPDLXUDI-SJCJKPOMSA-N 0 1 374.271 4.321 20 30 FIEDMN N#Cc1ccc(NC(=O)CCN2CC3(CCC3)[C@H]2c2ccco2)cc1Cl ZINC000451849312 1107342232 /nfs/dbraw/zinc/34/22/32/1107342232.db2.gz HGWALYGZBBGXHF-LJQANCHMSA-N 0 1 369.852 4.360 20 30 FIEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444410507 1107557473 /nfs/dbraw/zinc/55/74/73/1107557473.db2.gz IZSMZCFMARNHFB-UHFFFAOYSA-N 0 1 357.417 4.382 20 30 FIEDMN C=CCN(C(=O)c1cc(-c2cccs2)n[nH]1)c1nc2c(s1)CCCC2 ZINC000444463091 1107931511 /nfs/dbraw/zinc/93/15/11/1107931511.db2.gz VZZRCBJDEFHOJI-UHFFFAOYSA-N 0 1 370.503 4.306 20 30 FIEDMN N#Cc1ccc(Nc2cccc(C(=O)N3CCN(C4CCCC4)CC3)c2)cc1 ZINC000523151218 1107955609 /nfs/dbraw/zinc/95/56/09/1107955609.db2.gz UYWKHOOLVKDBSN-UHFFFAOYSA-N 0 1 374.488 4.002 20 30 FIEDMN CCCOc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)c(OC)c1 ZINC000453615762 1108662136 /nfs/dbraw/zinc/66/21/36/1108662136.db2.gz GDQGGVTVHJNTCS-OAHLLOKOSA-N 0 1 350.374 4.115 20 30 FIEDMN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cccc(F)c1C#N ZINC000428426223 1109064725 /nfs/dbraw/zinc/06/47/25/1109064725.db2.gz XGXAFTPPRQZSDV-UHFFFAOYSA-N 0 1 366.415 4.291 20 30 FIEDMN N#C[C@@H]1CCC[C@H](NCc2ccc(Cl)cc2I)C1 ZINC000446850269 1109358215 /nfs/dbraw/zinc/35/82/15/1109358215.db2.gz XMZIWESSKHVLIW-MFKMUULPSA-N 0 1 374.653 4.117 20 30 FIEDMN CC[C@H](NCc1cc(Br)cc2c1OCC2)c1ccc(C#N)cc1 ZINC000447600423 1109598651 /nfs/dbraw/zinc/59/86/51/1109598651.db2.gz MKWYUKIOKXDIGT-SFHVURJKSA-N 0 1 371.278 4.497 20 30 FIEDMN Cn1ncc(C(=O)C(C#N)c2nccc3ccccc32)c1Cc1ccccc1 ZINC000447632386 1109603917 /nfs/dbraw/zinc/60/39/17/1109603917.db2.gz IYFUIWUCFOSKIY-IBGZPJMESA-N 0 1 366.424 4.049 20 30 FIEDMN CN(Cc1ccccc1NC(=O)c1ccc(C#N)c(O)c1)c1ccccc1 ZINC000447704952 1109625738 /nfs/dbraw/zinc/62/57/38/1109625738.db2.gz USSNPAPPWYCNDK-UHFFFAOYSA-N 0 1 357.413 4.153 20 30 FIEDMN Cc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1Cl ZINC000447744773 1109637137 /nfs/dbraw/zinc/63/71/37/1109637137.db2.gz YWIGRPKNPGXVGJ-UHFFFAOYSA-N 0 1 367.880 4.371 20 30 FIEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)C2 ZINC000527007316 1109665111 /nfs/dbraw/zinc/66/51/11/1109665111.db2.gz WKXSCHQWBCDZDZ-KKWNJKKUSA-N 0 1 370.541 4.253 20 30 FIEDMN C[C@@H](N[C@H](c1ccccn1)C1CCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000528654320 1110063419 /nfs/dbraw/zinc/06/34/19/1110063419.db2.gz BOOKBQBEVOBQSS-YJYMSZOUSA-N 0 1 368.868 4.065 20 30 FIEDMN FCC1(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCOCC1 ZINC000449447057 1110072149 /nfs/dbraw/zinc/07/21/49/1110072149.db2.gz WKTCBVUTRYWUAO-UHFFFAOYSA-N 0 1 359.285 4.333 20 30 FIEDMN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCCC12CC2 ZINC000528918507 1110151408 /nfs/dbraw/zinc/15/14/08/1110151408.db2.gz JYWCTHLABCQHJL-KBPBESRZSA-N 0 1 351.233 4.221 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000026369022 1110266814 /nfs/dbraw/zinc/26/68/14/1110266814.db2.gz NGMWBXNFKGMBIB-VXGBXAGGSA-N 0 1 373.909 4.440 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H](C)c3cccc(C#N)c3)[nH]c2c1 ZINC000462021817 1111466491 /nfs/dbraw/zinc/46/64/91/1111466491.db2.gz CERNETQUVCXYLN-QRWLVFNGSA-N 0 1 358.445 4.210 20 30 FIEDMN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2OC(F)F)cc1F ZINC000539377762 1111542856 /nfs/dbraw/zinc/54/28/56/1111542856.db2.gz WQCHXMCNUULRCX-LLVKDONJSA-N 0 1 350.340 4.158 20 30 FIEDMN Cc1nc(-c2cccs2)sc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000041562625 1111669028 /nfs/dbraw/zinc/66/90/28/1111669028.db2.gz KFVGFIGFSJMRJV-LBPRGKRZSA-N 0 1 354.460 4.077 20 30 FIEDMN Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 ZINC000041562625 1111669031 /nfs/dbraw/zinc/66/90/31/1111669031.db2.gz KFVGFIGFSJMRJV-LBPRGKRZSA-N 0 1 354.460 4.077 20 30 FIEDMN N#CC1(NC(=O)CC/C=C/c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000479315322 1111990087 /nfs/dbraw/zinc/99/00/87/1111990087.db2.gz WTMUKUVQFSPVQR-YRNVUSSQSA-N 0 1 373.500 4.155 20 30 FIEDMN N#Cc1ccc(CN2CCCN(c3ccccc3)CC2)c(Br)c1 ZINC000480675762 1112540783 /nfs/dbraw/zinc/54/07/83/1112540783.db2.gz CBOGWSSIQTXYMM-UHFFFAOYSA-N 0 1 370.294 4.033 20 30 FIEDMN C=C(C)[C@@H](N[C@H](C)Cn1cc(Br)cn1)c1ccc(F)c(F)c1 ZINC000480693932 1112548886 /nfs/dbraw/zinc/54/88/86/1112548886.db2.gz DWORRBFPUPIIQA-BDJLRTHQSA-N 0 1 370.241 4.219 20 30 FIEDMN Cc1nc2cccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c2[nH]1 ZINC000555005927 1112614664 /nfs/dbraw/zinc/61/46/64/1112614664.db2.gz GSYFESDZKUETQY-OAHLLOKOSA-N 0 1 359.216 4.173 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H]3CC(C)(C)Oc4ccccc43)[nH]c21 ZINC000842306250 1112928197 /nfs/dbraw/zinc/92/81/97/1112928197.db2.gz HLUQJPCPFBNWSY-CVEARBPZSA-N 0 1 359.429 4.393 20 30 FIEDMN C=C(C)CN(C)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000481525064 1112970328 /nfs/dbraw/zinc/97/03/28/1112970328.db2.gz AKPGEQOBBCLPLC-UHFFFAOYSA-N 0 1 362.302 4.257 20 30 FIEDMN C=C(C)[C@H](NC[C@H](O)COc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000481597048 1112992274 /nfs/dbraw/zinc/99/22/74/1112992274.db2.gz KLCLBMHQAABNPL-LIRRHRJNSA-N 0 1 367.823 4.265 20 30 FIEDMN C=C(C)[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000481623445 1112999610 /nfs/dbraw/zinc/99/96/10/1112999610.db2.gz SCISKHNGQFNZQL-FQEVSTJZSA-N 0 1 355.388 4.072 20 30 FIEDMN Cc1c(C(=O)Nc2ccccc2C#Cc2ccccc2)ccc2cncn21 ZINC001126916328 1113098813 /nfs/dbraw/zinc/09/88/13/1113098813.db2.gz HNEYTYRZQSHYTO-UHFFFAOYSA-N 0 1 351.409 4.295 20 30 FIEDMN COc1ccc(C#N)cc1CN1CCC(n2c(C)nc3ccccc32)CC1 ZINC000482898967 1113395120 /nfs/dbraw/zinc/39/51/20/1113395120.db2.gz PIIIETUUWCVOCV-UHFFFAOYSA-N 0 1 360.461 4.062 20 30 FIEDMN N#CC(C(=O)c1cnc(-c2ccncc2)s1)c1nccc2ccccc21 ZINC000483197733 1113461953 /nfs/dbraw/zinc/46/19/53/1113461953.db2.gz PSVIQINSRFNREB-MRXNPFEDSA-N 0 1 356.410 4.243 20 30 FIEDMN N#C[C@@H](C(=O)c1cnc(-c2ccncc2)s1)c1nccc2ccccc21 ZINC000483197733 1113461956 /nfs/dbraw/zinc/46/19/56/1113461956.db2.gz PSVIQINSRFNREB-MRXNPFEDSA-N 0 1 356.410 4.243 20 30 FIEDMN N#CC(C(=O)c1csc(Nc2ccccn2)n1)c1nccc2ccccc21 ZINC000483235444 1113468232 /nfs/dbraw/zinc/46/82/32/1113468232.db2.gz LYSJHYDPMUHOTD-OAHLLOKOSA-N 0 1 371.425 4.320 20 30 FIEDMN N#C[C@@H](C(=O)c1csc(Nc2ccccn2)n1)c1nccc2ccccc21 ZINC000483235444 1113468234 /nfs/dbraw/zinc/46/82/34/1113468234.db2.gz LYSJHYDPMUHOTD-OAHLLOKOSA-N 0 1 371.425 4.320 20 30 FIEDMN Cn1c2ccccc2c(Cl)c1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000483234600 1113468581 /nfs/dbraw/zinc/46/85/81/1113468581.db2.gz KKOBAGQXUGZXOC-ZDUSSCGKSA-N 0 1 360.804 4.265 20 30 FIEDMN Cn1c2ccccc2c(Cl)c1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 ZINC000483234600 1113468583 /nfs/dbraw/zinc/46/85/83/1113468583.db2.gz KKOBAGQXUGZXOC-ZDUSSCGKSA-N 0 1 360.804 4.265 20 30 FIEDMN CCCN(C(=O)c1ccc(C#N)s1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000487756107 1113801738 /nfs/dbraw/zinc/80/17/38/1113801738.db2.gz UQYVEFKAXLRNJG-SFHVURJKSA-N 0 1 367.518 4.137 20 30 FIEDMN C=C(CNCc1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1 ZINC000488481740 1113940654 /nfs/dbraw/zinc/94/06/54/1113940654.db2.gz MJJZIGOWPPFCON-UHFFFAOYSA-N 0 1 350.443 4.342 20 30 FIEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)n[nH]1 ZINC000489183909 1114065480 /nfs/dbraw/zinc/06/54/80/1114065480.db2.gz ZGPYZTURCQYISE-LSDHHAIUSA-N 0 1 373.460 4.348 20 30 FIEDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000489233458 1114074234 /nfs/dbraw/zinc/07/42/34/1114074234.db2.gz PRUIPBQMJSCRAN-MRXNPFEDSA-N 0 1 365.433 4.379 20 30 FIEDMN Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)sc2nccc(C)c12 ZINC000489913145 1114191877 /nfs/dbraw/zinc/19/18/77/1114191877.db2.gz QGGTUWQUUJVFJG-CYBMUJFWSA-N 0 1 360.442 4.290 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nc3ccccc3n2C)sc2nccc(C)c12 ZINC000489913145 1114191879 /nfs/dbraw/zinc/19/18/79/1114191879.db2.gz QGGTUWQUUJVFJG-CYBMUJFWSA-N 0 1 360.442 4.290 20 30 FIEDMN N#Cc1cccc(C2(C(=O)Nc3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c1 ZINC000490253100 1114246911 /nfs/dbraw/zinc/24/69/11/1114246911.db2.gz XJLIEYRJMGREJS-UHFFFAOYSA-N 0 1 370.334 4.124 20 30 FIEDMN N#Cc1ccc(F)c(CN2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000029631409 1114339576 /nfs/dbraw/zinc/33/95/76/1114339576.db2.gz ZWABLSJRHIWBBQ-UHFFFAOYSA-N 0 1 359.448 4.168 20 30 FIEDMN CC(C)(C)c1nc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cs1 ZINC000029712077 1114359794 /nfs/dbraw/zinc/35/97/94/1114359794.db2.gz HBTKQDZJRUXSLS-UHFFFAOYSA-N 0 1 368.550 4.020 20 30 FIEDMN CCC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(F)cc1F ZINC000571708580 1114493754 /nfs/dbraw/zinc/49/37/54/1114493754.db2.gz JKAOTEQXENPJMX-SFHVURJKSA-N 0 1 363.452 4.080 20 30 FIEDMN C=CCOc1ccc(CN[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000573586987 1115144055 /nfs/dbraw/zinc/14/40/55/1115144055.db2.gz VJZWZDRXFMBXEV-HNNXBMFYSA-N 0 1 356.422 4.409 20 30 FIEDMN CCc1nn(-c2ccccc2)c(CC)c1CNCc1ccc(C#N)c(C)c1 ZINC000573909821 1115195394 /nfs/dbraw/zinc/19/53/94/1115195394.db2.gz JBWWZDULEGWFTO-UHFFFAOYSA-N 0 1 358.489 4.467 20 30 FIEDMN N#Cc1cnccc1CN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000592124683 1115203804 /nfs/dbraw/zinc/20/38/04/1115203804.db2.gz JBJVUCHANLIRDR-SFHVURJKSA-N 0 1 351.841 4.210 20 30 FIEDMN N#CC(C(=O)c1cnn(-c2ccccc2)c1)c1nc2cc(F)ccc2s1 ZINC000592974731 1115272726 /nfs/dbraw/zinc/27/27/26/1115272726.db2.gz YFFGYEMTUUYGHH-HNNXBMFYSA-N 0 1 362.389 4.111 20 30 FIEDMN COc1ccc(CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)C)cc1 ZINC000593029897 1115280549 /nfs/dbraw/zinc/28/05/49/1115280549.db2.gz VSCUAZXENCBXSH-UHFFFAOYSA-N 0 1 353.422 4.276 20 30 FIEDMN CC(C)(C#N)c1ccc(CNCc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000594497926 1115449635 /nfs/dbraw/zinc/44/96/35/1115449635.db2.gz LOVJUNCVLGREGM-UHFFFAOYSA-N 0 1 374.387 4.108 20 30 FIEDMN Cc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)c(O[C@H]2CCOC2)c1 ZINC000594498741 1115450704 /nfs/dbraw/zinc/45/07/04/1115450704.db2.gz VGPXMQSJVMAJQA-NRFANRHFSA-N 0 1 364.489 4.254 20 30 FIEDMN N#CCC[C@H](C#N)CNCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000594553265 1115455912 /nfs/dbraw/zinc/45/59/12/1115455912.db2.gz QEAICTOVDBCQNT-CQSZACIVSA-N 0 1 351.372 4.040 20 30 FIEDMN C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000594541110 1115462207 /nfs/dbraw/zinc/46/22/07/1115462207.db2.gz YHDBDVUUAICEBN-CQSZACIVSA-N 0 1 364.424 4.155 20 30 FIEDMN COc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1O ZINC000059270312 1115481867 /nfs/dbraw/zinc/48/18/67/1115481867.db2.gz UESQPXHAFHQLKA-FARCUNLSSA-N 0 1 367.279 4.224 20 30 FIEDMN C[C@](CO)(NCc1ccc(C2(C#N)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000594919485 1115490008 /nfs/dbraw/zinc/49/00/08/1115490008.db2.gz AFBYOUNNZNBGEE-LJQANCHMSA-N 0 1 374.406 4.258 20 30 FIEDMN N#Cc1ccc(CCN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000595296219 1115521595 /nfs/dbraw/zinc/52/15/95/1115521595.db2.gz XWRZJLQEQMMYRX-KBPBESRZSA-N 0 1 350.306 4.163 20 30 FIEDMN CC(C)(C)C(=O)N1CCC[C@H](CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000595335670 1115523335 /nfs/dbraw/zinc/52/33/35/1115523335.db2.gz UUHPZCHENCRJPK-HLAWJBBLSA-N 0 1 367.537 4.043 20 30 FIEDMN CC(C)[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1F ZINC000595685939 1115556395 /nfs/dbraw/zinc/55/63/95/1115556395.db2.gz KZVLYCRRPMBKAG-IBGZPJMESA-N 0 1 359.832 4.276 20 30 FIEDMN N#CCSc1ccccc1NC(=O)CN1CC[C@@H](C2CCCCC2)C1 ZINC000595732161 1115559707 /nfs/dbraw/zinc/55/97/07/1115559707.db2.gz CQSFRAAJYDYTJP-QGZVFWFLSA-N 0 1 357.523 4.143 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H](C2CCC2)C1 ZINC000595837701 1115564105 /nfs/dbraw/zinc/56/41/05/1115564105.db2.gz RQSXXLLQUULAMD-AEFFLSMTSA-N 0 1 371.550 4.389 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858606 1115564477 /nfs/dbraw/zinc/56/44/77/1115564477.db2.gz XUTKGTMRYVOTGF-IFFAKLHKSA-N 0 1 357.523 4.282 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)CC3(C#N)CCCCC3)[nH]c2c1 ZINC000596999303 1115634218 /nfs/dbraw/zinc/63/42/18/1115634218.db2.gz VBUOMIXAPBBCAJ-GOSISDBHSA-N 0 1 350.466 4.399 20 30 FIEDMN CCCCCc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)n[nH]1 ZINC000597323486 1115658961 /nfs/dbraw/zinc/65/89/61/1115658961.db2.gz ZPTNBZWRYXOEKT-QUCCMNQESA-N 0 1 350.466 4.054 20 30 FIEDMN CC[C@@H](C)CCCCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593351714 1115664746 /nfs/dbraw/zinc/66/47/46/1115664746.db2.gz RNAZXXOMNFZHHU-GOSISDBHSA-N 0 1 355.526 4.245 20 30 FIEDMN N#Cc1cccc(CN2CCC(NC(=O)c3cccc4ccccc43)CC2)c1 ZINC000593352747 1115665585 /nfs/dbraw/zinc/66/55/85/1115665585.db2.gz MIUGOQJTXLDJFH-UHFFFAOYSA-N 0 1 369.468 4.106 20 30 FIEDMN COc1cc([C@H](C)NCc2cccc(C#N)n2)ccc1OCCC(C)C ZINC000602516449 1115707777 /nfs/dbraw/zinc/70/77/77/1115707777.db2.gz MAVDVHIMLZUEAI-INIZCTEOSA-N 0 1 353.466 4.238 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3ccc(Cl)cc3C#N)CC2)c1 ZINC000593514918 1115709920 /nfs/dbraw/zinc/70/99/20/1115709920.db2.gz GTMRYHZUKYGFJC-UHFFFAOYSA-N 0 1 350.853 4.160 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3ncncc3-c3ccccc3)CC2)c1 ZINC000593515401 1115710260 /nfs/dbraw/zinc/71/02/60/1115710260.db2.gz OCSOHYYWADHGCM-UHFFFAOYSA-N 0 1 369.472 4.092 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3ncc(Cl)cc3Cl)CC2)c1 ZINC000593515261 1115710440 /nfs/dbraw/zinc/71/04/40/1115710440.db2.gz LKDQJOBVIUTGDP-UHFFFAOYSA-N 0 1 361.276 4.337 20 30 FIEDMN N#CC(C(=O)CCSc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000060851342 1115718951 /nfs/dbraw/zinc/71/89/51/1115718951.db2.gz YTUNACCTYCURSR-HNNXBMFYSA-N 0 1 374.897 4.017 20 30 FIEDMN N#Cc1cccc(CN[C@H]2CCCSc3ccc(Br)cc32)n1 ZINC000602724486 1115721430 /nfs/dbraw/zinc/72/14/30/1115721430.db2.gz UOBOSZKWASGECR-INIZCTEOSA-N 0 1 374.307 4.433 20 30 FIEDMN Cc1oc(-c2ccsc2)nc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911395 1115731712 /nfs/dbraw/zinc/73/17/12/1115731712.db2.gz YXKUGNZGDRKCKR-UHFFFAOYSA-N 0 1 364.474 4.358 20 30 FIEDMN CC(C)(C#N)C[C@H](O)C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000598603857 1115738291 /nfs/dbraw/zinc/73/82/91/1115738291.db2.gz KSOFWTNNVXLWLE-HNNXBMFYSA-N 0 1 353.293 4.383 20 30 FIEDMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598597942 1115739759 /nfs/dbraw/zinc/73/97/59/1115739759.db2.gz JXWWRQJXZXETAD-LPHOPBHVSA-N 0 1 354.498 4.055 20 30 FIEDMN C#CCN1CCC(C(=O)N(c2ccc3[nH]ccc3c2)[C@@H](C)CC(C)C)CC1 ZINC000170707271 1115757482 /nfs/dbraw/zinc/75/74/82/1115757482.db2.gz VCUJWDRQWPJAHD-SFHVURJKSA-N 0 1 365.521 4.281 20 30 FIEDMN C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000599049863 1115780511 /nfs/dbraw/zinc/78/05/11/1115780511.db2.gz UGCHZKUWVKPKAT-MRXNPFEDSA-N 0 1 371.506 4.078 20 30 FIEDMN Cc1ccc(CN[C@@H]2CCOc3c(Br)cccc32)cc1C#N ZINC000599399354 1115812405 /nfs/dbraw/zinc/81/24/05/1115812405.db2.gz QGBOIZFPXPXSHZ-QGZVFWFLSA-N 0 1 357.251 4.243 20 30 FIEDMN CC(C)(C)Cc1nc(-c2cccc(C(=O)C(C#N)c3ccccn3)c2)no1 ZINC000076825404 1115835515 /nfs/dbraw/zinc/83/55/15/1115835515.db2.gz INYMBBYKYBQTQW-MRXNPFEDSA-N 0 1 360.417 4.210 20 30 FIEDMN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000171366125 1115864296 /nfs/dbraw/zinc/86/42/96/1115864296.db2.gz AQOYCOYSBKZJNF-HRCADAONSA-N 0 1 356.466 4.195 20 30 FIEDMN N#CC(C(=O)[C@H]1CSc2ccccc21)c1nc2ccccc2n1C(F)F ZINC000172486609 1115953387 /nfs/dbraw/zinc/95/33/87/1115953387.db2.gz VNXCOMKXCQUTCW-STQMWFEESA-N 0 1 369.396 4.497 20 30 FIEDMN N#CC(C(=O)[C@@H]1CSc2ccccc21)c1nc2ccccc2n1C(F)F ZINC000172486599 1115953406 /nfs/dbraw/zinc/95/34/06/1115953406.db2.gz VNXCOMKXCQUTCW-CHWSQXEVSA-N 0 1 369.396 4.497 20 30 FIEDMN N#Cc1ccc(C2(NCC(=O)Nc3cccc(Cl)c3Cl)CCC2)cc1 ZINC000594032690 1115967835 /nfs/dbraw/zinc/96/78/35/1115967835.db2.gz ZYZNNKGIOWTODI-UHFFFAOYSA-N 0 1 374.271 4.473 20 30 FIEDMN COc1ccc(CNCc2cccc(OC)c2OC2CCCC2)cc1C#N ZINC000174387288 1116134169 /nfs/dbraw/zinc/13/41/69/1116134169.db2.gz PZAPUHPHHKAJHY-UHFFFAOYSA-N 0 1 366.461 4.187 20 30 FIEDMN COc1ccc(CN[C@H](Cc2ccc(C)cc2)c2ccccn2)cc1C#N ZINC000174399717 1116134536 /nfs/dbraw/zinc/13/45/36/1116134536.db2.gz NYASPWRYWDLDAD-JOCHJYFZSA-N 0 1 357.457 4.344 20 30 FIEDMN CCC(=O)c1ccc(O)c(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1 ZINC000456067645 1116153939 /nfs/dbraw/zinc/15/39/39/1116153939.db2.gz PKUBHKIJLUSGTL-UHFFFAOYSA-N 0 1 350.418 4.064 20 30 FIEDMN C=CCOCCCC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457360439 1116269844 /nfs/dbraw/zinc/26/98/44/1116269844.db2.gz JYGDOOPPIOFKOX-KRWDZBQOSA-N 0 1 361.873 4.253 20 30 FIEDMN N#Cc1cnc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c(Cl)c1 ZINC000442737092 1116297752 /nfs/dbraw/zinc/29/77/52/1116297752.db2.gz KQZSDJYTWHVSPN-HNNXBMFYSA-N 0 1 358.232 4.478 20 30 FIEDMN Cc1ccc(OCc2ccccc2)c(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000443165012 1116361890 /nfs/dbraw/zinc/36/18/90/1116361890.db2.gz FMGIINPSGYCEFG-UHFFFAOYSA-N 0 1 358.397 4.404 20 30 FIEDMN N#Cc1ccccc1N1CCCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000539840301 1116389431 /nfs/dbraw/zinc/38/94/31/1116389431.db2.gz FNKLOFAQAKNZPO-UHFFFAOYSA-N 0 1 374.513 4.394 20 30 FIEDMN Cn1cc(CNCc2ccc(-c3ccccc3C#N)cc2)c(C(F)F)n1 ZINC000462794970 1117777014 /nfs/dbraw/zinc/77/70/14/1117777014.db2.gz YWQXNZPZCOOLNK-UHFFFAOYSA-N 0 1 352.388 4.186 20 30 FIEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000540362670 1118015577 /nfs/dbraw/zinc/01/55/77/1118015577.db2.gz NCZFQOQALTZGHT-HTAPYJJXSA-N 0 1 365.477 4.184 20 30 FIEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000540362680 1118015653 /nfs/dbraw/zinc/01/56/53/1118015653.db2.gz NCZFQOQALTZGHT-VGSWGCGISA-N 0 1 365.477 4.184 20 30 FIEDMN CC(C)(C)OC(=O)N1CCc2cccc(CNCc3ccc(C#N)cc3)c21 ZINC000312147190 1118176961 /nfs/dbraw/zinc/17/69/61/1118176961.db2.gz BZDYMKQDXJSOFG-UHFFFAOYSA-N 0 1 363.461 4.146 20 30 FIEDMN COc1coc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1=O ZINC000541085128 1118377328 /nfs/dbraw/zinc/37/73/28/1118377328.db2.gz QDAYYCHPDMSLMN-OAHLLOKOSA-N 0 1 360.413 4.038 20 30 FIEDMN CN(Cc1ccc(CC#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000541283284 1118462890 /nfs/dbraw/zinc/46/28/90/1118462890.db2.gz ZJJJVIZUVKVOLD-OALUTQOASA-N 0 1 361.272 4.150 20 30 FIEDMN CCc1[nH+]c2ccc(Cl)cn2c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000464182426 1118474941 /nfs/dbraw/zinc/47/49/41/1118474941.db2.gz IEYFYZKOPBPLNV-GFCCVEGCSA-N 0 1 364.792 4.181 20 30 FIEDMN CC(C)Sc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428812005 1118521635 /nfs/dbraw/zinc/52/16/35/1118521635.db2.gz LFCNUCHUIACKKN-GOSISDBHSA-N 0 1 353.491 4.107 20 30 FIEDMN COc1cc(Cl)ccc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464421894 1118559338 /nfs/dbraw/zinc/55/93/38/1118559338.db2.gz SLYSDQRHTUXXES-LBPRGKRZSA-N 0 1 354.715 4.252 20 30 FIEDMN N#CC(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000464464109 1118571310 /nfs/dbraw/zinc/57/13/10/1118571310.db2.gz CWYVCFJUQPTHCT-GFCCVEGCSA-N 0 1 369.686 4.152 20 30 FIEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC#Cc1ccccc1Cl ZINC000541602218 1118575553 /nfs/dbraw/zinc/57/55/53/1118575553.db2.gz ITULUIWYPGLHEG-LBPRGKRZSA-N 0 1 369.818 4.418 20 30 FIEDMN C=CCc1ccccc1OC[C@@H](O)CN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000541653172 1118597927 /nfs/dbraw/zinc/59/79/27/1118597927.db2.gz JKERYSZCEQHAGG-WBVHZDCISA-N 0 1 374.550 4.260 20 30 FIEDMN CCOc1c(Cl)cc(NS(=O)(=O)c2ccccc2C#N)cc1Cl ZINC000464536832 1118599088 /nfs/dbraw/zinc/59/90/88/1118599088.db2.gz IRQJHCNKASFWGU-UHFFFAOYSA-N 0 1 371.245 4.065 20 30 FIEDMN C=CCOc1ccccc1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464555676 1118602333 /nfs/dbraw/zinc/60/23/33/1118602333.db2.gz OMCZVYASFNLLOM-UHFFFAOYSA-N 0 1 372.222 4.143 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](c3ccccc3)C2)c1 ZINC000302952259 1118726461 /nfs/dbraw/zinc/72/64/61/1118726461.db2.gz DNNKXGNADLURKN-NRFANRHFSA-N 0 1 361.489 4.040 20 30 FIEDMN C[C@@H]1CC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000151614682 1118946126 /nfs/dbraw/zinc/94/61/26/1118946126.db2.gz KXISUAHFIMPXLG-NQBHXWOUSA-N 0 1 353.249 4.467 20 30 FIEDMN N#CC(C(=O)c1cncc(F)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000151879230 1118997053 /nfs/dbraw/zinc/99/70/53/1118997053.db2.gz PXDIGSXJCNKSTA-NSHDSACASA-N 0 1 359.332 4.112 20 30 FIEDMN CCCCNC(=O)c1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271971097 1119056894 /nfs/dbraw/zinc/05/68/94/1119056894.db2.gz UOEFEBNZDRZHJT-OAHLLOKOSA-N 0 1 353.441 4.078 20 30 FIEDMN COc1ccc(CNCc2ccc(C#N)c(C)c2)c(OC2CCCC2)c1 ZINC000443989671 1119170903 /nfs/dbraw/zinc/17/09/03/1119170903.db2.gz PKEZYFYYGSEWSY-UHFFFAOYSA-N 0 1 350.462 4.487 20 30 FIEDMN CC[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(F)ccc1F ZINC000492756379 1119184853 /nfs/dbraw/zinc/18/48/53/1119184853.db2.gz IBVKFHFCTXPKNV-PMACEKPBSA-N 0 1 369.415 4.073 20 30 FIEDMN N#C[C@@H](C(=O)c1ccn(C2CCCC2)n1)c1nc2ccccc2n1C(F)F ZINC000177694124 1119346851 /nfs/dbraw/zinc/34/68/51/1119346851.db2.gz MQQOVEASPQFASY-ZDUSSCGKSA-N 0 1 369.375 4.233 20 30 FIEDMN N#CC(C(=O)c1ccn(C2CCCC2)n1)c1nc2ccccc2n1C(F)F ZINC000177694124 1119346857 /nfs/dbraw/zinc/34/68/57/1119346857.db2.gz MQQOVEASPQFASY-ZDUSSCGKSA-N 0 1 369.375 4.233 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)n1 ZINC000177772862 1119350424 /nfs/dbraw/zinc/35/04/24/1119350424.db2.gz BUSZRARJRTZJES-UHOFOFEASA-N 0 1 367.474 4.351 20 30 FIEDMN CC[C@H](C#N)Oc1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761527281 1119409786 /nfs/dbraw/zinc/40/97/86/1119409786.db2.gz RGPLUOJZVNFCNO-OAHLLOKOSA-N 0 1 359.813 4.219 20 30 FIEDMN CC(C)N(Cc1cnn(Cc2ccccc2)c1)Cc1ccc(C#N)c(F)c1 ZINC001168459218 1119468927 /nfs/dbraw/zinc/46/89/27/1119468927.db2.gz QZENMNITFSNEFX-UHFFFAOYSA-N 0 1 362.452 4.353 20 30 FIEDMN C=CCOc1ccc(CNC(C)(C)c2nc3ccccc3n2C)cc1OC ZINC000185641397 1119678504 /nfs/dbraw/zinc/67/85/04/1119678504.db2.gz IXSQFEYXCODADI-UHFFFAOYSA-N 0 1 365.477 4.172 20 30 FIEDMN C/C(=C/c1ccccc1)CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000494267791 1119817026 /nfs/dbraw/zinc/81/70/26/1119817026.db2.gz JQDGALCJNIPPOL-BAJRHXEMSA-N 0 1 361.489 4.357 20 30 FIEDMN CCN(CC)[C@H](C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000609201138 1119854699 /nfs/dbraw/zinc/85/46/99/1119854699.db2.gz YOBIFIJOKNSQIQ-NRFANRHFSA-N 0 1 365.477 4.391 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000494428661 1119857299 /nfs/dbraw/zinc/85/72/99/1119857299.db2.gz DXJUSMOIOCNJHG-UHFFFAOYSA-N 0 1 360.442 4.196 20 30 FIEDMN COc1cc(Br)ccc1[C@@H](C)NCc1cc(C#N)cs1 ZINC000190445262 1119937840 /nfs/dbraw/zinc/93/78/40/1119937840.db2.gz BAYBNRNGASGISG-SNVBAGLBSA-N 0 1 351.269 4.242 20 30 FIEDMN N#CC(C(=O)c1csc(C2CC2)n1)c1nc2ccccc2n1C(F)F ZINC000194990449 1120330157 /nfs/dbraw/zinc/33/01/57/1120330157.db2.gz UQTCETSUCXZSMH-JTQLQIEISA-N 0 1 358.373 4.255 20 30 FIEDMN N#C[C@@H](C(=O)c1csc(C2CC2)n1)c1nc2ccccc2n1C(F)F ZINC000194990449 1120330162 /nfs/dbraw/zinc/33/01/62/1120330162.db2.gz UQTCETSUCXZSMH-JTQLQIEISA-N 0 1 358.373 4.255 20 30 FIEDMN C=CCC[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)c1ccccc1 ZINC000494902059 1120364629 /nfs/dbraw/zinc/36/46/29/1120364629.db2.gz BZASNLXDLHLIFR-YADHBBJMSA-N 0 1 366.505 4.164 20 30 FIEDMN Cc1ccc2c(C)cc(NN=Cc3cnc(C4OCCO4)s3)nc2c1C ZINC000761777318 1120389536 /nfs/dbraw/zinc/38/95/36/1120389536.db2.gz JIXIBKIOVAWKMV-UHFFFAOYSA-N 0 1 368.462 4.108 20 30 FIEDMN Cc1ccccc1C(C)N=Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000914700133 1120476073 /nfs/dbraw/zinc/47/60/73/1120476073.db2.gz TWYBCMFKHVFDEV-UHFFFAOYSA-N 0 1 356.369 4.125 20 30 FIEDMN CCc1sc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1Br ZINC000495220525 1120548561 /nfs/dbraw/zinc/54/85/61/1120548561.db2.gz LVIQUKDWYCSPMF-SECBINFHSA-N 0 1 374.263 4.439 20 30 FIEDMN CCc1sc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1Br ZINC000495220525 1120548563 /nfs/dbraw/zinc/54/85/63/1120548563.db2.gz LVIQUKDWYCSPMF-SECBINFHSA-N 0 1 374.263 4.439 20 30 FIEDMN CN1CC[C@H](C/N=C/c2cccc(O)c2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762438391 1120909164 /nfs/dbraw/zinc/90/91/64/1120909164.db2.gz ZCOKXONACUKMTK-WYUXGWHISA-N 0 1 362.832 4.002 20 30 FIEDMN CC(=Cc1ccc(Oc2cccnc2)c(C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193609641 1120981796 /nfs/dbraw/zinc/98/17/96/1120981796.db2.gz XCQZIUHKSZWRLN-UVTDQMKNSA-N 0 1 358.401 4.006 20 30 FIEDMN COc1ccccc1-c1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1 ZINC000193611019 1120981867 /nfs/dbraw/zinc/98/18/67/1120981867.db2.gz YCHPREOKFWEHGY-WYMLVPIESA-N 0 1 357.413 4.186 20 30 FIEDMN CC(=Cc1ccc(Cl)c(C(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193610228 1120981890 /nfs/dbraw/zinc/98/18/90/1120981890.db2.gz JALMXMKZCGMCNI-YVMONPNESA-N 0 1 353.731 4.183 20 30 FIEDMN CC(=Cc1ccc(-c2nc3ccccc3s2)o1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193614878 1120985883 /nfs/dbraw/zinc/98/58/83/1120985883.db2.gz DSGQQNKLMVZNEE-PKNBQFBNSA-N 0 1 374.425 4.380 20 30 FIEDMN CC(C)(C(=O)C(C#N)c1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1F ZINC000762997136 1121078998 /nfs/dbraw/zinc/07/89/98/1121078998.db2.gz UWVUOTVDIDIGTE-LBPRGKRZSA-N 0 1 367.336 4.029 20 30 FIEDMN N#CC(C(=O)[C@H]1CCCN1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000763041396 1121097091 /nfs/dbraw/zinc/09/70/91/1121097091.db2.gz MUVJQRBVZGRXND-DENIHFKCSA-N 0 1 355.441 4.076 20 30 FIEDMN CC(N=Nc1cnnc2ccccc12)c1ccc(F)cc1Br ZINC000763174695 1121217954 /nfs/dbraw/zinc/21/79/54/1121217954.db2.gz AINIMEJVQNQDCJ-UHFFFAOYSA-N 0 1 359.202 4.368 20 30 FIEDMN N#Cc1ccc([C@H](O)CN2CCC[C@H]2c2ccc(Br)cc2)cc1 ZINC000763232677 1121299761 /nfs/dbraw/zinc/29/97/61/1121299761.db2.gz AOANZWAITOBLJS-RBUKOAKNSA-N 0 1 371.278 4.191 20 30 FIEDMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OC(F)F ZINC000915918862 1121349149 /nfs/dbraw/zinc/34/91/49/1121349149.db2.gz ONFYGVZDBBZYCQ-UHFFFAOYSA-N 0 1 361.270 4.156 20 30 FIEDMN Cc1cc(O)cc2c1C(=O)C(=NN=C1c3ccccc3-c3ccccc31)O2 ZINC000915957448 1121353725 /nfs/dbraw/zinc/35/37/25/1121353725.db2.gz ZALFHYXEUGUCPY-UHFFFAOYSA-N 0 1 354.365 4.107 20 30 FIEDMN Cn1c(N=NC=CC2N(C)c3ccccc3C2(C)C)nnc1-c1ccccc1 ZINC000915968775 1121357501 /nfs/dbraw/zinc/35/75/01/1121357501.db2.gz XCVIGJGBPTZZBK-TUNHWAAVSA-N 0 1 372.476 4.191 20 30 FIEDMN Cc1cc(NN=Cc2cc(Cl)ccc2OCc2cccnc2)nc(C)n1 ZINC000915968135 1121357837 /nfs/dbraw/zinc/35/78/37/1121357837.db2.gz UQCJQDVNRAINES-UHFFFAOYSA-N 0 1 367.840 4.167 20 30 FIEDMN O=C1CCCN1c1cccc(C/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000915979509 1121360057 /nfs/dbraw/zinc/36/00/57/1121360057.db2.gz HOTFAWMHBUPLOB-SRZZPIQSSA-N 0 1 363.244 4.445 20 30 FIEDMN COC(=O)c1ccccc1-c1ccc(C=NNc2ccccc2[N+](=O)[O-])o1 ZINC000916250074 1121457471 /nfs/dbraw/zinc/45/74/71/1121457471.db2.gz IZENAVPUIKXUGP-UHFFFAOYSA-N 0 1 365.345 4.087 20 30 FIEDMN Fc1cc(Br)ccc1C=NNc1ncnc2sccc21 ZINC000916367982 1121482388 /nfs/dbraw/zinc/48/23/88/1121482388.db2.gz DWNRKWYZQKXDPJ-UHFFFAOYSA-N 0 1 351.204 4.039 20 30 FIEDMN N#Cc1ccc([C@@H](O)CN(Cc2c(F)cccc2F)C2CCCC2)cc1 ZINC000763401821 1121574528 /nfs/dbraw/zinc/57/45/28/1121574528.db2.gz DGKJLIDNWBQDOZ-NRFANRHFSA-N 0 1 356.416 4.315 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2sccc2OC)ccc1OC ZINC000186211213 1121753296 /nfs/dbraw/zinc/75/32/96/1121753296.db2.gz MYNLFVSQMYCHIC-DZGCQCFKSA-N 0 1 360.479 4.297 20 30 FIEDMN N#CC(C(=O)C=Cc1cnc2ccccc2n1)c1nc2ccccc2s1 ZINC000916846258 1121886445 /nfs/dbraw/zinc/88/64/45/1121886445.db2.gz NTKMBXNVGITOQZ-CFYYFVFUSA-N 0 1 356.410 4.129 20 30 FIEDMN N#CC(C(=O)C=Cc1cnc2ccccc2n1)c1nc2ccccc2s1 ZINC000916846260 1121886528 /nfs/dbraw/zinc/88/65/28/1121886528.db2.gz NTKMBXNVGITOQZ-HBWSCVEGSA-N 0 1 356.410 4.129 20 30 FIEDMN N#CC(C(=O)CSc1ccc2ccccc2c1)C(=O)NC1CCCCC1 ZINC000916893572 1121912084 /nfs/dbraw/zinc/91/20/84/1121912084.db2.gz DGGGSCJGHKQEMC-IBGZPJMESA-N 0 1 366.486 4.090 20 30 FIEDMN CC[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)N(C)C ZINC000126649184 1121972822 /nfs/dbraw/zinc/97/28/22/1121972822.db2.gz UXRQQXYHDUHBQN-HKUYNNGSSA-N 0 1 355.869 4.274 20 30 FIEDMN COc1c(Br)cccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000553261449 1122055398 /nfs/dbraw/zinc/05/53/98/1122055398.db2.gz CHEXESVYVNETHE-GOSISDBHSA-N 0 1 371.278 4.497 20 30 FIEDMN CC(C)Oc1cc(Br)ccc1C(=O)C(C#N)c1ccccn1 ZINC000066506912 1122069672 /nfs/dbraw/zinc/06/96/72/1122069672.db2.gz JLVVKOBOCNPUBV-AWEZNQCLSA-N 0 1 359.223 4.121 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cccc(CC#N)c3)n2)cc1 ZINC000066543533 1122071971 /nfs/dbraw/zinc/07/19/71/1122071971.db2.gz XRLHPJJXBJWDLI-SFHVURJKSA-N 0 1 373.437 4.375 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cccc(C#N)c3)n2)cc1 ZINC000066543844 1122072741 /nfs/dbraw/zinc/07/27/41/1122072741.db2.gz SFOKWSDMUJVZDL-QGZVFWFLSA-N 0 1 359.410 4.180 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1C ZINC000066544689 1122073065 /nfs/dbraw/zinc/07/30/65/1122073065.db2.gz YJWUDAQJOOXLKG-QGZVFWFLSA-N 0 1 373.437 4.489 20 30 FIEDMN C=CCN(CC(=O)NCCC(c1ccccc1)c1ccccc1)C(C)C ZINC000917071556 1122079105 /nfs/dbraw/zinc/07/91/05/1122079105.db2.gz VVSSEZQFRWXVKP-UHFFFAOYSA-N 0 1 350.506 4.221 20 30 FIEDMN CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000066814229 1122098778 /nfs/dbraw/zinc/09/87/78/1122098778.db2.gz VUWZNUVCZKVWBE-ZDUSSCGKSA-N 0 1 374.487 4.084 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000066814049 1122098831 /nfs/dbraw/zinc/09/88/31/1122098831.db2.gz ARUBBGLFUSPWQK-NSHDSACASA-N 0 1 368.430 4.160 20 30 FIEDMN COc1cc(Cl)cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000497360834 1122147654 /nfs/dbraw/zinc/14/76/54/1122147654.db2.gz DXPGYJYSEWNXMR-OAHLLOKOSA-N 0 1 369.833 4.357 20 30 FIEDMN COc1cc(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000497360834 1122147658 /nfs/dbraw/zinc/14/76/58/1122147658.db2.gz DXPGYJYSEWNXMR-OAHLLOKOSA-N 0 1 369.833 4.357 20 30 FIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1ccc(N2CCOCC2)cc1 ZINC000917146253 1122204450 /nfs/dbraw/zinc/20/44/50/1122204450.db2.gz XARPZEXGAJABDH-XFXZXTDPSA-N 0 1 373.456 4.118 20 30 FIEDMN CCCCCCCCC(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000917208864 1122224324 /nfs/dbraw/zinc/22/43/24/1122224324.db2.gz UNNWWWZQDYXQCC-UHFFFAOYSA-N 0 1 358.486 4.089 20 30 FIEDMN COc1ccc([C@H]2C[C@@H](N(CCC#N)Cc3ccccc3)CCO2)cc1 ZINC001168632330 1122227237 /nfs/dbraw/zinc/22/72/37/1122227237.db2.gz ZQISFJOTFJWFJZ-RBBKRZOGSA-N 0 1 350.462 4.331 20 30 FIEDMN O=c1ncccn1Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 ZINC000917559626 1122352848 /nfs/dbraw/zinc/35/28/48/1122352848.db2.gz SEQYDVFGPGPLFZ-UHFFFAOYSA-N 0 1 374.227 4.055 20 30 FIEDMN COc1cc(C=NN[C@H](C)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1O ZINC000917552063 1122358970 /nfs/dbraw/zinc/35/89/70/1122358970.db2.gz NNDIPKSBNYBDFV-CYBMUJFWSA-N 0 1 357.410 4.117 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(OC(F)F)c(F)c3)[nH]c21 ZINC000497868360 1122446571 /nfs/dbraw/zinc/44/65/71/1122446571.db2.gz KWRKTKZSIWKVNX-LLVKDONJSA-N 0 1 359.307 4.102 20 30 FIEDMN O=C(C/N=C/c1cc(Cl)cc(Cl)c1O)Nc1ccc(Cl)cc1 ZINC000920173256 1123402798 /nfs/dbraw/zinc/40/27/98/1123402798.db2.gz PLDMPLQGDCFFPR-FBCYGCLPSA-N 0 1 357.624 4.410 20 30 FIEDMN Oc1c(Cl)cc(Cl)cc1/C=N\Cc1ccc(N2CCOCC2)cc1 ZINC000920174501 1123403613 /nfs/dbraw/zinc/40/36/13/1123403613.db2.gz NSDQOHHBKKHZKD-MTJSOVHGSA-N 0 1 365.260 4.155 20 30 FIEDMN Cc1ccc2c(C)cc(=NN=Cc3cn(C)nc3-c3ccncc3)[nH]c2c1C ZINC000920369458 1123448394 /nfs/dbraw/zinc/44/83/94/1123448394.db2.gz YGJUTSFDXYWARP-UHFFFAOYSA-N 0 1 370.460 4.402 20 30 FIEDMN C=CCCOCC(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000920792734 1123520156 /nfs/dbraw/zinc/52/01/56/1123520156.db2.gz YTRJRAGCOWXISK-HQHQJUQOSA-N 0 1 370.518 4.380 20 30 FIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000920877719 1123533425 /nfs/dbraw/zinc/53/34/25/1123533425.db2.gz NEVQYLPKWDZQEP-MRXNPFEDSA-N 0 1 363.392 4.064 20 30 FIEDMN COc1ccc([C@H](C)NCc2cccc(OCCCC#N)c2)c(OC)c1 ZINC000237251974 1123609415 /nfs/dbraw/zinc/60/94/15/1123609415.db2.gz VOMJRSXHXKYURB-INIZCTEOSA-N 0 1 354.450 4.237 20 30 FIEDMN COc1cc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)ccc1OC(F)F ZINC000175320928 1123820482 /nfs/dbraw/zinc/82/04/82/1123820482.db2.gz GRCHIASJWAPJSU-DUXPYHPUSA-N 0 1 356.271 4.177 20 30 FIEDMN O=C(COc1cc(Cl)cc(Cl)c1)Nc1nc(-c2ccco2)n[nH]1 ZINC000079988435 1123942136 /nfs/dbraw/zinc/94/21/36/1123942136.db2.gz KGEDHVFEBIXQJR-UHFFFAOYSA-N 0 1 353.165 4.039 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000067895626 1123983047 /nfs/dbraw/zinc/98/30/47/1123983047.db2.gz MRPFJQRTWNKCMT-AWEZNQCLSA-N 0 1 356.447 4.107 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(CSCC)cc2)n1 ZINC000067897322 1123987195 /nfs/dbraw/zinc/98/71/95/1123987195.db2.gz YSSQRYQKJOJVFQ-AWEZNQCLSA-N 0 1 374.487 4.063 20 30 FIEDMN CC(C)C[C@H]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000245495466 1124055425 /nfs/dbraw/zinc/05/54/25/1124055425.db2.gz PNEKBQGSAHTSAZ-IAGOWNOFSA-N 0 1 359.539 4.245 20 30 FIEDMN Cc1ccc(CN(C)Cc2cccc(OCc3ccccc3C#N)c2)nc1 ZINC000616152080 1124250280 /nfs/dbraw/zinc/25/02/80/1124250280.db2.gz LJDNSUPCNNJFPT-UHFFFAOYSA-N 0 1 357.457 4.473 20 30 FIEDMN C[C@@H](N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(C#N)c1 ZINC000542776544 1124254516 /nfs/dbraw/zinc/25/45/16/1124254516.db2.gz LZSIABFZWIODDH-XIKOKIGWSA-N 0 1 374.271 4.321 20 30 FIEDMN N#Cc1cc(NC2CCN(Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301784246 1124260555 /nfs/dbraw/zinc/26/05/55/1124260555.db2.gz KTPCIALSGCAZFN-UHFFFAOYSA-N 0 1 370.840 4.196 20 30 FIEDMN CN(C)Cc1ccc(CNc2ccc(C(F)(F)F)cc2C#N)cc1F ZINC000301900973 1124269289 /nfs/dbraw/zinc/26/92/89/1124269289.db2.gz ZQGPOQDGYHAXKQ-UHFFFAOYSA-N 0 1 351.347 4.390 20 30 FIEDMN N#Cc1ccc(OC2CCC(Nc3ccnc4cc(F)ccc43)CC2)nc1 ZINC000301935463 1124271390 /nfs/dbraw/zinc/27/13/90/1124271390.db2.gz RKEMNEWVANOZRZ-UHFFFAOYSA-N 0 1 362.408 4.443 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4ncc(C#N)cc4Cl)C3)[nH]c2c1 ZINC000302111262 1124284770 /nfs/dbraw/zinc/28/47/70/1124284770.db2.gz AMKOMNCIOFLEKP-AWEZNQCLSA-N 0 1 351.841 4.175 20 30 FIEDMN CN(Cc1ccco1)Cc1ccccc1CNc1nc2ccccn2c1C#N ZINC000302191380 1124293897 /nfs/dbraw/zinc/29/38/97/1124293897.db2.gz RBDZZRQLCMIFBM-UHFFFAOYSA-N 0 1 371.444 4.043 20 30 FIEDMN COc1cc([C@H](C)NCc2ccc(C#N)cn2)ccc1OCCC(C)C ZINC000554360149 1124329217 /nfs/dbraw/zinc/32/92/17/1124329217.db2.gz ZQIAFOBCCCLJOW-INIZCTEOSA-N 0 1 353.466 4.238 20 30 FIEDMN CCc1ccc(CN(C)C(=O)CN(CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000507702022 1124347228 /nfs/dbraw/zinc/34/72/28/1124347228.db2.gz BAQJFNJCBBZZGL-SFHVURJKSA-N 0 1 363.505 4.162 20 30 FIEDMN N#Cc1cc(F)c(NC[C@@H]2CCN2Cc2ccccc2)cc1Br ZINC000715662029 1124461923 /nfs/dbraw/zinc/46/19/23/1124461923.db2.gz PUJHNADNYKKPBR-HNNXBMFYSA-N 0 1 374.257 4.146 20 30 FIEDMN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075749917 1124920102 /nfs/dbraw/zinc/92/01/02/1124920102.db2.gz XRPZQDOUUBTKEW-CQSZACIVSA-N 0 1 366.852 4.325 20 30 FIEDMN C[C@H](NCC(=O)NCc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542945247 1124942239 /nfs/dbraw/zinc/94/22/39/1124942239.db2.gz NLHSFRUUMDOVCK-SFHVURJKSA-N 0 1 369.468 4.192 20 30 FIEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000063878692 1124960346 /nfs/dbraw/zinc/96/03/46/1124960346.db2.gz SLEQGNOMHXJUKN-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN Cc1nc2c(s1)[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)CCC2 ZINC000090180610 1124987790 /nfs/dbraw/zinc/98/77/90/1124987790.db2.gz WSJLDADBWSDYTF-OAHLLOKOSA-N 0 1 350.409 4.489 20 30 FIEDMN C[C@H](NCc1ccc(OCCOc2ccccc2)nc1)c1cccc(C#N)c1 ZINC000181535348 1124998876 /nfs/dbraw/zinc/99/88/76/1124998876.db2.gz GYQQKXYELVEJEH-SFHVURJKSA-N 0 1 373.456 4.262 20 30 FIEDMN O=C(CSCC(F)(F)F)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000090633978 1125010253 /nfs/dbraw/zinc/01/02/53/1125010253.db2.gz ZICIWESBCATKHZ-UHFFFAOYSA-N 0 1 350.753 4.009 20 30 FIEDMN CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000090665096 1125012353 /nfs/dbraw/zinc/01/23/53/1125012353.db2.gz OWLLHCHCBMUHDY-OXJNMPFZSA-N 0 1 371.506 4.144 20 30 FIEDMN C=C(Cl)COc1ccc([C@@H](C)NCc2cn(C)nc2C(F)(F)F)cc1 ZINC000181579248 1125032695 /nfs/dbraw/zinc/03/26/95/1125032695.db2.gz HQLRGMNBFBBHMF-GFCCVEGCSA-N 0 1 373.806 4.421 20 30 FIEDMN COC[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc(F)c(F)c1 ZINC000091070996 1125039765 /nfs/dbraw/zinc/03/97/65/1125039765.db2.gz ZBEVWFAUVURVOM-HXUWFJFHSA-N 0 1 360.404 4.125 20 30 FIEDMN C=CCCCN(C)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000076973299 1125081024 /nfs/dbraw/zinc/08/10/24/1125081024.db2.gz IYVJVOZOJBTMTB-UHFFFAOYSA-N 0 1 363.933 4.160 20 30 FIEDMN C=CCc1cc(CN(C)[C@@H]2CCCc3nc(C)sc32)cc(OC)c1O ZINC000093364962 1125314913 /nfs/dbraw/zinc/31/49/13/1125314913.db2.gz RXFRTHDLQQPQAS-QGZVFWFLSA-N 0 1 358.507 4.404 20 30 FIEDMN CCCCCCCCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000105743331 222374613 /nfs/dbraw/zinc/37/46/13/222374613.db2.gz NWWSCHLFIPXFAD-UHFFFAOYSA-N 0 1 355.526 4.343 20 30 FIEDMN CC[C@@H](CN(CC)CC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000481769990 568119494 /nfs/dbraw/zinc/11/94/94/568119494.db2.gz VYMNHEZMCFYSDJ-KRWDZBQOSA-N 0 1 353.466 4.222 20 30 FIEDMN N#CC(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2s1 ZINC000603846332 568157543 /nfs/dbraw/zinc/15/75/43/568157543.db2.gz PHNLFQJHVHNHDD-LBPRGKRZSA-N 0 1 357.778 4.348 20 30 FIEDMN N#C[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2s1 ZINC000603846332 568157544 /nfs/dbraw/zinc/15/75/44/568157544.db2.gz PHNLFQJHVHNHDD-LBPRGKRZSA-N 0 1 357.778 4.348 20 30 FIEDMN N#CC(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc2ccccc2n1 ZINC000603835663 568159210 /nfs/dbraw/zinc/15/92/10/568159210.db2.gz FWUNSSBAPYMZLJ-HNNXBMFYSA-N 0 1 357.325 4.379 20 30 FIEDMN COc1cc2c(cc1CN[C@H]1CCCCc3cc(C#N)ccc31)O[C@@H](C)C2 ZINC000481918002 568183569 /nfs/dbraw/zinc/18/35/69/568183569.db2.gz QECXAXAIPMOZAM-BTYIYWSLSA-N 0 1 362.473 4.448 20 30 FIEDMN C=CCOc1cccc(CN[C@](C)(CO)c2cccc(C(F)(F)F)c2)c1 ZINC000604767697 568362398 /nfs/dbraw/zinc/36/23/98/568362398.db2.gz VVZXLQJBMXQMIC-LJQANCHMSA-N 0 1 365.395 4.268 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4c(F)cc(C#N)cc4F)C3)[nH]c2c1 ZINC000570014808 568440753 /nfs/dbraw/zinc/44/07/53/568440753.db2.gz JTLOTZJJMZUGBQ-CQSZACIVSA-N 0 1 352.388 4.405 20 30 FIEDMN Cc1ccccc1-n1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000112222440 1125543776 /nfs/dbraw/zinc/54/37/76/1125543776.db2.gz WETDOIHCNKVPRQ-OAHLLOKOSA-N 0 1 370.334 4.085 20 30 FIEDMN N#CC1CCC(CN2CCN(c3c(Cl)cccc3Cl)CC2)CC1 ZINC001307663066 1125566924 /nfs/dbraw/zinc/56/69/24/1125566924.db2.gz YMJTVRKJBODILD-UHFFFAOYSA-N 0 1 352.309 4.445 20 30 FIEDMN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc(Br)cn1 ZINC000619512546 1125608768 /nfs/dbraw/zinc/60/87/68/1125608768.db2.gz DTLRDQOUOBNOLB-ZDUSSCGKSA-N 0 1 358.283 4.496 20 30 FIEDMN Cc1cc([C@@H]2CCCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)C2)[nH]n1 ZINC000619746308 1125690411 /nfs/dbraw/zinc/69/04/11/1125690411.db2.gz LNNUAWSICAQUHQ-GFCCVEGCSA-N 0 1 369.831 4.315 20 30 FIEDMN Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)c2ccsc2)ccc1Cl ZINC000619782556 1125695168 /nfs/dbraw/zinc/69/51/68/1125695168.db2.gz CTWQYMIPHMXROJ-AWEZNQCLSA-N 0 1 361.898 4.307 20 30 FIEDMN N#CC(C(=O)C1(c2ccc(Br)cc2)CCC1)c1ccccn1 ZINC000049457392 1079533926 /nfs/dbraw/zinc/53/39/26/1079533926.db2.gz BZZZESBJBJKNNA-HNNXBMFYSA-N 0 1 355.235 4.142 20 30 FIEDMN N#Cc1ccc2c(c1)[C@H](NCc1ccncc1OCc1ccccc1)CC2 ZINC000579770115 1079645661 /nfs/dbraw/zinc/64/56/61/1079645661.db2.gz HHIVIUGPNPREGC-JOCHJYFZSA-N 0 1 355.441 4.309 20 30 FIEDMN C=CCCC[C@@H](C)NCc1ncc(Br)cc1Br ZINC000398179187 1080822172 /nfs/dbraw/zinc/82/21/72/1080822172.db2.gz NINXPOAALLHEPH-SNVBAGLBSA-N 0 1 362.109 4.441 20 30 FIEDMN CCN(Cc1c(C)nn(-c2ccccn2)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000580221705 1081757686 /nfs/dbraw/zinc/75/76/86/1081757686.db2.gz XLVPCBBNBZRNIN-KRWDZBQOSA-N 0 1 359.477 4.339 20 30 FIEDMN N#Cc1ccc(CN[C@H]2CCOc3c(F)cccc32)c(C(F)(F)F)c1 ZINC000580487192 1081974758 /nfs/dbraw/zinc/97/47/58/1081974758.db2.gz LOXNWGFQZVSCEH-INIZCTEOSA-N 0 1 350.315 4.330 20 30 FIEDMN COc1cc(CNCc2cn(-c3ccccc3)nc2C(C)C)ccc1C#N ZINC000580803945 1082148973 /nfs/dbraw/zinc/14/89/73/1082148973.db2.gz ZDCPUYOHVZCCFZ-UHFFFAOYSA-N 0 1 360.461 4.166 20 30 FIEDMN COc1cc([C@H](C)NCc2ccc(C#N)cc2F)ccc1OC(F)F ZINC000177857224 1082230613 /nfs/dbraw/zinc/23/06/13/1082230613.db2.gz JSKQDRKRHUDUFJ-NSHDSACASA-N 0 1 350.340 4.158 20 30 FIEDMN CCCN(C(=O)c1cc(C#N)cs1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000084091479 1082249258 /nfs/dbraw/zinc/24/92/58/1082249258.db2.gz VSWLFCRJZLTIJE-IBGZPJMESA-N 0 1 367.518 4.137 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cnn(CC(C)C)c2-c2ccccc2)n1 ZINC000581643978 1082738050 /nfs/dbraw/zinc/73/80/50/1082738050.db2.gz XSSCDCSJHMXWFZ-MRXNPFEDSA-N 0 1 364.474 4.461 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2ccccc2)c1C ZINC000051180611 1082831347 /nfs/dbraw/zinc/83/13/47/1082831347.db2.gz VJUSIWBUTBOONR-JOCHJYFZSA-N 0 1 361.489 4.387 20 30 FIEDMN C=CCN1C(=O)CC[C@@]12CCCN(Cc1c(F)cccc1Cl)CC2 ZINC001203402824 1082859336 /nfs/dbraw/zinc/85/93/36/1082859336.db2.gz FNYDUAXUYQAZPG-LJQANCHMSA-N 0 1 350.865 4.012 20 30 FIEDMN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(-c2ccccc2)n[nH]1 ZINC000023881773 1082889053 /nfs/dbraw/zinc/88/90/53/1082889053.db2.gz PDBDUZYNRSKDME-UHFFFAOYSA-N 0 1 364.408 4.124 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3cc(C)cc(C#N)c3)[nH]c2c1 ZINC000581868328 1082941237 /nfs/dbraw/zinc/94/12/37/1082941237.db2.gz YVSJMPHVWHGKEP-LJQANCHMSA-N 0 1 359.433 4.420 20 30 FIEDMN CC(C)Oc1ccccc1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000510469640 1082945521 /nfs/dbraw/zinc/94/55/21/1082945521.db2.gz PBHHHIWYZKUPDV-UHFFFAOYSA-N 0 1 350.462 4.389 20 30 FIEDMN C=C(C)COc1cccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000471909668 1083302497 /nfs/dbraw/zinc/30/24/97/1083302497.db2.gz IMMMFXYGUINLHC-UHFFFAOYSA-N 0 1 360.410 4.063 20 30 FIEDMN CC(C)[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1nncn1C ZINC000510917800 1083402222 /nfs/dbraw/zinc/40/22/22/1083402222.db2.gz CJYQEABSRKYXBE-OAQYLSRUSA-N 0 1 373.504 4.002 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCC(C)(C)C2)cc1Cl ZINC000179383256 1083440607 /nfs/dbraw/zinc/44/06/07/1083440607.db2.gz ZSWPXTQOPLPUTM-GXTWGEPZSA-N 0 1 362.857 4.212 20 30 FIEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000277077116 1083736099 /nfs/dbraw/zinc/73/60/99/1083736099.db2.gz RLSXPHCYBYRFEC-CHWSQXEVSA-N 0 1 354.458 4.002 20 30 FIEDMN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)s1 ZINC000535848749 1083790848 /nfs/dbraw/zinc/79/08/48/1083790848.db2.gz VMJANHZBCXATNL-HRAATJIYSA-N 0 1 368.550 4.056 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)CC(F)F)cc1Cl ZINC000892498682 1083838878 /nfs/dbraw/zinc/83/88/78/1083838878.db2.gz LYKLYOFFVPDBDH-NSHDSACASA-N 0 1 372.799 4.067 20 30 FIEDMN C[C@@H](NC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000548936078 1083883475 /nfs/dbraw/zinc/88/34/75/1083883475.db2.gz JNOPGXRSCMVRTO-XHSDSOJGSA-N 0 1 361.445 4.221 20 30 FIEDMN COc1ccc(CN(C)Cc2cccc(OCc3cccc(C#N)c3)c2)cn1 ZINC000612586874 1083928826 /nfs/dbraw/zinc/92/88/26/1083928826.db2.gz WINBEPOWMWOQJR-UHFFFAOYSA-N 0 1 373.456 4.173 20 30 FIEDMN CC(C)(C)c1nc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cs1 ZINC000236726611 1083941733 /nfs/dbraw/zinc/94/17/33/1083941733.db2.gz OPMQZDXZNNSOJP-OAHLLOKOSA-N 0 1 372.513 4.210 20 30 FIEDMN CCn1ncc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1C1CC1 ZINC000892538858 1084609199 /nfs/dbraw/zinc/60/91/99/1084609199.db2.gz PHBMLFAFIRSFBJ-GFCCVEGCSA-N 0 1 369.375 4.015 20 30 FIEDMN CCn1ncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1C1CC1 ZINC000892538858 1084609205 /nfs/dbraw/zinc/60/92/05/1084609205.db2.gz PHBMLFAFIRSFBJ-GFCCVEGCSA-N 0 1 369.375 4.015 20 30 FIEDMN N#CC(C(=O)C[C@@H]1CCC2(CCC2)O1)c1nc2ccccc2n1C(F)F ZINC000892539112 1084618141 /nfs/dbraw/zinc/61/81/41/1084618141.db2.gz UDRVOBQYZNPSTR-QWHCGFSZSA-N 0 1 359.376 4.099 20 30 FIEDMN CCN(Cc1ccc(OC)c(OC)c1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000119856850 1084663208 /nfs/dbraw/zinc/66/32/08/1084663208.db2.gz XKDFYCKLXJCRAX-HNNXBMFYSA-N 0 1 354.450 4.167 20 30 FIEDMN N#CC(C(=O)CC1CCSCC1)C(=O)Nc1cccc2ccccc21 ZINC000134975977 1084694541 /nfs/dbraw/zinc/69/45/41/1084694541.db2.gz AKNXATFTCWJBHZ-QGZVFWFLSA-N 0 1 352.459 4.020 20 30 FIEDMN N#Cc1cccc(COc2cccc(CN3CCC[C@@H](OC(F)F)C3)c2)c1 ZINC000611609562 1085027979 /nfs/dbraw/zinc/02/79/79/1085027979.db2.gz OVZODMLIHHAXSU-HXUWFJFHSA-N 0 1 372.415 4.341 20 30 FIEDMN CCOc1cccc2cc([C@@H](C)NCC(=O)Nc3sccc3C#N)oc21 ZINC000180362301 1085070500 /nfs/dbraw/zinc/07/05/00/1085070500.db2.gz OQILCPZWKSLBPH-GFCCVEGCSA-N 0 1 369.446 4.054 20 30 FIEDMN Cc1cccc2nc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)[nH]c21 ZINC000431462605 1085233506 /nfs/dbraw/zinc/23/35/06/1085233506.db2.gz CBUWDGPFPQPUHD-KRWDZBQOSA-N 0 1 361.449 4.106 20 30 FIEDMN CC(C)n1cc(C2=CCCN(CC#Cc3cccc(Cl)c3)CC2)nn1 ZINC000660717726 1085237296 /nfs/dbraw/zinc/23/72/96/1085237296.db2.gz IVVAQOORMGXAMB-UHFFFAOYSA-N 0 1 354.885 4.043 20 30 FIEDMN CCOc1ccc(N(CCC#N)C(=O)c2[nH]c(-c3ccccc3)nc2C)cc1 ZINC000609413494 1085249781 /nfs/dbraw/zinc/24/97/81/1085249781.db2.gz GHTXRQUZNKTQLB-UHFFFAOYSA-N 0 1 374.444 4.344 20 30 FIEDMN N#CC(C(=O)CCSc1ccccn1)c1nc2ccccc2n1C(F)F ZINC000176726572 1085371021 /nfs/dbraw/zinc/37/10/21/1085371021.db2.gz IGGMCVBBPVSZOM-LBPRGKRZSA-N 0 1 372.400 4.185 20 30 FIEDMN N#CC(C(=O)c1cccc(-n2cccn2)c1)c1nc(-c2ccccc2)cs1 ZINC000117083873 1085423007 /nfs/dbraw/zinc/42/30/07/1085423007.db2.gz HMULQNHZCVRBFE-GOSISDBHSA-N 0 1 370.437 4.486 20 30 FIEDMN C=CC[C@H]1CCCN(Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000661381645 1085539507 /nfs/dbraw/zinc/53/95/07/1085539507.db2.gz NNHLYTRBMKFZHF-INIZCTEOSA-N 0 1 355.507 4.112 20 30 FIEDMN C=CCOc1ccccc1CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000161513731 1085884843 /nfs/dbraw/zinc/88/48/43/1085884843.db2.gz VHXDMCXCOUTDNC-INIZCTEOSA-N 0 1 352.434 4.059 20 30 FIEDMN C=C(C)[C@@H](CC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)OCC ZINC000535920311 1086099166 /nfs/dbraw/zinc/09/91/66/1086099166.db2.gz ZTVMBTBWVXRTAW-IRLDBZIGSA-N 0 1 363.461 4.140 20 30 FIEDMN C=CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000060089847 1086303420 /nfs/dbraw/zinc/30/34/20/1086303420.db2.gz OUWADNMUQDILLM-UHFFFAOYSA-N 0 1 359.882 4.290 20 30 FIEDMN N#Cc1cccc(OCCCSc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000128123585 1086339639 /nfs/dbraw/zinc/33/96/39/1086339639.db2.gz HKOUNMACPIZBHZ-UHFFFAOYSA-N 0 1 354.410 4.044 20 30 FIEDMN O=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC000150826920 1086397765 /nfs/dbraw/zinc/39/77/65/1086397765.db2.gz OUBNQMUAIAKIRB-UHFFFAOYSA-N 0 1 373.249 4.063 20 30 FIEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CCCc1ccccc1 ZINC000052802877 1087167554 /nfs/dbraw/zinc/16/75/54/1087167554.db2.gz BLSORXKLPPENIK-OAHLLOKOSA-N 0 1 367.518 4.000 20 30 FIEDMN Clc1nc(Cl)c(CN=Nc2ncnc3sc4c(c32)CCC4)s1 ZINC000755520727 1087243928 /nfs/dbraw/zinc/24/39/28/1087243928.db2.gz GCHHCDXGSOHSAJ-UHFFFAOYSA-N 0 1 370.290 4.389 20 30 FIEDMN N#Cc1ccc(CNc2nccn2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000584324296 1087267653 /nfs/dbraw/zinc/26/76/53/1087267653.db2.gz JUQJNDKZJPLHQH-UHFFFAOYSA-N 0 1 356.351 4.434 20 30 FIEDMN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cc(C#N)ccc1O ZINC000176830826 1087291503 /nfs/dbraw/zinc/29/15/03/1087291503.db2.gz LPNBQOMVMAGRRE-UHFFFAOYSA-N 0 1 367.405 4.011 20 30 FIEDMN CCCn1ncc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000161900748 1087475231 /nfs/dbraw/zinc/47/52/31/1087475231.db2.gz ARWIIMGIAMXAHI-ZDUSSCGKSA-N 0 1 362.355 4.074 20 30 FIEDMN CCCn1ncc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000161900748 1087475235 /nfs/dbraw/zinc/47/52/35/1087475235.db2.gz ARWIIMGIAMXAHI-ZDUSSCGKSA-N 0 1 362.355 4.074 20 30 FIEDMN N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000511296961 1087595460 /nfs/dbraw/zinc/59/54/60/1087595460.db2.gz RJGZFGXRROOKKX-UHFFFAOYSA-N 0 1 354.369 4.479 20 30 FIEDMN N#C[C@H](C(=O)c1cc2cc(Cl)ccc2s1)c1nnc2n1CCCCC2 ZINC000659054086 1087985593 /nfs/dbraw/zinc/98/55/93/1087985593.db2.gz WJBZISNISLEIMS-CYBMUJFWSA-N 0 1 370.865 4.363 20 30 FIEDMN N#CC(C(=O)c1cc2cc(Cl)ccc2s1)c1nnc2n1CCCCC2 ZINC000659054086 1087985596 /nfs/dbraw/zinc/98/55/96/1087985596.db2.gz WJBZISNISLEIMS-CYBMUJFWSA-N 0 1 370.865 4.363 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c2ccccc2n1 ZINC000659115191 1088124336 /nfs/dbraw/zinc/12/43/36/1088124336.db2.gz QFSIZQJCKPUAJT-AWEZNQCLSA-N 0 1 365.458 4.487 20 30 FIEDMN CC(C)CN1Cc2cccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)c2C1 ZINC000188826146 1088187641 /nfs/dbraw/zinc/18/76/41/1088187641.db2.gz DYPMVXJXOWCURO-UHFFFAOYSA-N 0 1 359.473 4.200 20 30 FIEDMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C=Cc1ccnc(Cl)c1 ZINC000181244690 1088280033 /nfs/dbraw/zinc/28/00/33/1088280033.db2.gz OIINUYMGYXRLCC-LFAOLKIESA-N 0 1 363.804 4.130 20 30 FIEDMN CC(C)c1cc(Br)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000189059417 1088411056 /nfs/dbraw/zinc/41/10/56/1088411056.db2.gz OEPHECJELVMKGU-UHFFFAOYSA-N 0 1 359.223 4.402 20 30 FIEDMN C=CCOc1cccc(NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000513868784 1088494094 /nfs/dbraw/zinc/49/40/94/1088494094.db2.gz AUTJXTNIQQKTJS-LJQANCHMSA-N 0 1 369.465 4.111 20 30 FIEDMN C=CCc1cc(CNCc2cc(Cl)cc3c2OCC3)cc(OC)c1OC ZINC000782961190 1088750293 /nfs/dbraw/zinc/75/02/93/1088750293.db2.gz YUXZYLLYUMCGSF-UHFFFAOYSA-N 0 1 373.880 4.310 20 30 FIEDMN N#CC(C(=O)c1c2c(nc3ccccc31)CCC2)c1nc2ccccc2o1 ZINC000505456462 1088901481 /nfs/dbraw/zinc/90/14/81/1088901481.db2.gz ANAQHWFWWVBVHU-OAHLLOKOSA-N 0 1 353.381 4.355 20 30 FIEDMN CC(C)C[C@H](N)c1noc(-c2ccc(OCc3ccccc3C#N)cc2)n1 ZINC000414625917 1088911453 /nfs/dbraw/zinc/91/14/53/1088911453.db2.gz XJVGZCKFCCCXSX-IBGZPJMESA-N 0 1 362.433 4.233 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)o1 ZINC000613616974 1088960429 /nfs/dbraw/zinc/96/04/29/1088960429.db2.gz AJYFCFNLPLYFFO-UHFFFAOYSA-N 0 1 359.514 4.350 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(-c3ccccc3)nc3onc(C)c32)n1 ZINC000122319332 1088989436 /nfs/dbraw/zinc/98/94/36/1088989436.db2.gz JFUQIDPAOOOKIM-HNNXBMFYSA-N 0 1 374.425 4.453 20 30 FIEDMN Cc1ccc([C@]2(C)CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)cc1 ZINC000434741234 1089010932 /nfs/dbraw/zinc/01/09/32/1089010932.db2.gz CQRRIHXVPAQMQW-JOCHJYFZSA-N 0 1 358.445 4.080 20 30 FIEDMN C=CCc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc(OC)c1O ZINC000434986300 1089184716 /nfs/dbraw/zinc/18/47/16/1089184716.db2.gz GKSPVVOBBUDNQQ-HXUWFJFHSA-N 0 1 353.462 4.475 20 30 FIEDMN C#CCOc1ccccc1CNCc1cn(-c2ccccc2)nc1C(C)C ZINC000236649964 1089206804 /nfs/dbraw/zinc/20/68/04/1089206804.db2.gz HAYGCRPEQMRLSK-UHFFFAOYSA-N 0 1 359.473 4.298 20 30 FIEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H](O)Cc1cccc(Cl)c1 ZINC000514683875 1089336926 /nfs/dbraw/zinc/33/69/26/1089336926.db2.gz KRQSUZZEWAPJBY-NJDAHSKKSA-N 0 1 354.881 4.015 20 30 FIEDMN COc1ccc(C#N)cc1CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000435145874 1089347274 /nfs/dbraw/zinc/34/72/74/1089347274.db2.gz UQBVGVLVXGDCFM-VURMDHGXSA-N 0 1 352.419 4.049 20 30 FIEDMN COc1ccccc1-c1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1 ZINC000435339849 1089545764 /nfs/dbraw/zinc/54/57/64/1089545764.db2.gz YCHPREOKFWEHGY-OWBHPGMISA-N 0 1 357.413 4.186 20 30 FIEDMN N#Cc1ccc(CN2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000514941885 1089648360 /nfs/dbraw/zinc/64/83/60/1089648360.db2.gz JWVUKGLSLNZRIM-INIZCTEOSA-N 0 1 353.447 4.081 20 30 FIEDMN N#C[C@@H](C(=O)C[C@H]1CCC2(CCC2)CO1)c1cc(C(F)(F)F)ccn1 ZINC000893063821 1089776428 /nfs/dbraw/zinc/77/64/28/1089776428.db2.gz YCSGWKSAODQQBB-ZIAGYGMSSA-N 0 1 352.356 4.016 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000122690253 1089917450 /nfs/dbraw/zinc/91/74/50/1089917450.db2.gz RNPKLFSMWZKBIQ-GFCCVEGCSA-N 0 1 358.228 4.299 20 30 FIEDMN N#CC(C(=O)c1ccc2c(c1)CCC(=O)N2)c1nc(-c2ccccc2)cs1 ZINC000041533521 1090234930 /nfs/dbraw/zinc/23/49/30/1090234930.db2.gz BQNGGUIIRCGREU-INIZCTEOSA-N 0 1 373.437 4.185 20 30 FIEDMN N#Cc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)c(Br)c1 ZINC000378480857 1090382662 /nfs/dbraw/zinc/38/26/62/1090382662.db2.gz HGOKHMBAZRWNLZ-IEBWSBKVSA-N 0 1 371.278 4.188 20 30 FIEDMN COc1cc([C@@H](C)NCc2ccc(C#N)cn2)ccc1OC1CCCC1 ZINC000584787308 1090889053 /nfs/dbraw/zinc/88/90/53/1090889053.db2.gz BOEHEIJXYYVUMH-OAHLLOKOSA-N 0 1 351.450 4.134 20 30 FIEDMN COc1ccccc1-c1ncc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418150082 1091083759 /nfs/dbraw/zinc/08/37/59/1091083759.db2.gz VWCVUYGTMZWTCW-OAQYLSRUSA-N 0 1 370.456 4.191 20 30 FIEDMN COc1ccccc1-c1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418150081 1091083977 /nfs/dbraw/zinc/08/39/77/1091083977.db2.gz VWCVUYGTMZWTCW-NRFANRHFSA-N 0 1 370.456 4.191 20 30 FIEDMN Cc1cc(O[C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[nH]2)ccc1C(C)C ZINC000053528170 1091121490 /nfs/dbraw/zinc/12/14/90/1091121490.db2.gz KHKBBHILOHXJCN-AWEZNQCLSA-N 0 1 365.437 4.354 20 30 FIEDMN CN(Cc1ccc(Cl)s1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279505212 1091912141 /nfs/dbraw/zinc/91/21/41/1091912141.db2.gz ZSMVVNJUGDLDTM-UHFFFAOYSA-N 0 1 371.897 4.206 20 30 FIEDMN C[C@@H](Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(C#N)cc1F ZINC000512276920 1092000701 /nfs/dbraw/zinc/00/07/01/1092000701.db2.gz AQHARZADSSBUBB-IXDOHACOSA-N 0 1 367.468 4.480 20 30 FIEDMN C=CCC[C@H](NC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1)c1ccccc1 ZINC000487412880 1092359642 /nfs/dbraw/zinc/35/96/42/1092359642.db2.gz RJFSLVKXEBUSPE-INMHGKMJSA-N 0 1 355.486 4.386 20 30 FIEDMN C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000508385499 1092536384 /nfs/dbraw/zinc/53/63/84/1092536384.db2.gz DEYCBLZTBVPARP-NVXWUHKLSA-N 0 1 353.470 4.063 20 30 FIEDMN C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000508385499 1092536394 /nfs/dbraw/zinc/53/63/94/1092536394.db2.gz DEYCBLZTBVPARP-NVXWUHKLSA-N 0 1 353.470 4.063 20 30 FIEDMN CC(C)(C)Cc1nc(-c2ccc(C(=O)C(C#N)c3ccccn3)cc2)no1 ZINC000442659325 1092706912 /nfs/dbraw/zinc/70/69/12/1092706912.db2.gz QYUTYMZHLNZBHK-MRXNPFEDSA-N 0 1 360.417 4.210 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(-c4cscn4)c3)[nH]c21 ZINC000442730376 1092740732 /nfs/dbraw/zinc/74/07/32/1092740732.db2.gz OBTIQZQNZKLEEO-OAHLLOKOSA-N 0 1 358.426 4.485 20 30 FIEDMN Cc1nc[nH]c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC001143546787 1092799573 /nfs/dbraw/zinc/79/95/73/1092799573.db2.gz RPPXPRMUWOCUCQ-UHFFFAOYSA-N 0 1 366.808 4.075 20 30 FIEDMN CCc1noc(C)c1CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000549842932 1092881634 /nfs/dbraw/zinc/88/16/34/1092881634.db2.gz CQHNTSHVPLLSMU-UHFFFAOYSA-N 0 1 361.445 4.286 20 30 FIEDMN CC(C)CN(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000521822222 1092940084 /nfs/dbraw/zinc/94/00/84/1092940084.db2.gz FQODCENHEICTOO-UHFFFAOYSA-N 0 1 355.869 4.308 20 30 FIEDMN C[C@H]1C[C@H]1c1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000512595766 1092977456 /nfs/dbraw/zinc/97/74/56/1092977456.db2.gz VMTNAUDRDMIYAY-MGPUTAFESA-N 0 1 363.461 4.125 20 30 FIEDMN Cc1cc(C#N)ccc1C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000439130027 1092982918 /nfs/dbraw/zinc/98/29/18/1092982918.db2.gz JLNLACRYFFPICK-UHFFFAOYSA-N 0 1 359.433 4.202 20 30 FIEDMN CC(C)(C#N)c1ccc(CN2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000614159831 1093013015 /nfs/dbraw/zinc/01/30/15/1093013015.db2.gz AWRMCSKSZUYVCJ-UHFFFAOYSA-N 0 1 374.488 4.380 20 30 FIEDMN C[C@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C#N)cc1F ZINC000512625918 1093025008 /nfs/dbraw/zinc/02/50/08/1093025008.db2.gz QWUOKSTWQSMZGE-INIZCTEOSA-N 0 1 365.452 4.174 20 30 FIEDMN C[C@H](NCc1cccc(OCC(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000512646612 1093075353 /nfs/dbraw/zinc/07/53/53/1093075353.db2.gz BRLKMBUJFJKZRV-LBPRGKRZSA-N 0 1 352.331 4.489 20 30 FIEDMN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(C#N)cc1F ZINC000512662128 1093101769 /nfs/dbraw/zinc/10/17/69/1093101769.db2.gz VRHKPOFEUKSEPG-ZSEKCTLFSA-N 0 1 352.409 4.270 20 30 FIEDMN C=CCCc1ccccc1NS(=O)(=O)c1ccccc1-c1ccno1 ZINC000443413765 1093115271 /nfs/dbraw/zinc/11/52/71/1093115271.db2.gz GUKQZNKJTWFQQN-UHFFFAOYSA-N 0 1 354.431 4.261 20 30 FIEDMN C[C@@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1cccc(C#N)c1 ZINC000025215652 1093185942 /nfs/dbraw/zinc/18/59/42/1093185942.db2.gz DGYZWCNBZHOWLD-PXAZEXFGSA-N 0 1 371.893 4.365 20 30 FIEDMN N#CCCN(C(=O)CN1CCC[C@@]2(CC=CCC2)C1)c1cccc(Cl)c1 ZINC000512717533 1093193970 /nfs/dbraw/zinc/19/39/70/1093193970.db2.gz ZHXUWTRZYJERQX-NRFANRHFSA-N 0 1 371.912 4.409 20 30 FIEDMN C[C@@H](N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cccc(C#N)c1 ZINC000184999567 1093207507 /nfs/dbraw/zinc/20/75/07/1093207507.db2.gz FDRWDPMRSIUPJW-DYVFJYSZSA-N 0 1 373.378 4.033 20 30 FIEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000458830703 1093212892 /nfs/dbraw/zinc/21/28/92/1093212892.db2.gz GJVQKOOKDGTHCK-ZOBUZTSGSA-N 0 1 368.485 4.114 20 30 FIEDMN Cc1cc([C@H]2CCCN2Cc2cn(CCC#N)nc2-c2ccccc2)on1 ZINC000509800324 1093378126 /nfs/dbraw/zinc/37/81/26/1093378126.db2.gz YPDCYANSPVUUEK-LJQANCHMSA-N 0 1 361.449 4.097 20 30 FIEDMN C[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000467274435 1093541716 /nfs/dbraw/zinc/54/17/16/1093541716.db2.gz XEZIETLQHKCYBZ-JBLFJGJOSA-N 0 1 367.493 4.403 20 30 FIEDMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H](C#N)CCc2ccccc2)[nH]1 ZINC000433303767 1093558904 /nfs/dbraw/zinc/55/89/04/1093558904.db2.gz LSXWNYRWNOPSAR-QGZVFWFLSA-N 0 1 373.460 4.306 20 30 FIEDMN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C3CC3)cc2)c(C#N)c1C ZINC000419331889 1093661058 /nfs/dbraw/zinc/66/10/58/1093661058.db2.gz HJUZAXGVCZXCQJ-KBPBESRZSA-N 0 1 351.450 4.323 20 30 FIEDMN Cc1cc(OC(F)F)c(C(=O)[C@H](C#N)c2nc3ccccc3n2C)s1 ZINC000513019038 1093666551 /nfs/dbraw/zinc/66/65/51/1093666551.db2.gz XUMXHTNSNIJXAA-JTQLQIEISA-N 0 1 361.373 4.035 20 30 FIEDMN Cc1cc(OC(F)F)c(C(=O)C(C#N)c2nc3ccccc3n2C)s1 ZINC000513019038 1093666568 /nfs/dbraw/zinc/66/65/68/1093666568.db2.gz XUMXHTNSNIJXAA-JTQLQIEISA-N 0 1 361.373 4.035 20 30 FIEDMN C#CCN1CCC(C(=O)N([C@@H](C)c2ccc3ccccc3c2)C2CC2)CC1 ZINC000067233903 1093770721 /nfs/dbraw/zinc/77/07/21/1093770721.db2.gz QWXDYOUHWASIBI-SFHVURJKSA-N 0 1 360.501 4.237 20 30 FIEDMN COc1cc(CN[C@@H](C)c2ccc(Br)cc2F)ccc1C#N ZINC000513080852 1093782616 /nfs/dbraw/zinc/78/26/16/1093782616.db2.gz CYWDFOGPRGUWLY-NSHDSACASA-N 0 1 363.230 4.319 20 30 FIEDMN CCO[C@H](C)C(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000729070712 1093926267 /nfs/dbraw/zinc/92/62/67/1093926267.db2.gz SXZGWNDPYMWVJM-QOLSXCEWSA-N 0 1 358.507 4.212 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C(C)(C)C)C1 ZINC000544190381 1093950545 /nfs/dbraw/zinc/95/05/45/1093950545.db2.gz MLKYLMDTAHONJN-HZPDHXFCSA-N 0 1 359.539 4.245 20 30 FIEDMN CC(C)N(CC(=O)N1CCCCCC1)Cc1ccccc1C(C)(C)C#N ZINC000513252857 1094038440 /nfs/dbraw/zinc/03/84/40/1094038440.db2.gz POMXJSQCVVXGEY-UHFFFAOYSA-N 0 1 355.526 4.101 20 30 FIEDMN CC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1cccc(Cl)c1 ZINC000182601999 1094146780 /nfs/dbraw/zinc/14/67/80/1094146780.db2.gz BGMOXFKLRROXKB-SJCJKPOMSA-N 0 1 359.857 4.489 20 30 FIEDMN CC(C)(C)c1ccc(C2(CNC(=O)[C@H]3CCc4[nH]nnc4C3)CCC2)cc1 ZINC000329048310 1094722761 /nfs/dbraw/zinc/72/27/61/1094722761.db2.gz GITOJTXLRRTAKL-HNNXBMFYSA-N 0 1 366.509 4.286 20 30 FIEDMN CC(C)(C)c1ccc(C2(CNC(=O)[C@H]3CCc4nn[nH]c4C3)CCC2)cc1 ZINC000329048310 1094722777 /nfs/dbraw/zinc/72/27/77/1094722777.db2.gz GITOJTXLRRTAKL-HNNXBMFYSA-N 0 1 366.509 4.286 20 30 FIEDMN CCN(CC)C(=O)c1cccc(NC(=O)CN2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000329152767 1094758092 /nfs/dbraw/zinc/75/80/92/1094758092.db2.gz TWPBEPMEPJOLNC-QGZVFWFLSA-N 0 1 371.525 4.269 20 30 FIEDMN COc1ccc(CCN(C)Cc2cc(Br)ccc2C#N)cc1 ZINC001141903088 1094798056 /nfs/dbraw/zinc/79/80/56/1094798056.db2.gz PZPFWCAHBMRFBC-UHFFFAOYSA-N 0 1 359.267 4.004 20 30 FIEDMN C[C@@H](Nc1cccc(NC(=O)CN2CCCCCC2)c1)[C@H]1CCCOC1 ZINC000329339458 1094848570 /nfs/dbraw/zinc/84/85/70/1094848570.db2.gz NSDRYKVLIQUVFM-MSOLQXFVSA-N 0 1 359.514 4.378 20 30 FIEDMN C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000329466427 1094921146 /nfs/dbraw/zinc/92/11/46/1094921146.db2.gz VOZBRHXYPNRWNP-KGLIPLIRSA-N 0 1 359.495 4.164 20 30 FIEDMN C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCC2(CCOCC2)[C@@H]1C ZINC000329466427 1094921147 /nfs/dbraw/zinc/92/11/47/1094921147.db2.gz VOZBRHXYPNRWNP-KGLIPLIRSA-N 0 1 359.495 4.164 20 30 FIEDMN CC(C)c1nc([C@H]2CCCCN2C(=O)Nc2nc3c(s2)CCCC3)n[nH]1 ZINC000329824264 1095280594 /nfs/dbraw/zinc/28/05/94/1095280594.db2.gz HUKOGEWINWURGV-CYBMUJFWSA-N 0 1 374.514 4.036 20 30 FIEDMN CC(C)c1nc([C@H]2CCCCN2CC(=O)Nc2ccc(F)cc2F)n[nH]1 ZINC000329834034 1095284426 /nfs/dbraw/zinc/28/44/26/1095284426.db2.gz KYYHMNJDDULERT-OAHLLOKOSA-N 0 1 363.412 4.022 20 30 FIEDMN CC(C)c1nc([C@@H]2CCCCN2CC(=O)Nc2cc(C(C)(C)C)no2)n[nH]1 ZINC000329861007 1095296229 /nfs/dbraw/zinc/29/62/29/1095296229.db2.gz XQYHUGGKYQOESX-ZDUSSCGKSA-N 0 1 374.489 4.029 20 30 FIEDMN O=C(Nc1cccc(N2CCCCCC2)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000330085154 1095373339 /nfs/dbraw/zinc/37/33/39/1095373339.db2.gz RHIUQIBWBRKQEK-SFHVURJKSA-N 0 1 353.470 4.003 20 30 FIEDMN O=C(Nc1cccc(N2CCCCCC2)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330085152 1095374452 /nfs/dbraw/zinc/37/44/52/1095374452.db2.gz RHIUQIBWBRKQEK-GOSISDBHSA-N 0 1 353.470 4.003 20 30 FIEDMN O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)N[C@@H]1CCCc2cn[nH]c21 ZINC000330123358 1095387769 /nfs/dbraw/zinc/38/77/69/1095387769.db2.gz KVXFYXHJTJXQHO-BFKIHDCISA-N 0 1 370.497 4.307 20 30 FIEDMN COc1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)ccc1OC1CCCC1 ZINC000330131284 1095390791 /nfs/dbraw/zinc/39/07/91/1095390791.db2.gz PPCWCWRVTMAODS-INIZCTEOSA-N 0 1 355.438 4.122 20 30 FIEDMN CC(C)c1csc([C@@H]2CCCN(C(=O)N[C@H]3CCCc4cn[nH]c43)C2)n1 ZINC000330142455 1095391938 /nfs/dbraw/zinc/39/19/38/1095391938.db2.gz QNSUQJVRXRNRGN-CABCVRRESA-N 0 1 373.526 4.161 20 30 FIEDMN [O-]C(=[NH+][C@H]1CCn2ccnc2C1)N1CCC(c2cccc3ccccc32)CC1 ZINC000330177318 1095403019 /nfs/dbraw/zinc/40/30/19/1095403019.db2.gz CWPZTHJPONRNJC-IBGZPJMESA-N 0 1 374.488 4.145 20 30 FIEDMN O=C(N[C@@H]1CCOC2(CCC2)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000330255784 1095437025 /nfs/dbraw/zinc/43/70/25/1095437025.db2.gz PUXPJPFEMMDVSN-SNVBAGLBSA-N 0 1 351.859 4.198 20 30 FIEDMN O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@H]1CCC[N@@H+]1C1CC1 ZINC000330303296 1095476332 /nfs/dbraw/zinc/47/63/32/1095476332.db2.gz JUSYEINRUOQMPM-GFCCVEGCSA-N 0 1 359.651 4.023 20 30 FIEDMN O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@H]1CCC[N@H+]1C1CC1 ZINC000330303296 1095476353 /nfs/dbraw/zinc/47/63/53/1095476353.db2.gz JUSYEINRUOQMPM-GFCCVEGCSA-N 0 1 359.651 4.023 20 30 FIEDMN COCCCn1nccc1CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000366995604 1095708745 /nfs/dbraw/zinc/70/87/45/1095708745.db2.gz LJJCWRMHEXNCTQ-SFHVURJKSA-N 0 1 374.488 4.309 20 30 FIEDMN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1csc(Cl)c1 ZINC000469204902 1096387389 /nfs/dbraw/zinc/38/73/89/1096387389.db2.gz KLXMISZJJGDYIW-WBMJQRKESA-N 0 1 359.882 4.119 20 30 FIEDMN CSc1ccc(C)c(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000504060050 1096649876 /nfs/dbraw/zinc/64/98/76/1096649876.db2.gz RLXAFJSTQKIFKC-UHFFFAOYSA-N 0 1 352.868 4.043 20 30 FIEDMN C[C@H](CN(C)CC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1 ZINC000532941398 1098616532 /nfs/dbraw/zinc/61/65/32/1098616532.db2.gz HWGMBRVLMXECBM-GOSISDBHSA-N 0 1 359.473 4.473 20 30 FIEDMN CC(C)CCO[C@@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000436266278 1098880488 /nfs/dbraw/zinc/88/04/88/1098880488.db2.gz NYCVMMMKEIMSOI-RTBURBONSA-N 0 1 368.481 4.072 20 30 FIEDMN C[C@H](c1c(F)cccc1F)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000533220548 1098885940 /nfs/dbraw/zinc/88/59/40/1098885940.db2.gz MMDRZBTZBZUWTM-MRXNPFEDSA-N 0 1 355.432 4.105 20 30 FIEDMN C[N@@H+](Cc1cccc(O)c1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000533255624 1098915763 /nfs/dbraw/zinc/91/57/63/1098915763.db2.gz OSCWDLQEJSSKFX-UHFFFAOYSA-N 0 1 358.441 4.475 20 30 FIEDMN CN(Cc1cccc(O)c1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000533255624 1098915767 /nfs/dbraw/zinc/91/57/67/1098915767.db2.gz OSCWDLQEJSSKFX-UHFFFAOYSA-N 0 1 358.441 4.475 20 30 FIEDMN CCN(CC)[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)c1ccccc1 ZINC000505796923 1098952078 /nfs/dbraw/zinc/95/20/78/1098952078.db2.gz RNNQMMHBTXJLLL-RBUKOAKNSA-N 0 1 355.869 4.104 20 30 FIEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000533301480 1098954279 /nfs/dbraw/zinc/95/42/79/1098954279.db2.gz DSURCKYFQIXQCW-CQSZACIVSA-N 0 1 359.495 4.044 20 30 FIEDMN CC1(C)CCC[C@@H](CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000533705705 1099346241 /nfs/dbraw/zinc/34/62/41/1099346241.db2.gz BHFVXZZCRFDQSL-NRFANRHFSA-N 0 1 367.537 4.199 20 30 FIEDMN CCCOc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1OCCC ZINC000615092158 1099695330 /nfs/dbraw/zinc/69/53/30/1099695330.db2.gz CPUREUCXJZBQCY-INIZCTEOSA-N 0 1 353.466 4.382 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)c1cc(C#N)cs1)c1ccccc1Cl ZINC000437317160 1099795521 /nfs/dbraw/zinc/79/55/21/1099795521.db2.gz ZANQZWHLBRLYJL-MRXNPFEDSA-N 0 1 361.898 4.086 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)c1ccco1 ZINC000455697725 1099949474 /nfs/dbraw/zinc/94/94/74/1099949474.db2.gz FCJNVXVNLQUMAC-KRWDZBQOSA-N 0 1 374.872 4.204 20 30 FIEDMN CC[C@H](C)c1nc([C@@H](C)Nc2cc(Br)c(C#N)cc2F)n[nH]1 ZINC000517041682 1100011165 /nfs/dbraw/zinc/01/11/65/1100011165.db2.gz XRBBFTUOTZECHU-DTWKUNHWSA-N 0 1 366.238 4.265 20 30 FIEDMN Clc1cccc(C#CCN2CCC(OCCc3ccccc3)CC2)c1 ZINC000437649159 1100061559 /nfs/dbraw/zinc/06/15/59/1100061559.db2.gz IMMHVKYBKALZKT-UHFFFAOYSA-N 0 1 353.893 4.415 20 30 FIEDMN Cc1cnc(N2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)s1 ZINC000517260824 1100220688 /nfs/dbraw/zinc/22/06/88/1100220688.db2.gz JVFQUFGJZFAYNY-UHFFFAOYSA-N 0 1 374.513 4.312 20 30 FIEDMN CC(C)(C#N)CCN1CC[N@H+](CCC(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000459520124 1100268435 /nfs/dbraw/zinc/26/84/35/1100268435.db2.gz SVGNJEMMTHOBGN-HXUWFJFHSA-N 0 1 352.526 4.225 20 30 FIEDMN N#Cc1ccc(CN2CCC3(CC2)OCCc2ccccc23)c(Cl)c1 ZINC000459527899 1100276483 /nfs/dbraw/zinc/27/64/83/1100276483.db2.gz QLWCWFIGTPBGOW-UHFFFAOYSA-N 0 1 352.865 4.276 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000517562567 1100500071 /nfs/dbraw/zinc/50/00/71/1100500071.db2.gz UEFBEJORWPBWDY-RYRKJORJSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000517562567 1100500075 /nfs/dbraw/zinc/50/00/75/1100500075.db2.gz UEFBEJORWPBWDY-RYRKJORJSA-N 0 1 357.523 4.141 20 30 FIEDMN COc1ccc2[nH]cc(C3=CCN(Cc4cc(C#N)ccc4OC)CC3)c2c1 ZINC000438754936 1100898533 /nfs/dbraw/zinc/89/85/33/1100898533.db2.gz PTRRNPKBPMJEAO-UHFFFAOYSA-N 0 1 373.456 4.346 20 30 FIEDMN Cc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2Cl)N2CCCC2)o1 ZINC000426164125 1100925730 /nfs/dbraw/zinc/92/57/30/1100925730.db2.gz XJYYPLXOUZGXHY-QGZVFWFLSA-N 0 1 372.856 4.072 20 30 FIEDMN Cc1cc(-c2noc(-c3cc(-c4cccc(C#N)c4)no3)n2)cc2nc[nH]c21 ZINC000518198115 1101001764 /nfs/dbraw/zinc/00/17/64/1101001764.db2.gz SYFPDATWVCPYMA-UHFFFAOYSA-N 0 1 368.356 4.115 20 30 FIEDMN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000438938559 1101032284 /nfs/dbraw/zinc/03/22/84/1101032284.db2.gz VWCNWGZPBZZRKS-GOSISDBHSA-N 0 1 364.836 4.374 20 30 FIEDMN C=CC[C@@H](C)NCc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000638608198 1101325140 /nfs/dbraw/zinc/32/51/40/1101325140.db2.gz BTXZWFHVXKTWNI-LLVKDONJSA-N 0 1 351.422 4.160 20 30 FIEDMN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc(C#N)cc3Cl)ccc2NC1=O ZINC000439427741 1101425596 /nfs/dbraw/zinc/42/55/96/1101425596.db2.gz AXKHJFCIYNYHMY-XIKOKIGWSA-N 0 1 369.852 4.172 20 30 FIEDMN CC(C)[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000439458921 1101446693 /nfs/dbraw/zinc/44/66/93/1101446693.db2.gz FTWYENMIVBLLDW-HXUWFJFHSA-N 0 1 356.853 4.470 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c(Cl)c1 ZINC000439455505 1101460262 /nfs/dbraw/zinc/46/02/62/1101460262.db2.gz UXGLBBLXLNMLPS-GOSISDBHSA-N 0 1 363.852 4.334 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000439455505 1101460265 /nfs/dbraw/zinc/46/02/65/1101460265.db2.gz UXGLBBLXLNMLPS-GOSISDBHSA-N 0 1 363.852 4.334 20 30 FIEDMN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1C(F)(F)F ZINC000537159102 1101505273 /nfs/dbraw/zinc/50/52/73/1101505273.db2.gz CTCLTJAEEJAVTC-AWEZNQCLSA-N 0 1 367.415 4.041 20 30 FIEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000127464399 1101542182 /nfs/dbraw/zinc/54/21/82/1101542182.db2.gz UAIZAYFVNQALEQ-CHWSQXEVSA-N 0 1 361.367 4.255 20 30 FIEDMN CCOc1ccc(Nc2ncccc2C(=O)[C@H](C#N)c2ccccn2)cc1 ZINC000537266345 1101593345 /nfs/dbraw/zinc/59/33/45/1101593345.db2.gz OPXUTVUVDUMHNK-GOSISDBHSA-N 0 1 358.401 4.109 20 30 FIEDMN N#Cc1ccnc(N2CCN(Cc3ccc(-c4ccccc4)s3)CC2)c1 ZINC000506629974 1101602854 /nfs/dbraw/zinc/60/28/54/1101602854.db2.gz ABRVCFUFHWCQIT-UHFFFAOYSA-N 0 1 360.486 4.004 20 30 FIEDMN Cc1nc(-c2ccccc2NS(=O)(=O)c2cc(C#N)ccc2C)cs1 ZINC000475839488 1102214119 /nfs/dbraw/zinc/21/41/19/1102214119.db2.gz XWOOQRMCJITWFR-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN C=CCCC[N@H+](C)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000121065278 1102319325 /nfs/dbraw/zinc/31/93/25/1102319325.db2.gz IQOAQSRXGSDCCD-UHFFFAOYSA-N 0 1 369.490 4.058 20 30 FIEDMN N#Cc1ccc(Oc2cccc(NC(=O)Cc3n[nH]c4ccccc43)c2)cc1 ZINC000104417777 1102323612 /nfs/dbraw/zinc/32/36/12/1102323612.db2.gz JJZNBMNSUWSUKT-UHFFFAOYSA-N 0 1 368.396 4.408 20 30 FIEDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714181 1102368616 /nfs/dbraw/zinc/36/86/16/1102368616.db2.gz DBTDRXIGLXEFCL-HNNXBMFYSA-N 0 1 351.406 4.071 20 30 FIEDMN C[C@@H](OC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000783788240 1102416976 /nfs/dbraw/zinc/41/69/76/1102416976.db2.gz RMXPKKUKIAHKNW-UZLBHIALSA-N 0 1 366.436 4.214 20 30 FIEDMN Cc1ccc([C@H](C)N(C)CC(=O)Nc2cc(Cl)ccc2C#N)c(C)c1 ZINC000532493741 1102437564 /nfs/dbraw/zinc/43/75/64/1102437564.db2.gz UWDFMUCFSKBOCV-HNNXBMFYSA-N 0 1 355.869 4.460 20 30 FIEDMN Cc1ccc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000532575327 1102498877 /nfs/dbraw/zinc/49/88/77/1102498877.db2.gz IAJWBSMFYOHTCX-HNNXBMFYSA-N 0 1 355.869 4.460 20 30 FIEDMN Cc1ccc(C)c([C@H](C)N(C)CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000532575327 1102498883 /nfs/dbraw/zinc/49/88/83/1102498883.db2.gz IAJWBSMFYOHTCX-HNNXBMFYSA-N 0 1 355.869 4.460 20 30 FIEDMN N#Cc1ccc(CNCc2cccc(COCc3ccco3)c2)c(F)c1 ZINC000532589191 1102507605 /nfs/dbraw/zinc/50/76/05/1102507605.db2.gz LHBXXVXUVKAHNV-UHFFFAOYSA-N 0 1 350.393 4.297 20 30 FIEDMN C=CCC(CC=C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469497280 1102586036 /nfs/dbraw/zinc/58/60/36/1102586036.db2.gz GIRZKGDEOUYFFZ-KRWDZBQOSA-N 0 1 354.416 4.193 20 30 FIEDMN C=CCCC1(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000476733296 1102737827 /nfs/dbraw/zinc/73/78/27/1102737827.db2.gz ZLAYBHZWTKFCBD-INIZCTEOSA-N 0 1 354.416 4.171 20 30 FIEDMN CC(=Cc1cnc(-c2ccc(Cl)cc2)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000550975449 1102737883 /nfs/dbraw/zinc/73/78/83/1102737883.db2.gz CNMVBKDXKZWAFR-JXMROGBWSA-N 0 1 368.849 4.287 20 30 FIEDMN N#Cc1cnc(N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c(F)c1 ZINC000578845013 1102958487 /nfs/dbraw/zinc/95/84/87/1102958487.db2.gz QDPNKVKMVMLHEU-MRXNPFEDSA-N 0 1 355.804 4.354 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H]3CCCC[C@@H]3C2)c1C#N ZINC000426828606 1103028608 /nfs/dbraw/zinc/02/86/08/1103028608.db2.gz LPPDQYAMCCBRLP-HDICACEKSA-N 0 1 368.525 4.152 20 30 FIEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1ccccc1-c1ccccc1 ZINC000507276432 1103262840 /nfs/dbraw/zinc/26/28/40/1103262840.db2.gz WWEUJXHVAUJICQ-JPYJTQIMSA-N 0 1 363.505 4.228 20 30 FIEDMN Cc1ncc(S(=O)(=O)Nc2ccccc2SC2CCCC2)cc1C#N ZINC000427113567 1103268799 /nfs/dbraw/zinc/26/87/99/1103268799.db2.gz KAPUBSZRZXJTIS-UHFFFAOYSA-N 0 1 373.503 4.097 20 30 FIEDMN C[C@H](c1ccc(OC(F)F)cc1)N1CCN(c2ccccc2C#N)CC1 ZINC000507281007 1103272936 /nfs/dbraw/zinc/27/29/36/1103272936.db2.gz FLUJVZGFFBOGFO-OAHLLOKOSA-N 0 1 357.404 4.043 20 30 FIEDMN N#Cc1ccc2ncc(CN[C@@H](Cc3ccccc3)c3ccccc3F)n2c1 ZINC000551553085 1103350313 /nfs/dbraw/zinc/35/03/13/1103350313.db2.gz STHDVGIJVPLENG-QFIPXVFZSA-N 0 1 370.431 4.419 20 30 FIEDMN COc1cc(CN2CCC(C)(C#N)CC2)ccc1OCc1cccs1 ZINC000507697923 1103626958 /nfs/dbraw/zinc/62/69/58/1103626958.db2.gz MGYYRZUUZRUDGU-UHFFFAOYSA-N 0 1 356.491 4.461 20 30 FIEDMN Cn1c2ccccc2nc1[C@H]1CCCN1CCCOc1cccc(C#N)c1 ZINC000477634049 1103758894 /nfs/dbraw/zinc/75/88/94/1103758894.db2.gz AOAHWPWXFSAZQZ-OAQYLSRUSA-N 0 1 360.461 4.051 20 30 FIEDMN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000184406685 1103814306 /nfs/dbraw/zinc/81/43/06/1103814306.db2.gz XNTNAHSILYGDGN-LBPRGKRZSA-N 0 1 374.535 4.025 20 30 FIEDMN C=CCC[C@@H](NCC(=O)Nc1nccs1)c1ccc(C(F)(F)F)cc1 ZINC000538232590 1104063522 /nfs/dbraw/zinc/06/35/22/1104063522.db2.gz DYCRJAHQQZKESS-CQSZACIVSA-N 0 1 369.412 4.398 20 30 FIEDMN C=CCC[C@H](NCc1c([N+](=O)[O-])ncn1C)c1ccc(C(F)(F)F)cc1 ZINC000538234196 1104064596 /nfs/dbraw/zinc/06/45/96/1104064596.db2.gz FQBZVXHTKFXAAB-AWEZNQCLSA-N 0 1 368.359 4.144 20 30 FIEDMN CCc1nn(-c2ccccc2)c(CC)c1CNCc1ccc(C#N)c(OC)c1 ZINC000441386097 1104321611 /nfs/dbraw/zinc/32/16/11/1104321611.db2.gz VZTNYXUSSLALGF-UHFFFAOYSA-N 0 1 374.488 4.167 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)C(=O)N(C)CCC#N ZINC000112532709 1104366707 /nfs/dbraw/zinc/36/67/07/1104366707.db2.gz UOQBLRLLZSDGDF-HOTGVXAUSA-N 0 1 369.440 4.029 20 30 FIEDMN Cc1ccc2c(c1)OCCC[C@@H]2NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000328661550 1104527126 /nfs/dbraw/zinc/52/71/26/1104527126.db2.gz WUUAWPFNXITXGJ-OALUTQOASA-N 0 1 366.461 4.279 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)NCc3c(C)oc4ccccc43)C2)n[nH]1 ZINC000328666633 1104528691 /nfs/dbraw/zinc/52/86/91/1104528691.db2.gz CRWYAZXHULFRQK-OAHLLOKOSA-N 0 1 352.438 4.066 20 30 FIEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000328676650 1104532200 /nfs/dbraw/zinc/53/22/00/1104532200.db2.gz AEMKMJNULLZRRA-FCGDIQPGSA-N 0 1 350.466 4.112 20 30 FIEDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2coc(C3CCCC3)n2)CC1 ZINC000328739592 1104545853 /nfs/dbraw/zinc/54/58/53/1104545853.db2.gz HZVAWVQROFHYLZ-OAHLLOKOSA-N 0 1 368.481 4.257 20 30 FIEDMN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@H]3CCc4[nH]nnc4C3)c2)C1 ZINC000328773644 1104554733 /nfs/dbraw/zinc/55/47/33/1104554733.db2.gz KALQMBQUKOPNCF-HFTRVMKXSA-N 0 1 368.481 4.293 20 30 FIEDMN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@H]3CCc4nn[nH]c4C3)c2)C1 ZINC000328773644 1104554740 /nfs/dbraw/zinc/55/47/40/1104554740.db2.gz KALQMBQUKOPNCF-HFTRVMKXSA-N 0 1 368.481 4.293 20 30 FIEDMN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000441435649 1104658814 /nfs/dbraw/zinc/65/88/14/1104658814.db2.gz FHIDUKJADUSJIG-ZWKOTPCHSA-N 0 1 368.481 4.024 20 30 FIEDMN C[C@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[C@H]1c1ccccc1 ZINC000441438888 1104698818 /nfs/dbraw/zinc/69/88/18/1104698818.db2.gz SFABBKDSRGIVMC-OXJNMPFZSA-N 0 1 358.445 4.234 20 30 FIEDMN COc1cc(Br)ccc1[C@@H](C)NCc1ccc(C#N)cc1C ZINC000190444386 1104851679 /nfs/dbraw/zinc/85/16/79/1104851679.db2.gz ODXKKDYBYZEYPM-CYBMUJFWSA-N 0 1 359.267 4.489 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C1CCC(C)CC1 ZINC000170983509 1105015958 /nfs/dbraw/zinc/01/59/58/1105015958.db2.gz KUBIBYJLJRUQMB-AQFXKWCLSA-N 0 1 359.539 4.387 20 30 FIEDMN CCSc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000520624624 1105059494 /nfs/dbraw/zinc/05/94/94/1105059494.db2.gz QOKZPDJYKWGWIO-UHFFFAOYSA-N 0 1 352.868 4.124 20 30 FIEDMN N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000507890976 1105258043 /nfs/dbraw/zinc/25/80/43/1105258043.db2.gz RXXUVIXSNBXJEM-UHFFFAOYSA-N 0 1 354.369 4.479 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000427983844 1105336276 /nfs/dbraw/zinc/33/62/76/1105336276.db2.gz VWESEYMMPUESJM-HNNXBMFYSA-N 0 1 369.515 4.176 20 30 FIEDMN N#Cc1ccc(CNCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)s1 ZINC000152344316 1106989369 /nfs/dbraw/zinc/98/93/69/1106989369.db2.gz XIZGRMXQRZVJDJ-UHFFFAOYSA-N 0 1 365.433 4.301 20 30 FIEDMN C[C@H](N[C@H](c1ccc(F)c(Cl)c1)C1CC1)C(=O)Nc1ccccc1C#N ZINC000451350504 1107046613 /nfs/dbraw/zinc/04/66/13/1107046613.db2.gz CXAFFNOYTVZGGX-BUXKBTBVSA-N 0 1 371.843 4.419 20 30 FIEDMN C[C@]1(CCc2ccccc2)CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000531202326 1107646452 /nfs/dbraw/zinc/64/64/52/1107646452.db2.gz HGBKIQKJVVQDKR-QHCPKHFHSA-N 0 1 372.472 4.453 20 30 FIEDMN N#Cc1ccc2ncc(CN3CCC(c4cccc(Cl)c4)CC3)n2c1 ZINC000475576664 1107785656 /nfs/dbraw/zinc/78/56/56/1107785656.db2.gz AUKHQSKLTAKPHX-UHFFFAOYSA-N 0 1 350.853 4.239 20 30 FIEDMN N#Cc1ccccc1COc1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000531698604 1108077495 /nfs/dbraw/zinc/07/74/95/1108077495.db2.gz LENDRKJKOZUGJM-OAQYLSRUSA-N 0 1 358.445 4.028 20 30 FIEDMN CSc1ccccc1[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000440623956 1108327372 /nfs/dbraw/zinc/32/73/72/1108327372.db2.gz MHHWZKJBTSHLHY-HNAYVOBHSA-N 0 1 365.502 4.126 20 30 FIEDMN C=CC1CCN([C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)CC1 ZINC000523608482 1108356882 /nfs/dbraw/zinc/35/68/82/1108356882.db2.gz IOJNHQWGJAVNAV-NRFANRHFSA-N 0 1 350.462 4.273 20 30 FIEDMN C[C@@H](N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000453274184 1108380809 /nfs/dbraw/zinc/38/08/09/1108380809.db2.gz CUDKFMXQLDUXCA-KZULUSFZSA-N 0 1 366.358 4.490 20 30 FIEDMN N#Cc1ccsc1C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440751962 1108736249 /nfs/dbraw/zinc/73/62/49/1108736249.db2.gz MTHRPUMFMUVKHI-AWEZNQCLSA-N 0 1 356.838 4.127 20 30 FIEDMN COc1cc(CN[C@H](COc2ccccc2)c2ccccc2)ccc1C#N ZINC000440803800 1108864237 /nfs/dbraw/zinc/86/42/37/1108864237.db2.gz CVNSKKCYAYHDEQ-JOCHJYFZSA-N 0 1 358.441 4.477 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C[C@H](C)c2ccccc2)c1 ZINC000524310016 1108960537 /nfs/dbraw/zinc/96/05/37/1108960537.db2.gz RASNXUZYGFCHGM-FQEVSTJZSA-N 0 1 363.505 4.286 20 30 FIEDMN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000445726931 1108967146 /nfs/dbraw/zinc/96/71/46/1108967146.db2.gz VFQYMSJXTVALCU-QFBILLFUSA-N 0 1 361.873 4.109 20 30 FIEDMN N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000440908996 1109059478 /nfs/dbraw/zinc/05/94/78/1109059478.db2.gz NBQGACCXSNFBLI-QGZVFWFLSA-N 0 1 365.824 4.457 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN(C)[C@H](C)Cc1ccc(O)cc1 ZINC000467510697 1109154846 /nfs/dbraw/zinc/15/48/46/1109154846.db2.gz MDTDFFBDODVWOT-MRXNPFEDSA-N 0 1 370.518 4.172 20 30 FIEDMN N#Cc1ccc(NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1C(F)(F)F ZINC000524793927 1109155561 /nfs/dbraw/zinc/15/55/61/1109155561.db2.gz MMEKZIUGRFYGSW-UHFFFAOYSA-N 0 1 361.302 4.113 20 30 FIEDMN N#Cc1ccc(NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1C(F)(F)F ZINC000524793927 1109155562 /nfs/dbraw/zinc/15/55/62/1109155562.db2.gz MMEKZIUGRFYGSW-UHFFFAOYSA-N 0 1 361.302 4.113 20 30 FIEDMN C=C(C)COc1cc(CNCc2nc3ccc(C)cc3[nH]2)ccc1OC ZINC000525289887 1109329169 /nfs/dbraw/zinc/32/91/69/1109329169.db2.gz INJUDWGFSPQRPH-UHFFFAOYSA-N 0 1 351.450 4.125 20 30 FIEDMN C=CCc1ccccc1OC[C@@H](O)CN(C)[C@@H](C)c1sc(CC)nc1C ZINC000525634958 1109463464 /nfs/dbraw/zinc/46/34/64/1109463464.db2.gz BDLCPNSMAMGTED-WMZOPIPTSA-N 0 1 374.550 4.175 20 30 FIEDMN N#CC1(NC(=O)CN[C@@H](c2ccccc2)c2cccc3ccccc32)CCC1 ZINC000525876627 1109542268 /nfs/dbraw/zinc/54/22/68/1109542268.db2.gz VVFROLXUYPAJFD-QHCPKHFHSA-N 0 1 369.468 4.081 20 30 FIEDMN CC[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000447545353 1109574714 /nfs/dbraw/zinc/57/47/14/1109574714.db2.gz RHDFDVVHQIKQOP-QGZVFWFLSA-N 0 1 372.266 4.000 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(OCC(F)(F)F)cn2)n1 ZINC000447608743 1109601318 /nfs/dbraw/zinc/60/13/18/1109601318.db2.gz HBXGXVRTUAGKSC-NSHDSACASA-N 0 1 369.368 4.093 20 30 FIEDMN FC(F)(F)c1ccc(C#CCNCc2ccnn2-c2ccccc2)cc1 ZINC000447933744 1109682082 /nfs/dbraw/zinc/68/20/82/1109682082.db2.gz YBHFRFLIMBPSKW-UHFFFAOYSA-N 0 1 355.363 4.032 20 30 FIEDMN C=CCC[C@@H](CC)NCc1noc(-c2cccc(Br)c2)n1 ZINC000448281426 1109759984 /nfs/dbraw/zinc/75/99/84/1109759984.db2.gz OGZXIKWITXEKPL-CQSZACIVSA-N 0 1 350.260 4.334 20 30 FIEDMN CN(C)C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000527809137 1109827616 /nfs/dbraw/zinc/82/76/16/1109827616.db2.gz NCGXJNFFNBLBEK-GOSISDBHSA-N 0 1 366.267 4.397 20 30 FIEDMN C=C(Cl)COc1ccc([C@@H](C)NC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000527941437 1109865245 /nfs/dbraw/zinc/86/52/45/1109865245.db2.gz ZBQXNZXXQCGUFC-CZUORRHYSA-N 0 1 373.806 4.469 20 30 FIEDMN N#Cc1ccc(CN2CCC3(CCC(O)CC3)CC2)c(C(F)(F)F)c1 ZINC000449368273 1110044501 /nfs/dbraw/zinc/04/45/01/1110044501.db2.gz GFJJVYHJVQTGNN-UHFFFAOYSA-N 0 1 352.400 4.094 20 30 FIEDMN C=CCC[C@H](CO)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000449700256 1110148805 /nfs/dbraw/zinc/14/88/05/1110148805.db2.gz SRIMQCGOZJPRLO-CQSZACIVSA-N 0 1 356.413 4.246 20 30 FIEDMN CC(C)c1cccc(O[C@H](C)C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000053528253 1110163389 /nfs/dbraw/zinc/16/33/89/1110163389.db2.gz BEIVSQZSTKVARV-CYBMUJFWSA-N 0 1 351.410 4.046 20 30 FIEDMN C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)Cc1ccc(C#N)o1 ZINC000538726959 1111265154 /nfs/dbraw/zinc/26/51/54/1111265154.db2.gz JAZMWEVCTQFFAV-UHFFFAOYSA-N 0 1 362.429 4.241 20 30 FIEDMN CN(CCOc1ccc(OCc2ccccc2)cc1)Cc1ccc(C#N)o1 ZINC000538726959 1111265159 /nfs/dbraw/zinc/26/51/59/1111265159.db2.gz JAZMWEVCTQFFAV-UHFFFAOYSA-N 0 1 362.429 4.241 20 30 FIEDMN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cccc(C)c1Cl ZINC000539399917 1111550379 /nfs/dbraw/zinc/55/03/79/1111550379.db2.gz KJZDPHUHSXHMDT-UHFFFAOYSA-N 0 1 363.870 4.143 20 30 FIEDMN Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c4ccccc4nn3C)n2)cc1 ZINC000478075585 1111671041 /nfs/dbraw/zinc/67/10/41/1111671041.db2.gz LMSKZTZTYZMMDA-INIZCTEOSA-N 0 1 372.453 4.495 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3c4ccccc4nn3C)n2)cc1 ZINC000478075585 1111671046 /nfs/dbraw/zinc/67/10/46/1111671046.db2.gz LMSKZTZTYZMMDA-INIZCTEOSA-N 0 1 372.453 4.495 20 30 FIEDMN C=CCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1F ZINC000552836725 1111825002 /nfs/dbraw/zinc/82/50/02/1111825002.db2.gz QVEGWORNTYCTKJ-UHFFFAOYSA-N 0 1 371.843 4.368 20 30 FIEDMN Cc1cc(NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc(C#N)n1 ZINC000553145410 1111917672 /nfs/dbraw/zinc/91/76/72/1111917672.db2.gz VVEDPXMJIDBQRV-KUHUBIRLSA-N 0 1 358.848 4.159 20 30 FIEDMN C[C@@H](Oc1cccc(F)c1)C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000097334960 1111947060 /nfs/dbraw/zinc/94/70/60/1111947060.db2.gz DBRMCQFQTVJDCL-SNVBAGLBSA-N 0 1 360.776 4.320 20 30 FIEDMN CC(C)(O)CN(Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000554228234 1112257714 /nfs/dbraw/zinc/25/77/14/1112257714.db2.gz DXIYPKFZANUZOF-UHFFFAOYSA-N 0 1 373.294 4.094 20 30 FIEDMN COc1cccc(-c2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)[nH]n2)c1 ZINC000480120603 1112291379 /nfs/dbraw/zinc/29/13/79/1112291379.db2.gz UTAJBIDOYOXDDX-UHFFFAOYSA-N 0 1 360.417 4.139 20 30 FIEDMN C=CCOCCN[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000555424183 1112829599 /nfs/dbraw/zinc/82/95/99/1112829599.db2.gz OCWNPCZUVOMFSG-LBPRGKRZSA-N 0 1 367.312 4.426 20 30 FIEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000481308503 1112882291 /nfs/dbraw/zinc/88/22/91/1112882291.db2.gz MVQNFXUCVLWTAT-UHFFFAOYSA-N 0 1 372.384 4.167 20 30 FIEDMN N#Cc1ccc2ncc(CN3CCC(c4ccc(Cl)cc4)CC3)n2c1 ZINC000482506500 1113280129 /nfs/dbraw/zinc/28/01/29/1113280129.db2.gz IOZOMKOHSDCAMU-UHFFFAOYSA-N 0 1 350.853 4.239 20 30 FIEDMN CC[C@H](C)n1ncc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000482582356 1113302980 /nfs/dbraw/zinc/30/29/80/1113302980.db2.gz OXTDTZFZZDVPKP-GXFFZTMASA-N 0 1 350.344 4.066 20 30 FIEDMN CC[C@H](C)n1ncc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000482582356 1113302982 /nfs/dbraw/zinc/30/29/82/1113302982.db2.gz OXTDTZFZZDVPKP-GXFFZTMASA-N 0 1 350.344 4.066 20 30 FIEDMN Cc1noc(-c2ccccc2C(=O)C(C#N)c2nccc3ccccc32)n1 ZINC000483195710 1113461886 /nfs/dbraw/zinc/46/18/86/1113461886.db2.gz IRIFCYLIZFRWBF-GOSISDBHSA-N 0 1 354.369 4.083 20 30 FIEDMN C=CCn1cccc1C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000489043884 1114039940 /nfs/dbraw/zinc/03/99/40/1114039940.db2.gz QTMKNVTXEZKDLF-INIZCTEOSA-N 0 1 354.841 4.181 20 30 FIEDMN COc1ccc([C@@H](CCC#N)NCc2cc(OC)nc3ccccc23)cc1 ZINC000570394137 1114074332 /nfs/dbraw/zinc/07/43/32/1114074332.db2.gz OPZXAKUOJHHXGY-HXUWFJFHSA-N 0 1 361.445 4.387 20 30 FIEDMN N#Cc1cc(F)ccc1CN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000489677560 1114156311 /nfs/dbraw/zinc/15/63/11/1114156311.db2.gz KNHPIVWBHHCJKV-UHFFFAOYSA-N 0 1 357.860 4.059 20 30 FIEDMN CC(N=Nc1nc2cc(F)c(F)cc2[nH]1)c1ccccc1Br ZINC000912825340 1114215908 /nfs/dbraw/zinc/21/59/08/1114215908.db2.gz TUPOKSVEFUXSFN-UHFFFAOYSA-N 0 1 365.181 4.440 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000913040825 1114285240 /nfs/dbraw/zinc/28/52/40/1114285240.db2.gz RERHTIFIASWUBX-KRWDZBQOSA-N 0 1 351.494 4.070 20 30 FIEDMN CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000055152069 1114421855 /nfs/dbraw/zinc/42/18/55/1114421855.db2.gz NWVGWLMNXFUGJW-HOTGVXAUSA-N 0 1 351.450 4.023 20 30 FIEDMN CCN(C(=O)CN[C@@H](C)c1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000571181666 1114437534 /nfs/dbraw/zinc/43/75/34/1114437534.db2.gz SXNSDAUKAGULSO-KRWDZBQOSA-N 0 1 357.457 4.415 20 30 FIEDMN CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc3ccccc3c2O)cs1 ZINC000156610296 1114466297 /nfs/dbraw/zinc/46/62/97/1114466297.db2.gz MBAIZPJNXZPTIF-PKNBQFBNSA-N 0 1 366.442 4.271 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc(C#N)cc1F ZINC000571574418 1114478756 /nfs/dbraw/zinc/47/87/56/1114478756.db2.gz XPGJDDNSUXWWSJ-UONOGXRCSA-N 0 1 352.388 4.434 20 30 FIEDMN Cc1cc(C2CCN(c3c(C#N)cnc4c(Cl)cccc43)CC2)[nH]n1 ZINC000571554877 1114481384 /nfs/dbraw/zinc/48/13/84/1114481384.db2.gz LLFXSDGJVRJJOD-UHFFFAOYSA-N 0 1 351.841 4.175 20 30 FIEDMN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055548917 1114496213 /nfs/dbraw/zinc/49/62/13/1114496213.db2.gz JARBQTBLIFKWFB-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN CCOCCOc1ccccc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 ZINC000080454470 1114603228 /nfs/dbraw/zinc/60/32/28/1114603228.db2.gz TVAIGMJPQDDZQA-HNNXBMFYSA-N 0 1 358.463 4.172 20 30 FIEDMN CCOCCOc1ccccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080454470 1114603229 /nfs/dbraw/zinc/60/32/29/1114603229.db2.gz TVAIGMJPQDDZQA-HNNXBMFYSA-N 0 1 358.463 4.172 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C(C)(C)C)c2)n1 ZINC000572982969 1114941064 /nfs/dbraw/zinc/94/10/64/1114941064.db2.gz CRMHEUXWCZBTNW-AWEZNQCLSA-N 0 1 356.447 4.107 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cccc(C(C)(C)C)c2)n1 ZINC000572982969 1114941065 /nfs/dbraw/zinc/94/10/65/1114941065.db2.gz CRMHEUXWCZBTNW-AWEZNQCLSA-N 0 1 356.447 4.107 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4nc(C#N)c(Cl)s4)C3)[nH]c2c1 ZINC000590582057 1114950522 /nfs/dbraw/zinc/95/05/22/1114950522.db2.gz RBJCCJKSAFTZAP-LLVKDONJSA-N 0 1 357.870 4.237 20 30 FIEDMN N#Cc1cccc(OC2CCN(Cc3cc4cc(Cl)cnc4o3)CC2)c1 ZINC000590638817 1114957145 /nfs/dbraw/zinc/95/71/45/1114957145.db2.gz RXJPNZRBKOARNY-UHFFFAOYSA-N 0 1 367.836 4.396 20 30 FIEDMN C=CCN(Cc1ccc(Cl)s1)C[C@H](O)COCc1ccccc1F ZINC000057944128 1115035196 /nfs/dbraw/zinc/03/51/96/1115035196.db2.gz VAFSNHRYALAVLL-HNNXBMFYSA-N 0 1 369.889 4.106 20 30 FIEDMN N#CC(C(=O)c1cnc(C2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000591862501 1115166035 /nfs/dbraw/zinc/16/60/35/1115166035.db2.gz RXRZIWXHVUPORL-SNVBAGLBSA-N 0 1 358.373 4.255 20 30 FIEDMN N#C[C@H](C(=O)c1cnc(C2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000591862501 1115166038 /nfs/dbraw/zinc/16/60/38/1115166038.db2.gz RXRZIWXHVUPORL-SNVBAGLBSA-N 0 1 358.373 4.255 20 30 FIEDMN Cc1cc(C(C#N)C(=O)CCCn2ccc3cc(Cl)ccc32)nc(C)n1 ZINC000760967029 1115224838 /nfs/dbraw/zinc/22/48/38/1115224838.db2.gz WVLJJPRBTRYMJQ-KRWDZBQOSA-N 0 1 366.852 4.358 20 30 FIEDMN CCC(=O)Nc1cccc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000592973388 1115272317 /nfs/dbraw/zinc/27/23/17/1115272317.db2.gz FHJDADRAMISDCV-CQSZACIVSA-N 0 1 367.405 4.274 20 30 FIEDMN C[C@@H](N[C@H](CCO)c1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000592398035 1115299853 /nfs/dbraw/zinc/29/98/53/1115299853.db2.gz WGZSLVZDQMZGGS-FZKQIMNGSA-N 0 1 364.367 4.231 20 30 FIEDMN N#CCSc1ccccc1NC(=O)CN1CCC[C@H]1CC1CCCC1 ZINC000594054680 1115369980 /nfs/dbraw/zinc/36/99/80/1115369980.db2.gz VKJTVPHZABRIAX-KRWDZBQOSA-N 0 1 357.523 4.285 20 30 FIEDMN COCCOc1cc(C)ccc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594497932 1115449699 /nfs/dbraw/zinc/44/96/99/1115449699.db2.gz LTVGORGVQMZXPC-UHFFFAOYSA-N 0 1 352.478 4.111 20 30 FIEDMN Cn1c(CNCc2ccc(C(C)(C)C#N)cc2)nc2cc(Cl)ccc21 ZINC000594498914 1115450925 /nfs/dbraw/zinc/45/09/25/1115450925.db2.gz CVKNPOLTSCLCMG-UHFFFAOYSA-N 0 1 352.869 4.318 20 30 FIEDMN Cc1nc2cc(NCc3ccc(C(C)(C)C#N)cc3)ccc2n1[C@H](C)CO ZINC000594506547 1115452500 /nfs/dbraw/zinc/45/25/00/1115452500.db2.gz BIKGGEBGBABIAU-OAHLLOKOSA-N 0 1 362.477 4.311 20 30 FIEDMN N#Cc1csc(CNCC2(c3cccc(OC(F)(F)F)c3)CCC2)n1 ZINC000594516349 1115458514 /nfs/dbraw/zinc/45/85/14/1115458514.db2.gz VXYORAPVQWPAHU-UHFFFAOYSA-N 0 1 367.396 4.125 20 30 FIEDMN CN(CCO)Cc1cc(NCc2ccc(C(C)(C)C#N)cc2)ccc1Cl ZINC000594516706 1115458684 /nfs/dbraw/zinc/45/86/84/1115458684.db2.gz CVLRBXHGLLRQTA-UHFFFAOYSA-N 0 1 371.912 4.177 20 30 FIEDMN COc1cc(CNC2(c3ccc(C#N)cc3)CCC2)c(SC)cc1OC ZINC000594521859 1115459442 /nfs/dbraw/zinc/45/94/42/1115459442.db2.gz VCRXTCOSNJPELN-UHFFFAOYSA-N 0 1 368.502 4.466 20 30 FIEDMN N#Cc1cccc(C2(NCc3nc4ccc(F)cc4s3)CCOCC2)c1 ZINC000594980328 1115504996 /nfs/dbraw/zinc/50/49/96/1115504996.db2.gz PLSODVYIGKNSTH-UHFFFAOYSA-N 0 1 367.449 4.103 20 30 FIEDMN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC1(C#N)CCCCC1 ZINC000595091586 1115517707 /nfs/dbraw/zinc/51/77/07/1115517707.db2.gz ROXSSBOEXDHRLS-CQSZACIVSA-N 0 1 363.889 4.129 20 30 FIEDMN CC(C)(C)C(=O)N1CCC[C@H](CN2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000595335673 1115523468 /nfs/dbraw/zinc/52/34/68/1115523468.db2.gz UUHPZCHENCRJPK-NRSPTQNISA-N 0 1 367.537 4.043 20 30 FIEDMN COc1ccc(C#N)cc1CN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000595514983 1115539664 /nfs/dbraw/zinc/53/96/64/1115539664.db2.gz LJXLAICIFXGEDG-GFCCVEGCSA-N 0 1 354.841 4.290 20 30 FIEDMN N#Cc1ccsc1NC(=O)CCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674484 1115556314 /nfs/dbraw/zinc/55/63/14/1115556314.db2.gz JUWOGNPIUIXQRU-QGZVFWFLSA-N 0 1 355.463 4.159 20 30 FIEDMN CC[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000595783460 1115563162 /nfs/dbraw/zinc/56/31/62/1115563162.db2.gz ONKKBLXKNNUHPI-GVDBMIGSSA-N 0 1 359.539 4.387 20 30 FIEDMN N#Cc1ccc(Br)c(CN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595783966 1115563220 /nfs/dbraw/zinc/56/32/20/1115563220.db2.gz QEARKFUXALMDCX-GOSISDBHSA-N 0 1 363.299 4.102 20 30 FIEDMN CC(C)c1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)c(O)c(=O)c1 ZINC000596204496 1115580602 /nfs/dbraw/zinc/58/06/02/1115580602.db2.gz XXDPARRWTICDFC-UHFFFAOYSA-N 0 1 350.462 4.158 20 30 FIEDMN COc1cc(CN2CCC[C@@H](CC#N)C2)ccc1OCc1ccccc1 ZINC000597172520 1115644228 /nfs/dbraw/zinc/64/42/28/1115644228.db2.gz BXIWIGZSIPNCNZ-SFHVURJKSA-N 0 1 350.462 4.400 20 30 FIEDMN N#Cc1ccccc1OCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060481959 1115645639 /nfs/dbraw/zinc/64/56/39/1115645639.db2.gz ARZASCRFYMFZFN-UHFFFAOYSA-N 0 1 368.864 4.185 20 30 FIEDMN CC(C)[C@H](O)[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000597226269 1115650880 /nfs/dbraw/zinc/65/08/80/1115650880.db2.gz KSDBXDLTHQMADI-MOPGFXCFSA-N 0 1 362.395 4.425 20 30 FIEDMN N#CC1(CC(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)CCOCC1 ZINC000597331381 1115659528 /nfs/dbraw/zinc/65/95/28/1115659528.db2.gz HBQZCGHOBVVDNM-UHFFFAOYSA-N 0 1 366.465 4.260 20 30 FIEDMN CC1(C)CCC[C@H](CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593350228 1115664401 /nfs/dbraw/zinc/66/44/01/1115664401.db2.gz CMOOQYFQKCJQGC-GOSISDBHSA-N 0 1 367.537 4.245 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CC4(C#N)CCCCC4)C3)[nH]c2c1 ZINC000597426976 1115664755 /nfs/dbraw/zinc/66/47/55/1115664755.db2.gz QPRVHVRCPNCUDZ-QGZVFWFLSA-N 0 1 364.493 4.442 20 30 FIEDMN CC(C)[C@H]1CC[C@H](C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000593354293 1115666322 /nfs/dbraw/zinc/66/63/22/1115666322.db2.gz OUFRYJQSODBYIM-MEMLXQNLSA-N 0 1 367.537 4.101 20 30 FIEDMN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598597943 1115740005 /nfs/dbraw/zinc/74/00/05/1115740005.db2.gz JXWWRQJXZXETAD-QFBILLFUSA-N 0 1 354.498 4.055 20 30 FIEDMN CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CN2CCC(C#N)CC2)cc1 ZINC000061040357 1115758144 /nfs/dbraw/zinc/75/81/44/1115758144.db2.gz BBYMFTRKLBRJAO-HXUWFJFHSA-N 0 1 372.553 4.376 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)CC(C)C)cc1Cl ZINC000171037012 1115822915 /nfs/dbraw/zinc/82/29/15/1115822915.db2.gz PYQQHMPMYOTWLD-TZMCWYRMSA-N 0 1 350.846 4.068 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC2(CC2)CC1 ZINC000599672925 1115835013 /nfs/dbraw/zinc/83/50/13/1115835013.db2.gz KBDUHJWKYNAGKX-MRXNPFEDSA-N 0 1 357.523 4.285 20 30 FIEDMN N#CCc1cccc2c1CCN(Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000599677968 1115835189 /nfs/dbraw/zinc/83/51/89/1115835189.db2.gz FJBCGUXUINBMQX-UHFFFAOYSA-N 0 1 369.468 4.285 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)o1 ZINC000604573003 1115870193 /nfs/dbraw/zinc/87/01/93/1115870193.db2.gz NXVNTYOCLWAOIQ-UHFFFAOYSA-N 0 1 355.438 4.033 20 30 FIEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccoc2)n1 ZINC000171776757 1115874642 /nfs/dbraw/zinc/87/46/42/1115874642.db2.gz SCIGSJICNSJGCP-ZDUSSCGKSA-N 0 1 371.805 4.018 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3sccc3Br)[nH]c21 ZINC000605362365 1115891141 /nfs/dbraw/zinc/89/11/41/1115891141.db2.gz DEGRKDUKTWGKMG-SECBINFHSA-N 0 1 360.236 4.185 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(OCC(F)(F)F)cc3)[nH]c21 ZINC000605363290 1115891226 /nfs/dbraw/zinc/89/12/26/1115891226.db2.gz SKCKWJCOGIFRQH-CQSZACIVSA-N 0 1 373.334 4.303 20 30 FIEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000593968200 1115940626 /nfs/dbraw/zinc/94/06/26/1115940626.db2.gz JNDBHWVPISQOJB-XOBRGWDASA-N 0 1 374.444 4.103 20 30 FIEDMN C#CCOc1ccccc1CNCc1ccc(Oc2cccnc2)c(F)c1 ZINC000063549280 1116079221 /nfs/dbraw/zinc/07/92/21/1116079221.db2.gz IUUSANGLIQUMHK-UHFFFAOYSA-N 0 1 362.404 4.315 20 30 FIEDMN Cc1ccc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)cc1C ZINC000063619425 1116088313 /nfs/dbraw/zinc/08/83/13/1116088313.db2.gz ODROAAVRTVQRDO-JOCHJYFZSA-N 0 1 361.489 4.387 20 30 FIEDMN N#CC(C(=O)Cc1cc(F)ccc1F)c1nc2ccccc2n1C(F)F ZINC000174000997 1116103744 /nfs/dbraw/zinc/10/37/44/1116103744.db2.gz LUIHYUNPPDEYED-GFCCVEGCSA-N 0 1 361.298 4.129 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C2CCCCCCC2)cc1Cl ZINC000173980029 1116104778 /nfs/dbraw/zinc/10/47/78/1116104778.db2.gz HYALZXJFSZTLAD-HNNXBMFYSA-N 0 1 362.857 4.356 20 30 FIEDMN CCN(CC)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000063784029 1116110130 /nfs/dbraw/zinc/11/01/30/1116110130.db2.gz SDROWYDJLJYRGL-UHFFFAOYSA-N 0 1 357.841 4.284 20 30 FIEDMN COc1ccc(CN2CCC[C@H]2c2ccccn2)cc1OCCCC#N ZINC000534331823 1116185726 /nfs/dbraw/zinc/18/57/26/1116185726.db2.gz OKLVNAGSCINVMH-IBGZPJMESA-N 0 1 351.450 4.110 20 30 FIEDMN COc1ccc(CN(Cc2ccccn2)C(C)C)cc1OCCCC#N ZINC000534347201 1116186979 /nfs/dbraw/zinc/18/69/79/1116186979.db2.gz YGZDOAYFFBAGCL-UHFFFAOYSA-N 0 1 353.466 4.183 20 30 FIEDMN Cc1oc(C#N)cc1C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457350632 1116269129 /nfs/dbraw/zinc/26/91/29/1116269129.db2.gz CVJMAPAGDLHRTR-QGZVFWFLSA-N 0 1 368.824 4.357 20 30 FIEDMN Cn1cc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(-c2ccccc2)n1 ZINC000539407158 1116332583 /nfs/dbraw/zinc/33/25/83/1116332583.db2.gz JUTSTYDFULEQKW-FCHUYYIVSA-N 0 1 356.473 4.359 20 30 FIEDMN CC[C@H]1CC[C@H](C)N1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000540054461 1117844162 /nfs/dbraw/zinc/84/41/62/1117844162.db2.gz RCCSDVUTZIMIRH-YOEHRIQHSA-N 0 1 356.514 4.293 20 30 FIEDMN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NCc1ccc(C#N)o1 ZINC000540601648 1118143054 /nfs/dbraw/zinc/14/30/54/1118143054.db2.gz NWQVZWLAXLHDKG-QLJPJBMISA-N 0 1 363.280 4.486 20 30 FIEDMN OC[C@@]1(Cc2ccccc2)CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000463443158 1118157474 /nfs/dbraw/zinc/15/74/74/1118157474.db2.gz ITCVWXHOLSBOEY-JOCHJYFZSA-N 0 1 353.893 4.009 20 30 FIEDMN CC(C)[C@@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1F ZINC000541061066 1118365604 /nfs/dbraw/zinc/36/56/04/1118365604.db2.gz VAKHPCXNMKGNOJ-BOFPYLFWSA-N 0 1 367.896 4.209 20 30 FIEDMN C=CCN(Cc1ccc(Cl)s1)Cc1cn(-c2ccncc2)nc1C ZINC000541536694 1118554344 /nfs/dbraw/zinc/55/43/44/1118554344.db2.gz IIKMLDUYOJEWPM-UHFFFAOYSA-N 0 1 358.898 4.479 20 30 FIEDMN N#CC(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000464464113 1118571377 /nfs/dbraw/zinc/57/13/77/1118571377.db2.gz CWYVCFJUQPTHCT-LBPRGKRZSA-N 0 1 369.686 4.152 20 30 FIEDMN C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000541653169 1118598041 /nfs/dbraw/zinc/59/80/41/1118598041.db2.gz JKERYSZCEQHAGG-DOTOQJQBSA-N 0 1 374.550 4.260 20 30 FIEDMN Cc1cccc([C@@H]2CCCCN2CC(=O)NCc2cccc(C#N)c2)c1C ZINC000464782253 1118692772 /nfs/dbraw/zinc/69/27/72/1118692772.db2.gz WERBUGSHJJUAMX-QFIPXVFZSA-N 0 1 361.489 4.019 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1ccncc1CC ZINC000542124198 1118798031 /nfs/dbraw/zinc/79/80/31/1118798031.db2.gz XGQUSWQDVOSNQQ-HNNXBMFYSA-N 0 1 355.507 4.211 20 30 FIEDMN C=CCCC[C@H](C)NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000542408110 1118923554 /nfs/dbraw/zinc/92/35/54/1118923554.db2.gz KQBLMJDNLVUBSR-WMZOPIPTSA-N 0 1 373.545 4.486 20 30 FIEDMN CCC(CC)CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000151583616 1118938964 /nfs/dbraw/zinc/93/89/64/1118938964.db2.gz RGCFQGSPHROINT-CQSZACIVSA-N 0 1 354.422 4.475 20 30 FIEDMN C[C@@H]1CC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000151584218 1118939062 /nfs/dbraw/zinc/93/90/62/1118939062.db2.gz LVOGKLJUJUTGQO-LALPHHSUSA-N 0 1 366.433 4.475 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)COC(c2ccccc2)c2ccccc2)c1 ZINC000176401528 1119003047 /nfs/dbraw/zinc/00/30/47/1119003047.db2.gz GAOCMGISULLNKK-UHFFFAOYSA-N 0 1 358.397 4.009 20 30 FIEDMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cc(C#N)ccc1Br ZINC000492657999 1119152981 /nfs/dbraw/zinc/15/29/81/1119152981.db2.gz TZVHOBRLKABSBR-ZDUSSCGKSA-N 0 1 359.267 4.089 20 30 FIEDMN CCS[C@H]1CC[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000174880731 1119158778 /nfs/dbraw/zinc/15/87/78/1119158778.db2.gz JIORKONQPXSYCJ-SJORKVTESA-N 0 1 369.534 4.344 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)n1 ZINC000176615280 1119285552 /nfs/dbraw/zinc/28/55/52/1119285552.db2.gz VNJRXNAPMTXQHB-MRXNPFEDSA-N 0 1 363.442 4.316 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(OC[C@@H]3CCCO3)c2)n1 ZINC000177777348 1119351081 /nfs/dbraw/zinc/35/10/81/1119351081.db2.gz LTLYHFXUAMDENP-DLBZAZTESA-N 0 1 370.474 4.314 20 30 FIEDMN C[C@H](C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)(F)F ZINC000493307180 1119437577 /nfs/dbraw/zinc/43/75/77/1119437577.db2.gz VUMVAJXDOMNENS-MUWHJKNJSA-N 0 1 365.220 4.206 20 30 FIEDMN C=CCC(C)(C)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493921278 1119514468 /nfs/dbraw/zinc/51/44/68/1119514468.db2.gz WHTFHLAQANVWQW-PBHICJAKSA-N 0 1 352.881 4.190 20 30 FIEDMN Cc1[nH]ncc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000609164230 1119543295 /nfs/dbraw/zinc/54/32/95/1119543295.db2.gz JIYLYTVJIGXRLN-MRXNPFEDSA-N 0 1 350.809 4.279 20 30 FIEDMN FC(F)(F)c1ccn(C2CCN(CC#Cc3cccc(Cl)c3)CC2)n1 ZINC000183191052 1119568493 /nfs/dbraw/zinc/56/84/93/1119568493.db2.gz QVQVLNIOBWOVMI-UHFFFAOYSA-N 0 1 367.802 4.244 20 30 FIEDMN N#CCc1ccc(OCc2cccc(NC(=O)c3cn[nH]c3C3CC3)c2)cc1 ZINC000190145449 1119929156 /nfs/dbraw/zinc/92/91/56/1119929156.db2.gz FCAGUJPILKMIMR-UHFFFAOYSA-N 0 1 372.428 4.184 20 30 FIEDMN COc1cc(Br)ccc1[C@H](C)NCc1cc(C#N)cs1 ZINC000190445243 1119937863 /nfs/dbraw/zinc/93/78/63/1119937863.db2.gz BAYBNRNGASGISG-JTQLQIEISA-N 0 1 351.269 4.242 20 30 FIEDMN COc1ccc(C#N)cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000494603762 1119988111 /nfs/dbraw/zinc/98/81/11/1119988111.db2.gz VAKVJPXODSKJOB-UHFFFAOYSA-N 0 1 364.426 4.035 20 30 FIEDMN C[C@H](CN(C)Cc1cc(C#N)ccc1Br)c1nccs1 ZINC000191824306 1119997337 /nfs/dbraw/zinc/99/73/37/1119997337.db2.gz QOPOQRABHGATBA-LLVKDONJSA-N 0 1 350.285 4.013 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4ncc(Cl)c(C)c4C#N)C3)[nH]c2c1 ZINC000542507772 1120287647 /nfs/dbraw/zinc/28/76/47/1120287647.db2.gz LSOBQEOCJOCTEA-AWEZNQCLSA-N 0 1 365.868 4.484 20 30 FIEDMN N#CC(C(=O)c1csc(C2CC2)n1)c1nc2ccccc2n1C(F)F ZINC000194990462 1120330060 /nfs/dbraw/zinc/33/00/60/1120330060.db2.gz UQTCETSUCXZSMH-SNVBAGLBSA-N 0 1 358.373 4.255 20 30 FIEDMN N#C[C@H](C(=O)c1csc(C2CC2)n1)c1nc2ccccc2n1C(F)F ZINC000194990462 1120330066 /nfs/dbraw/zinc/33/00/66/1120330066.db2.gz UQTCETSUCXZSMH-SNVBAGLBSA-N 0 1 358.373 4.255 20 30 FIEDMN Cc1cc(CN=Nc2ccc(S(C)(=O)=O)cc2)c(C)n1C1CCCCC1 ZINC000914835520 1120553108 /nfs/dbraw/zinc/55/31/08/1120553108.db2.gz IAGCEVHGXABSAM-UHFFFAOYSA-N 0 1 373.522 4.460 20 30 FIEDMN Clc1ccccc1-c1ccc(C=NNc2ccc(-n3ccnc3)nn2)o1 ZINC000761861049 1120556534 /nfs/dbraw/zinc/55/65/34/1120556534.db2.gz UDYSJJIOPSMTQW-UHFFFAOYSA-N 0 1 364.796 4.022 20 30 FIEDMN C#Cc1cccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000915340263 1120926077 /nfs/dbraw/zinc/92/60/77/1120926077.db2.gz VZPVWYZIMOJYPS-HXUWFJFHSA-N 0 1 367.880 4.280 20 30 FIEDMN CC(C)c1[nH]ncc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000193537782 1120944914 /nfs/dbraw/zinc/94/49/14/1120944914.db2.gz PAKWEEXFCMVEFI-UHFFFAOYSA-N 0 1 360.417 4.236 20 30 FIEDMN CSc1nccn1-c1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000193538018 1120946891 /nfs/dbraw/zinc/94/68/91/1120946891.db2.gz ODVPCLYUDIYGPC-OAHLLOKOSA-N 0 1 374.425 4.225 20 30 FIEDMN N#Cc1ccc(CNCc2ccc(Oc3cc(F)cc(F)c3)cc2)nc1 ZINC000780553506 1121072060 /nfs/dbraw/zinc/07/20/60/1121072060.db2.gz BSSRGCNHCMSNCK-UHFFFAOYSA-N 0 1 351.356 4.314 20 30 FIEDMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCc1ccc(OCC#N)cc1 ZINC000171769562 1121192857 /nfs/dbraw/zinc/19/28/57/1121192857.db2.gz VIULRIXZYSCOBN-UHFFFAOYSA-N 0 1 374.488 4.049 20 30 FIEDMN COC(=O)COc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000915979229 1121360143 /nfs/dbraw/zinc/36/01/43/1121360143.db2.gz NBHBQWWGAXCNLI-UHFFFAOYSA-N 0 1 354.189 4.001 20 30 FIEDMN N#CCCn1cc(C(=O)CN2CC[C@H](c3ccccc3)C2)c2ccccc21 ZINC000123385241 1121469137 /nfs/dbraw/zinc/46/91/37/1121469137.db2.gz KVSSYDJZIKKONZ-IBGZPJMESA-N 0 1 357.457 4.227 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000916627393 1121565376 /nfs/dbraw/zinc/56/53/76/1121565376.db2.gz RCOKBFKGNZLNHP-AWEZNQCLSA-N 0 1 357.335 4.011 20 30 FIEDMN N#Cc1ccc([C@@H](O)CN(Cc2ccccc2)Cc2ccccc2F)cc1 ZINC000763409109 1121577145 /nfs/dbraw/zinc/57/71/45/1121577145.db2.gz UAEZQVDOEKXDHT-QHCPKHFHSA-N 0 1 360.432 4.433 20 30 FIEDMN C=CCOc1ccc(CN2CCC(C(=O)c3ccccc3)CC2)cc1OC ZINC000124002539 1121654903 /nfs/dbraw/zinc/65/49/03/1121654903.db2.gz ZRWVSPRXOBZVRQ-UHFFFAOYSA-N 0 1 365.473 4.355 20 30 FIEDMN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753032 1121746983 /nfs/dbraw/zinc/74/69/83/1121746983.db2.gz VTOFOVSPOCDFTR-GFCCVEGCSA-N 0 1 360.335 4.255 20 30 FIEDMN N#CCOc1ccc(CNCc2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000916835021 1121877067 /nfs/dbraw/zinc/87/70/67/1121877067.db2.gz ZVEVHLGXGBNIBX-UHFFFAOYSA-N 0 1 363.392 4.205 20 30 FIEDMN Cc1cc([C@H](C#N)C(=O)CSc2cccc(C(F)(F)F)c2)nc(C)n1 ZINC000916880190 1121907424 /nfs/dbraw/zinc/90/74/24/1121907424.db2.gz NSVKHLKJMQZEQU-AWEZNQCLSA-N 0 1 365.380 4.081 20 30 FIEDMN CCCCC1CCC(C(=O)C(C#N)C(=O)Nc2ccccc2OC)CC1 ZINC000916931383 1121935481 /nfs/dbraw/zinc/93/54/81/1121935481.db2.gz RMNUIVSGXJKDBY-JCYILVPMSA-N 0 1 356.466 4.339 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000126233635 1121938770 /nfs/dbraw/zinc/93/87/70/1121938770.db2.gz UUXZLSBFAHQUCA-GJZGRUSLSA-N 0 1 373.859 4.465 20 30 FIEDMN N#Cc1cccc(OCC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000917047023 1122014466 /nfs/dbraw/zinc/01/44/66/1122014466.db2.gz OSGFHDSUZNZBEP-AWEZNQCLSA-N 0 1 367.817 4.077 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000066814051 1122099247 /nfs/dbraw/zinc/09/92/47/1122099247.db2.gz ARUBBGLFUSPWQK-LLVKDONJSA-N 0 1 368.430 4.160 20 30 FIEDMN C=CCCONC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001168627605 1122188556 /nfs/dbraw/zinc/18/85/56/1122188556.db2.gz RZUSFQPHXIRANJ-UHFFFAOYSA-N 0 1 357.262 4.283 20 30 FIEDMN C=CCN(CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)C(C)C ZINC000917167946 1122214063 /nfs/dbraw/zinc/21/40/63/1122214063.db2.gz JUCCTAHCJAYLJE-QFIPXVFZSA-N 0 1 354.469 4.270 20 30 FIEDMN Fc1cccc(F)c1CN=Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000917215584 1122234624 /nfs/dbraw/zinc/23/46/24/1122234624.db2.gz VHEMDQBVINIBRY-UHFFFAOYSA-N 0 1 352.266 4.373 20 30 FIEDMN CCc1ccc([C@@H](C)NC(=O)CN(CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000497609075 1122306680 /nfs/dbraw/zinc/30/66/80/1122306680.db2.gz DKTUPHAPLZMBRE-MSOLQXFVSA-N 0 1 363.505 4.381 20 30 FIEDMN CCN(CC(=O)N[C@H](C)c1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497610878 1122309980 /nfs/dbraw/zinc/30/99/80/1122309980.db2.gz MEDKYKVCTWSMJH-CVEARBPZSA-N 0 1 369.896 4.472 20 30 FIEDMN CCCN(CC(=O)N[C@@H](C)c1ccc(CC)cc1)Cc1ccc(C#N)cc1 ZINC000107700530 1122314446 /nfs/dbraw/zinc/31/44/46/1122314446.db2.gz WSHGFBOSBKSJJI-SFHVURJKSA-N 0 1 363.505 4.210 20 30 FIEDMN Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1ncccc1Cl ZINC000917546545 1122348520 /nfs/dbraw/zinc/34/85/20/1122348520.db2.gz QMCPZFAZNXXLMP-UHFFFAOYSA-N 0 1 360.248 4.388 20 30 FIEDMN COC(=O)COc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)c(C)c1 ZINC000917558124 1122352175 /nfs/dbraw/zinc/35/21/75/1122352175.db2.gz HLUPQODRYLRYRE-UHFFFAOYSA-N 0 1 368.216 4.310 20 30 FIEDMN Clc1ccccc1-c1ccc(C=NNc2ncnc3nc[nH]c32)s1 ZINC000917556212 1122360325 /nfs/dbraw/zinc/36/03/25/1122360325.db2.gz WRMVAARBQBAXRK-UHFFFAOYSA-N 0 1 354.826 4.181 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CN[C@@H]2CCc3c2cc(F)cc3F)ccc1OC ZINC000154691606 1122610889 /nfs/dbraw/zinc/61/08/89/1122610889.db2.gz LWKRKXITYHCNLZ-DNVCBOLYSA-N 0 1 372.415 4.431 20 30 FIEDMN C[C@H](c1ccc2ccccc2c1)N(CC(=O)N(CCC#N)CCC#N)C1CC1 ZINC000070694211 1122781032 /nfs/dbraw/zinc/78/10/32/1122781032.db2.gz MWKVXRXVSQQFIW-GOSISDBHSA-N 0 1 374.488 4.021 20 30 FIEDMN CN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000130449863 1122848205 /nfs/dbraw/zinc/84/82/05/1122848205.db2.gz MJXNRSRDYJOGAK-UHFFFAOYSA-N 0 1 366.415 4.374 20 30 FIEDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000920174971 1123403368 /nfs/dbraw/zinc/40/33/68/1123403368.db2.gz RUHVBSXOUBWTMX-IQLVASAKSA-N 0 1 373.840 4.208 20 30 FIEDMN Oc1c(Cl)cc(Cl)cc1/C=N/Cc1ccc(N2CCOCC2)cc1 ZINC000920174499 1123403395 /nfs/dbraw/zinc/40/33/95/1123403395.db2.gz NSDQOHHBKKHZKD-CIAFOILYSA-N 0 1 365.260 4.155 20 30 FIEDMN CCCOCC(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000920875977 1123532686 /nfs/dbraw/zinc/53/26/86/1123532686.db2.gz YZAAHGAEBPPZNO-OCABNYQQSA-N 0 1 358.507 4.214 20 30 FIEDMN COC(=O)c1cc(C/N=C/c2cc(Cl)cc(Cl)c2O)ccc1OC ZINC000920942341 1123539645 /nfs/dbraw/zinc/53/96/45/1123539645.db2.gz ZBMGWZXHDQBXOR-AWQFTUOYSA-N 0 1 368.216 4.113 20 30 FIEDMN COc1cccc(/C=N\C[C@H](c2ccccc2Cl)N2CCCC2)c1O ZINC000920945303 1123540334 /nfs/dbraw/zinc/54/03/34/1123540334.db2.gz VJINKTQESHOWIO-QLTNSANVSA-N 0 1 358.869 4.310 20 30 FIEDMN C=CCOc1cccc(CNCC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000920956662 1123542265 /nfs/dbraw/zinc/54/22/65/1123542265.db2.gz UIPONAPJYIRRAQ-UHFFFAOYSA-N 0 1 365.260 4.287 20 30 FIEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000609541514 1123747804 /nfs/dbraw/zinc/74/78/04/1123747804.db2.gz XWPVAZDPEUVJJY-RHSMWYFYSA-N 0 1 353.853 4.028 20 30 FIEDMN CN(Cc1cn(C)nc1-c1cc2ccccc2o1)Cc1cccc(C#N)c1 ZINC000130772796 1123843910 /nfs/dbraw/zinc/84/39/10/1123843910.db2.gz FFKLCAFHCRHPQX-UHFFFAOYSA-N 0 1 356.429 4.337 20 30 FIEDMN CCCc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000609985611 1123907898 /nfs/dbraw/zinc/90/78/98/1123907898.db2.gz XLQDVQYTOTVRNS-UHFFFAOYSA-N 0 1 368.380 4.330 20 30 FIEDMN Cc1ccc([C@@H]2[C@H](C)CCCN2CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000610004218 1123914817 /nfs/dbraw/zinc/91/48/17/1123914817.db2.gz FLFAQHRDOKCVQD-NQIIRXRSSA-N 0 1 353.510 4.111 20 30 FIEDMN N#CC(C(=O)[C@H]1CCOc2ccccc21)c1nc2ccccc2n1C(F)F ZINC000170849175 1123940797 /nfs/dbraw/zinc/94/07/97/1123940797.db2.gz VFBOOTSCAOECMI-KBPBESRZSA-N 0 1 367.355 4.174 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1c1ccccc1Cl ZINC000610132872 1123949376 /nfs/dbraw/zinc/94/93/76/1123949376.db2.gz UWWRVHDCIABNAH-GOSISDBHSA-N 0 1 356.853 4.436 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(NC(=O)NC3CC3)c2)n1 ZINC000080450098 1123965885 /nfs/dbraw/zinc/96/58/85/1123965885.db2.gz GVEPGYDDCZEZPX-OAHLLOKOSA-N 0 1 368.462 4.040 20 30 FIEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2N(C)C(=O)C2CC2)n1 ZINC000080452802 1123966255 /nfs/dbraw/zinc/96/62/55/1123966255.db2.gz VANLDXFKPBWJSX-HNNXBMFYSA-N 0 1 367.474 4.129 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccccc2N(C)C(=O)C2CC2)n1 ZINC000080452802 1123966258 /nfs/dbraw/zinc/96/62/58/1123966258.db2.gz VANLDXFKPBWJSX-HNNXBMFYSA-N 0 1 367.474 4.129 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(Oc3cnccn3)c2)n1 ZINC000080456070 1123966327 /nfs/dbraw/zinc/96/63/27/1123966327.db2.gz PQNNFTROTNSBIL-HNNXBMFYSA-N 0 1 364.430 4.339 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2ccccc2SCCC#N)c(C)s1 ZINC000108250815 1124269056 /nfs/dbraw/zinc/26/90/56/1124269056.db2.gz AOSZBCZKHDUETF-UHFFFAOYSA-N 0 1 352.506 4.172 20 30 FIEDMN CC(C)[N@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302066500 1124280625 /nfs/dbraw/zinc/28/06/25/1124280625.db2.gz ULPHKCKMHNPTRA-MJGOQNOKSA-N 0 1 358.848 4.382 20 30 FIEDMN CC(C)N1CC[C@@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302066500 1124280630 /nfs/dbraw/zinc/28/06/30/1124280630.db2.gz ULPHKCKMHNPTRA-MJGOQNOKSA-N 0 1 358.848 4.382 20 30 FIEDMN CC(C)N1CC[C@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302066501 1124281710 /nfs/dbraw/zinc/28/17/10/1124281710.db2.gz ULPHKCKMHNPTRA-PKOBYXMFSA-N 0 1 358.848 4.382 20 30 FIEDMN COc1ccccc1[C@H](CNc1cc(C#N)ccc1C(C)=O)N1CCCC1 ZINC000302128208 1124285651 /nfs/dbraw/zinc/28/56/51/1124285651.db2.gz XCZXVECRFIQRPP-NRFANRHFSA-N 0 1 363.461 4.018 20 30 FIEDMN N#Cc1ccc([N+](=O)[O-])c(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000302225808 1124296146 /nfs/dbraw/zinc/29/61/46/1124296146.db2.gz VSVKQDHCTVCYNN-UHFFFAOYSA-N 0 1 357.782 4.056 20 30 FIEDMN CC(C)(C)c1nn(Cc2ccccc2)cc1CNCc1cccc(C#N)c1 ZINC000123158962 1124381727 /nfs/dbraw/zinc/38/17/27/1124381727.db2.gz SRQUGPZQNANKQN-UHFFFAOYSA-N 0 1 358.489 4.390 20 30 FIEDMN N#CC(C(=O)Cc1cccc(F)c1F)c1nc2ccccc2n1C(F)F ZINC000181015053 1124506384 /nfs/dbraw/zinc/50/63/84/1124506384.db2.gz YBTOKTJAMQWJGI-LLVKDONJSA-N 0 1 361.298 4.129 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2cc(OC(F)F)cc(OC(F)F)c2)n1 ZINC000181011954 1124510804 /nfs/dbraw/zinc/51/08/04/1124510804.db2.gz ZMGRUGFKFXLPFN-LLVKDONJSA-N 0 1 374.315 4.144 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(OC(F)F)cc(OC(F)F)c2)n1 ZINC000181011954 1124510809 /nfs/dbraw/zinc/51/08/09/1124510809.db2.gz ZMGRUGFKFXLPFN-LLVKDONJSA-N 0 1 374.315 4.144 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](c2cccc(F)c2)C(C)(C)C)c(C#N)c1C ZINC000181063195 1124524589 /nfs/dbraw/zinc/52/45/89/1124524589.db2.gz UUULGKVWJHYQAA-GOSISDBHSA-N 0 1 357.429 4.223 20 30 FIEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cn(C)nc2C2CCCC2)c1 ZINC000921743759 1124543984 /nfs/dbraw/zinc/54/39/84/1124543984.db2.gz RHRQHHKEIQHAHA-IBGZPJMESA-N 0 1 352.482 4.048 20 30 FIEDMN COc1ccc(CN(CCc2ccccc2)Cc2cccnc2)cc1C#N ZINC000617547725 1124750754 /nfs/dbraw/zinc/75/07/54/1124750754.db2.gz GITJUVIONYFSSR-UHFFFAOYSA-N 0 1 357.457 4.207 20 30 FIEDMN CC(=O)Nc1cccc([C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000090180618 1124987722 /nfs/dbraw/zinc/98/77/22/1124987722.db2.gz BNOGDMLZCXOWGN-AWEZNQCLSA-N 0 1 360.379 4.366 20 30 FIEDMN CCSc1ccc([C@H](C)NCC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000182121659 1125245649 /nfs/dbraw/zinc/24/56/49/1125245649.db2.gz AUBAEVDXPCASNO-ZDUSSCGKSA-N 0 1 357.479 4.169 20 30 FIEDMN C[C@H](CC1(C#N)CCOCC1)NCc1cc(F)c(C(F)(F)F)cc1F ZINC000602665394 568013330 /nfs/dbraw/zinc/01/33/30/568013330.db2.gz ISRASBVJIAHXDF-LLVKDONJSA-N 0 1 362.342 4.172 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602925357 568018373 /nfs/dbraw/zinc/01/83/73/568018373.db2.gz MTCVBVIJDCAWHX-SFHVURJKSA-N 0 1 362.395 4.330 20 30 FIEDMN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccnc1OCC(F)F ZINC000481648355 568080526 /nfs/dbraw/zinc/08/05/26/568080526.db2.gz XPUQGVAFPBPKRN-GOSISDBHSA-N 0 1 357.404 4.154 20 30 FIEDMN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(Br)cn1 ZINC000568824501 568233792 /nfs/dbraw/zinc/23/37/92/568233792.db2.gz WUYHQRDNWNUIEU-KZULUSFZSA-N 0 1 356.267 4.444 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000302802975 568237917 /nfs/dbraw/zinc/23/79/17/568237917.db2.gz DXKSXMGGONCYRV-WMZOPIPTSA-N 0 1 353.491 4.220 20 30 FIEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]1c1cccs1 ZINC000302802975 568237918 /nfs/dbraw/zinc/23/79/18/568237918.db2.gz DXKSXMGGONCYRV-WMZOPIPTSA-N 0 1 353.491 4.220 20 30 FIEDMN CN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCc2ccccc21 ZINC000008126468 568268648 /nfs/dbraw/zinc/26/86/48/568268648.db2.gz GZPQVDSOQNGGDK-IBGZPJMESA-N 0 1 353.853 4.160 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCC(C)(C)CC1 ZINC000303852674 568282402 /nfs/dbraw/zinc/28/24/02/568282402.db2.gz DYVWDCFZUXNRSR-INIZCTEOSA-N 0 1 359.539 4.389 20 30 FIEDMN C[C@@H]1CN(Cc2cccc(N[C@@H]3CCc4ccc(C#N)cc43)c2)C[C@H](C)O1 ZINC000569294132 568342274 /nfs/dbraw/zinc/34/22/74/568342274.db2.gz JCKMHQLSGUJKNP-SAHWJRBASA-N 0 1 361.489 4.267 20 30 FIEDMN C[C@@H]1CN(Cc2cccc(N[C@@H]3CCc4ccc(C#N)cc43)c2)C[C@@H](C)O1 ZINC000569294133 568342283 /nfs/dbraw/zinc/34/22/83/568342283.db2.gz JCKMHQLSGUJKNP-SEPYTNNBSA-N 0 1 361.489 4.267 20 30 FIEDMN O=C(NC(CCC(F)(F)F)CCC(F)(F)F)c1ccc(F)cc1O ZINC000619127039 1125475128 /nfs/dbraw/zinc/47/51/28/1125475128.db2.gz QGQGRXFFFRJHJC-UHFFFAOYSA-N 0 1 361.257 4.315 20 30 FIEDMN Cc1cc(C#N)ccc1CN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000619516715 1125609963 /nfs/dbraw/zinc/60/99/63/1125609963.db2.gz DZRQPKRRDXLKOG-QGZVFWFLSA-N 0 1 368.786 4.362 20 30 FIEDMN CC(C)(C)c1cccc(OCCN2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000619723007 1125669610 /nfs/dbraw/zinc/66/96/10/1125669610.db2.gz RMWMWENYTHDYEX-UHFFFAOYSA-N 0 1 363.505 4.315 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000619724914 1125670515 /nfs/dbraw/zinc/67/05/15/1125670515.db2.gz WFMKVWJLTGMXDH-XZOQPEGZSA-N 0 1 369.468 4.128 20 30 FIEDMN CCOc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000619755410 1125680739 /nfs/dbraw/zinc/68/07/39/1125680739.db2.gz IJHODRBROSMMLV-GFCCVEGCSA-N 0 1 359.813 4.369 20 30 FIEDMN N#C[C@H](C(=O)c1ccc2[nH]c(=O)oc2c1)c1nc2cc(Cl)ccc2s1 ZINC000619753851 1125680932 /nfs/dbraw/zinc/68/09/32/1125680932.db2.gz YNFLAPLATHHABO-SNVBAGLBSA-N 0 1 369.789 4.287 20 30 FIEDMN N#CC(C(=O)c1ccc2[nH]c(=O)oc2c1)c1nc2cc(Cl)ccc2s1 ZINC000619753851 1125680937 /nfs/dbraw/zinc/68/09/37/1125680937.db2.gz YNFLAPLATHHABO-SNVBAGLBSA-N 0 1 369.789 4.287 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ccsc1 ZINC000619783654 1125696153 /nfs/dbraw/zinc/69/61/53/1125696153.db2.gz WNYJMDDWGOCZPQ-KGLIPLIRSA-N 0 1 359.520 4.432 20 30 FIEDMN Cc1nc2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2[nH]1 ZINC000619803783 1125703282 /nfs/dbraw/zinc/70/32/82/1125703282.db2.gz LDZKJAHESPYOCM-UHFFFAOYSA-N 0 1 369.384 4.183 20 30 FIEDMN COc1cccc(OCC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000120062537 1079526693 /nfs/dbraw/zinc/52/66/93/1079526693.db2.gz OHRAHQLZIBTORI-AWEZNQCLSA-N 0 1 372.833 4.214 20 30 FIEDMN N#Cc1c(NC(=O)CN(C2CC2)C2CCCC2)sc2c1CCCCC2 ZINC000064808160 1079977567 /nfs/dbraw/zinc/97/75/67/1079977567.db2.gz LVQMYYRECLBHRO-UHFFFAOYSA-N 0 1 357.523 4.234 20 30 FIEDMN COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc1Cl ZINC000120057769 1080344755 /nfs/dbraw/zinc/34/47/55/1080344755.db2.gz CAJFBFSHSOHONS-CYBMUJFWSA-N 0 1 369.833 4.357 20 30 FIEDMN COc1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)ccc1Cl ZINC000120057769 1080344757 /nfs/dbraw/zinc/34/47/57/1080344757.db2.gz CAJFBFSHSOHONS-CYBMUJFWSA-N 0 1 369.833 4.357 20 30 FIEDMN N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCc4[nH]ncc43)cc2)cc1 ZINC000134765409 1080369584 /nfs/dbraw/zinc/36/95/84/1080369584.db2.gz YOGPYXVMMYNVCI-GOSISDBHSA-N 0 1 358.401 4.132 20 30 FIEDMN N#Cc1cc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cs1 ZINC001266384018 1080618292 /nfs/dbraw/zinc/61/82/92/1080618292.db2.gz SBRQKQZHDYOWTC-UHFFFAOYSA-N 0 1 371.425 4.324 20 30 FIEDMN N#Cc1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)cs1 ZINC001266384018 1080618298 /nfs/dbraw/zinc/61/82/98/1080618298.db2.gz SBRQKQZHDYOWTC-UHFFFAOYSA-N 0 1 371.425 4.324 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000120950185 1081075739 /nfs/dbraw/zinc/07/57/39/1081075739.db2.gz VULSINLWGFIEMY-HNNXBMFYSA-N 0 1 362.820 4.058 20 30 FIEDMN N#Cc1ccc(CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)s1 ZINC000176959135 1081173078 /nfs/dbraw/zinc/17/30/78/1081173078.db2.gz SLWQAXSVIDDORB-UHFFFAOYSA-N 0 1 365.433 4.301 20 30 FIEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1cc(Br)ccc1F ZINC000255106791 1081188862 /nfs/dbraw/zinc/18/88/62/1081188862.db2.gz AYMWVYCQHJAKEV-BHQIHCQQSA-N 0 1 366.142 4.098 20 30 FIEDMN CC(C)(C)[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(F)cc1F ZINC000560256550 1081306833 /nfs/dbraw/zinc/30/68/33/1081306833.db2.gz FNNAMMCPAHGJSN-IBGZPJMESA-N 0 1 354.404 4.361 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cc1Cl ZINC000547990426 1081377753 /nfs/dbraw/zinc/37/77/53/1081377753.db2.gz SWPAKKYHBURWFL-UHFFFAOYSA-N 0 1 373.803 4.402 20 30 FIEDMN C[C@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cccc(C#N)c1 ZINC000610346110 1081501200 /nfs/dbraw/zinc/50/12/00/1081501200.db2.gz LUFDJQQKGWPVHT-SCLBCKFNSA-N 0 1 373.378 4.033 20 30 FIEDMN CCO[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1(CC)CC ZINC000083249219 1081561829 /nfs/dbraw/zinc/56/18/29/1081561829.db2.gz VFKZCTMKYGAVBD-QZTJIDSGSA-N 0 1 368.481 4.024 20 30 FIEDMN Oc1c(Cl)cc(Cl)cc1C=Nc1cc(F)cc(N2CCOCC2)c1 ZINC000748149115 1081710342 /nfs/dbraw/zinc/71/03/42/1081710342.db2.gz TYGNESRDNGFVOU-UHFFFAOYSA-N 0 1 369.223 4.425 20 30 FIEDMN CC(C)NC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000155690944 1081876515 /nfs/dbraw/zinc/87/65/15/1081876515.db2.gz PMKKYZOTDKZIDN-LLVKDONJSA-N 0 1 354.262 4.249 20 30 FIEDMN C=C(C)COc1cc(CN[C@H]2CCOc3ccc(F)cc32)ccc1OC ZINC000068985440 1082206078 /nfs/dbraw/zinc/20/60/78/1082206078.db2.gz KNZLYNIOLRZFPD-SFHVURJKSA-N 0 1 357.425 4.403 20 30 FIEDMN C[C@H](NCc1ccc(C#N)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000177860035 1082216054 /nfs/dbraw/zinc/21/60/54/1082216054.db2.gz BFIKVUHVSROPFY-LBPRGKRZSA-N 0 1 352.331 4.489 20 30 FIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000610717117 1083353396 /nfs/dbraw/zinc/35/33/96/1083353396.db2.gz UNPRCOOGULHCTC-RBUKOAKNSA-N 0 1 374.488 4.161 20 30 FIEDMN N#C[C@@H](C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nc(C2CC2)cs1 ZINC000647378840 1083369477 /nfs/dbraw/zinc/36/94/77/1083369477.db2.gz DPEJVHRBMNTSPH-ZDUSSCGKSA-N 0 1 373.865 4.348 20 30 FIEDMN N#CC(C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nc(C2CC2)cs1 ZINC000647378840 1083369489 /nfs/dbraw/zinc/36/94/89/1083369489.db2.gz DPEJVHRBMNTSPH-ZDUSSCGKSA-N 0 1 373.865 4.348 20 30 FIEDMN CCCOc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)c(OC)c1 ZINC000647380036 1083377421 /nfs/dbraw/zinc/37/74/21/1083377421.db2.gz DYKRJUSJNQDIQH-OAHLLOKOSA-N 0 1 356.447 4.308 20 30 FIEDMN O=C1OCCN1Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000255730470 1083453199 /nfs/dbraw/zinc/45/31/99/1083453199.db2.gz NLBDPEQECRRPIY-UHFFFAOYSA-N 0 1 365.216 4.402 20 30 FIEDMN CC(C)(C)Oc1ccc(CNCc2cccc(OCCCC#N)c2)cn1 ZINC000180884029 1083514655 /nfs/dbraw/zinc/51/46/55/1083514655.db2.gz MHMCVAPJZRXFOG-UHFFFAOYSA-N 0 1 353.466 4.231 20 30 FIEDMN N#CC1(F)CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000510954443 1083533534 /nfs/dbraw/zinc/53/35/34/1083533534.db2.gz TZLOOCITYAGFSI-UHFFFAOYSA-N 0 1 367.424 4.135 20 30 FIEDMN Cc1sc(NC(=O)CN[C@H](C)c2ccc(OC(C)C)cc2)c(C#N)c1C ZINC000179531079 1083554215 /nfs/dbraw/zinc/55/42/15/1083554215.db2.gz HPQALIJHCOKORY-CQSZACIVSA-N 0 1 371.506 4.313 20 30 FIEDMN CC(C)(C)c1nn(-c2ccccc2)cc1CNCc1ccc(OCC#N)cc1 ZINC000177116658 1083589236 /nfs/dbraw/zinc/58/92/36/1083589236.db2.gz GMIDHMGZYITSIW-UHFFFAOYSA-N 0 1 374.488 4.362 20 30 FIEDMN Cc1cc(C(C#N)C(=O)CCCc2ccc(Br)cc2)nc(C)n1 ZINC000892474997 1083592366 /nfs/dbraw/zinc/59/23/66/1083592366.db2.gz HWCRYQHMNSSRCZ-INIZCTEOSA-N 0 1 372.266 4.055 20 30 FIEDMN Cc1cc([C@H](C#N)C(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)nc(C)n1 ZINC000892475863 1083594525 /nfs/dbraw/zinc/59/45/25/1083594525.db2.gz OOCVQWYAKZKTHC-NUTKFTJISA-N 0 1 368.506 4.263 20 30 FIEDMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000179734600 1083610637 /nfs/dbraw/zinc/61/06/37/1083610637.db2.gz GRJGYVCIZNSBCK-MAUKXSAKSA-N 0 1 351.450 4.025 20 30 FIEDMN CCOc1ccccc1[C@H](CC)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000179742221 1083610915 /nfs/dbraw/zinc/61/09/15/1083610915.db2.gz SBHMIPNPGPYUDJ-KRWDZBQOSA-N 0 1 371.868 4.290 20 30 FIEDMN N#Cc1nc(N2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)ccc1Cl ZINC000540865164 1083651438 /nfs/dbraw/zinc/65/14/38/1083651438.db2.gz IVOLFXHYKFQLRU-CQSZACIVSA-N 0 1 370.888 4.156 20 30 FIEDMN N#Cc1nc(N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)ccc1Cl ZINC000540865164 1083651458 /nfs/dbraw/zinc/65/14/58/1083651458.db2.gz IVOLFXHYKFQLRU-CQSZACIVSA-N 0 1 370.888 4.156 20 30 FIEDMN CC(C)(C#N)c1ccc(CN[C@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000601136988 1083883439 /nfs/dbraw/zinc/88/34/39/1083883439.db2.gz PAUHKVHYBJBTRM-GOSISDBHSA-N 0 1 362.395 4.330 20 30 FIEDMN N#Cc1cc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)ccn1 ZINC000610993350 1083941458 /nfs/dbraw/zinc/94/14/58/1083941458.db2.gz LMVQMMLTCOPUOA-UHFFFAOYSA-N 0 1 352.825 4.127 20 30 FIEDMN N#CCCCOc1cccc(CNCc2sccc2Br)c1 ZINC000236592841 1083950012 /nfs/dbraw/zinc/95/00/12/1083950012.db2.gz WDAHENQKZOMCBV-UHFFFAOYSA-N 0 1 365.296 4.483 20 30 FIEDMN CCOCc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1OC ZINC000180028533 1084079692 /nfs/dbraw/zinc/07/96/92/1084079692.db2.gz MIILYHVCKDUTCR-UHFFFAOYSA-N 0 1 350.462 4.268 20 30 FIEDMN CC(=O)Nc1cccc(C(C)=NNc2ccc(Br)cc2F)c1 ZINC000728433132 1084081545 /nfs/dbraw/zinc/08/15/45/1084081545.db2.gz SXBADYLVZOEGRV-UHFFFAOYSA-N 0 1 364.218 4.383 20 30 FIEDMN C[C@@H](NCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccc(C#N)cc1 ZINC000580661154 1084447973 /nfs/dbraw/zinc/44/79/73/1084447973.db2.gz GOWAASGWCCGLCH-CVEARBPZSA-N 0 1 361.445 4.175 20 30 FIEDMN CN(C)[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000431804374 1084626337 /nfs/dbraw/zinc/62/63/37/1084626337.db2.gz JALGBOXDXAYROY-RTBURBONSA-N 0 1 370.522 4.085 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2CCSCC2)cc1 ZINC000134976971 1084689624 /nfs/dbraw/zinc/68/96/24/1084689624.db2.gz SINAVVNZWCFJQP-KSSFIOAISA-N 0 1 358.507 4.381 20 30 FIEDMN Cc1sc(NC(=O)CNC(C)(C)c2ccc(Cl)cc2)c(C#N)c1C ZINC000551723143 1084705615 /nfs/dbraw/zinc/70/56/15/1084705615.db2.gz FPWQMKVTGQXNEC-UHFFFAOYSA-N 0 1 361.898 4.353 20 30 FIEDMN N#CC(C(=O)c1ccc(F)c(Br)c1)c1nc2ccccc2o1 ZINC000174013754 1084720264 /nfs/dbraw/zinc/72/02/64/1084720264.db2.gz NRGZVUINVPGDQW-JTQLQIEISA-N 0 1 359.154 4.219 20 30 FIEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)CN(C)CCc1ccccc1 ZINC000613450057 1084746581 /nfs/dbraw/zinc/74/65/81/1084746581.db2.gz ZCVCAKDNSQBVIT-UHFFFAOYSA-N 0 1 362.926 4.091 20 30 FIEDMN N#CC(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2s1 ZINC000119969623 1084749513 /nfs/dbraw/zinc/74/95/13/1084749513.db2.gz KEEFXGIBRSASTN-GFCCVEGCSA-N 0 1 357.778 4.348 20 30 FIEDMN N#C[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2s1 ZINC000119969623 1084749518 /nfs/dbraw/zinc/74/95/18/1084749518.db2.gz KEEFXGIBRSASTN-GFCCVEGCSA-N 0 1 357.778 4.348 20 30 FIEDMN CC(C)c1ccc2occ(C(=O)N=c3[nH]n(C(C)(C)C)cc3C#N)c2c1 ZINC000582264775 1084807636 /nfs/dbraw/zinc/80/76/36/1084807636.db2.gz ZABRUUFYLYVVOU-UHFFFAOYSA-N 0 1 350.422 4.054 20 30 FIEDMN Cc1c(F)cccc1S(=O)(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000174717414 1084818843 /nfs/dbraw/zinc/81/88/43/1084818843.db2.gz CHUUYWQAGZHKBY-LBPRGKRZSA-N 0 1 364.467 4.329 20 30 FIEDMN Cc1nc2cccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)c2[nH]1 ZINC000549037420 1084856870 /nfs/dbraw/zinc/85/68/70/1084856870.db2.gz QYXVFTNMLLWLMG-CQSZACIVSA-N 0 1 359.216 4.173 20 30 FIEDMN C#Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000024346824 1084899477 /nfs/dbraw/zinc/89/94/77/1084899477.db2.gz XMGZGALHYRCBSC-UHFFFAOYSA-N 0 1 359.756 4.141 20 30 FIEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175716147 1084988401 /nfs/dbraw/zinc/98/84/01/1084988401.db2.gz GGYQVGAUTCHSNH-UHFFFAOYSA-N 0 1 363.461 4.027 20 30 FIEDMN Cc1nnc(-c2cccc(C(=O)C(C#N)c3nccc4ccccc43)c2)o1 ZINC000582521837 1085092199 /nfs/dbraw/zinc/09/21/99/1085092199.db2.gz UCGLXDPTYIPNCR-SFHVURJKSA-N 0 1 354.369 4.083 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)CCCc2ncc(-c3ccccc3)o2)n1 ZINC000048789265 1085223749 /nfs/dbraw/zinc/22/37/49/1085223749.db2.gz BDUVBBZNHLCFIO-OAHLLOKOSA-N 0 1 351.431 4.306 20 30 FIEDMN CCCCc1nc2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2[nH]1 ZINC000128021846 1085284968 /nfs/dbraw/zinc/28/49/68/1085284968.db2.gz RTESPTVNXLNYEZ-UHFFFAOYSA-N 0 1 354.360 4.308 20 30 FIEDMN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000661116171 1085400271 /nfs/dbraw/zinc/40/02/71/1085400271.db2.gz WHYYMYYGLWDLRN-WBVHZDCISA-N 0 1 370.522 4.323 20 30 FIEDMN C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1nc(C(C)(C)C)no1 ZINC000582700783 1085414109 /nfs/dbraw/zinc/41/41/09/1085414109.db2.gz CTMKFQDNEJROJU-NNDYNSRJSA-N 0 1 352.482 4.422 20 30 FIEDMN N#CC(C(=O)C=Cc1ccc(Cl)nc1)c1nc(-c2ccncc2)cs1 ZINC000255539817 1085622866 /nfs/dbraw/zinc/62/28/66/1085622866.db2.gz HXHCACMRUGFKFO-VXYRWZGASA-N 0 1 366.833 4.143 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000178656055 1085696486 /nfs/dbraw/zinc/69/64/86/1085696486.db2.gz RQPTWQASOQZMHU-KDOFPFPSSA-N 0 1 369.421 4.135 20 30 FIEDMN C=CCc1cc(CNCc2cccc(OC3CC3)c2F)cc(OC)c1O ZINC000657620645 1085701651 /nfs/dbraw/zinc/70/16/51/1085701651.db2.gz IYOWGNYSGFMHSL-UHFFFAOYSA-N 0 1 357.425 4.099 20 30 FIEDMN Cc1cc(NCc2ccccc2C#N)nc2c1CN(Cc1ccccc1)CC2 ZINC001167632364 1085853141 /nfs/dbraw/zinc/85/31/41/1085853141.db2.gz YZLZJVDFEHBIMX-UHFFFAOYSA-N 0 1 368.484 4.432 20 30 FIEDMN Cc1nc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)s1 ZINC000178707165 1085921827 /nfs/dbraw/zinc/92/18/27/1085921827.db2.gz HGJKEQKYAROJOJ-JTQLQIEISA-N 0 1 368.245 4.028 20 30 FIEDMN Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000511230800 1086127726 /nfs/dbraw/zinc/12/77/26/1086127726.db2.gz CSKPZJTUOLIFMT-UHFFFAOYSA-N 0 1 364.854 4.108 20 30 FIEDMN C=CCCCCCN(C)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000150882103 1086541199 /nfs/dbraw/zinc/54/11/99/1086541199.db2.gz KLUCCGYJZFXWMK-LJQANCHMSA-N 0 1 368.525 4.494 20 30 FIEDMN Cc1ccc(SCCN2CCC(C#N)(c3ccccn3)CC2)cc1C ZINC000548798363 1086756956 /nfs/dbraw/zinc/75/69/56/1086756956.db2.gz KVOMGMOZOOITNP-UHFFFAOYSA-N 0 1 351.519 4.348 20 30 FIEDMN CC(C)n1ncc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000161899051 1086978412 /nfs/dbraw/zinc/97/84/12/1086978412.db2.gz LUXWMARYXHMFTR-ZDUSSCGKSA-N 0 1 362.355 4.245 20 30 FIEDMN CC(C)n1ncc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000161899051 1086978415 /nfs/dbraw/zinc/97/84/15/1086978415.db2.gz LUXWMARYXHMFTR-ZDUSSCGKSA-N 0 1 362.355 4.245 20 30 FIEDMN C[C@H](NCc1sccc1Br)c1ccc(OCC#N)cc1 ZINC000148031612 1087069717 /nfs/dbraw/zinc/06/97/17/1087069717.db2.gz BAWCGMDONRJCOA-NSHDSACASA-N 0 1 351.269 4.264 20 30 FIEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000584039487 1087130902 /nfs/dbraw/zinc/13/09/02/1087130902.db2.gz YBURRYPLNQQXKX-ZTFGCOKTSA-N 0 1 373.884 4.251 20 30 FIEDMN COc1cc(NC(=O)CN2CCC[C@H](C3CC3)C2)c(OC)cc1Cl ZINC000329655303 1087151372 /nfs/dbraw/zinc/15/13/72/1087151372.db2.gz MDUUPWRXVZFUEA-ZDUSSCGKSA-N 0 1 352.862 4.067 20 30 FIEDMN COc1ccc(C[C@H](NC[C@H](C#N)CCC#N)c2ccccc2)cc1OC ZINC000584167670 1087198391 /nfs/dbraw/zinc/19/83/91/1087198391.db2.gz CJQAZTNQHZBXRF-ICSRJNTNSA-N 0 1 363.461 4.021 20 30 FIEDMN Cc1ccncc1[C@@H](C)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000611939358 1087596524 /nfs/dbraw/zinc/59/65/24/1087596524.db2.gz JMXGKDJMVCUADS-JKSUJKDBSA-N 0 1 368.506 4.074 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C(C)(C)c1ccc(F)cc1F ZINC000892420640 1087693235 /nfs/dbraw/zinc/69/32/35/1087693235.db2.gz VHMRPKJTCISGFA-ZDUSSCGKSA-N 0 1 353.372 4.006 20 30 FIEDMN COc1ccc([C@H](C)NCc2cc(C#N)ccc2F)cc1Br ZINC000120155149 1088480998 /nfs/dbraw/zinc/48/09/98/1088480998.db2.gz POKJKXULCCMRNE-NSHDSACASA-N 0 1 363.230 4.319 20 30 FIEDMN COc1ccc(CN2CCC[C@@H]2c2cccnc2)cc1OCCCC#N ZINC000589192559 1088562994 /nfs/dbraw/zinc/56/29/94/1088562994.db2.gz JUHWSCYQJVPXMW-LJQANCHMSA-N 0 1 351.450 4.110 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1O ZINC000190013304 1088750047 /nfs/dbraw/zinc/75/00/47/1088750047.db2.gz IFDBDTVJFNFLSL-UHFFFAOYSA-N 0 1 372.384 4.160 20 30 FIEDMN CC(C)[C@@H]1N(Cc2ccc(C#N)cc2C(F)(F)F)CC12CCOCC2 ZINC000414523094 1088809105 /nfs/dbraw/zinc/80/91/05/1088809105.db2.gz COQPLASDHLRGIM-KRWDZBQOSA-N 0 1 352.400 4.214 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccnn3CC(F)F)n2)cc1 ZINC000434616187 1088864648 /nfs/dbraw/zinc/86/46/48/1088864648.db2.gz OXGCMTPRDYXMPU-ZDUSSCGKSA-N 0 1 372.400 4.070 20 30 FIEDMN COc1cc2c(cc1CNCc1ccc(-c3ccccc3C#N)cc1)OCO2 ZINC000545351387 1088986511 /nfs/dbraw/zinc/98/65/11/1088986511.db2.gz BSKGGYARWDBZIJ-UHFFFAOYSA-N 0 1 372.424 4.252 20 30 FIEDMN COCCn1nc(C)c(C(=O)/C=C/c2cc(Cl)c(O)cc2Cl)c1C ZINC000122316227 1088989545 /nfs/dbraw/zinc/98/95/45/1088989545.db2.gz IZPPFHLDVCBFPO-SNAWJCMRSA-N 0 1 369.248 4.055 20 30 FIEDMN N#C[C@@H](C(=O)c1cc(C2CCCCC2)[nH]n1)c1ccc(C(F)(F)F)cn1 ZINC000136158741 1089087253 /nfs/dbraw/zinc/08/72/53/1089087253.db2.gz JKGMNCOLJOUSBE-CYBMUJFWSA-N 0 1 362.355 4.361 20 30 FIEDMN N#CC(C(=O)c1cc(C2CCCCC2)[nH]n1)c1ccc(C(F)(F)F)cn1 ZINC000136158741 1089087268 /nfs/dbraw/zinc/08/72/68/1089087268.db2.gz JKGMNCOLJOUSBE-CYBMUJFWSA-N 0 1 362.355 4.361 20 30 FIEDMN C=CCOc1ccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000435050769 1089239635 /nfs/dbraw/zinc/23/96/35/1089239635.db2.gz NFWCDGITBAUAPF-UHFFFAOYSA-N 0 1 353.437 4.485 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCC[C@H](C)C2)cc1Cl ZINC000122422918 1089391746 /nfs/dbraw/zinc/39/17/46/1089391746.db2.gz MHQLPRNRRFQLLD-GZBFAFLISA-N 0 1 362.857 4.212 20 30 FIEDMN COc1ccc(Oc2ccc(C=C(C)c3nc(C)c(C#N)c(=O)[nH]3)cc2)cc1 ZINC000435339516 1089546346 /nfs/dbraw/zinc/54/63/46/1089546346.db2.gz UVNICXZFOULBDR-WYMLVPIESA-N 0 1 373.412 4.311 20 30 FIEDMN CCOc1c(OC)cc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000425364936 1089591160 /nfs/dbraw/zinc/59/11/60/1089591160.db2.gz HXROWAQSMDWSPP-HNNXBMFYSA-N 0 1 354.450 4.167 20 30 FIEDMN N#Cc1ccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)c(C(F)(F)F)c1 ZINC000425376959 1089644889 /nfs/dbraw/zinc/64/48/89/1089644889.db2.gz YYHNYFGHOJEFRR-GOSISDBHSA-N 0 1 364.411 4.358 20 30 FIEDMN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCc2ccccc21 ZINC000514976797 1089681179 /nfs/dbraw/zinc/68/11/79/1089681179.db2.gz DVUDEMUBOHSNAR-FQEVSTJZSA-N 0 1 367.880 4.206 20 30 FIEDMN N#Cc1csc(C[NH2+][C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000417566494 1090929782 /nfs/dbraw/zinc/92/97/82/1090929782.db2.gz IKBJIHBKRJHVEU-CYBMUJFWSA-N 0 1 370.261 4.017 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000418145185 1091079049 /nfs/dbraw/zinc/07/90/49/1091079049.db2.gz MFVJFZFZFIKMFS-KRWDZBQOSA-N 0 1 373.359 4.235 20 30 FIEDMN C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCC1(C#N)CCC1 ZINC000418143050 1091080610 /nfs/dbraw/zinc/08/06/10/1091080610.db2.gz OKLSWTWZWOEINN-NSHDSACASA-N 0 1 373.806 4.359 20 30 FIEDMN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000500314045 1091265313 /nfs/dbraw/zinc/26/53/13/1091265313.db2.gz YBBMOHAYTOMWOP-UHFFFAOYSA-N 0 1 358.445 4.247 20 30 FIEDMN N#CC(C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CC12CCC2 ZINC000759835666 1091279647 /nfs/dbraw/zinc/27/96/47/1091279647.db2.gz SPYQXIIILGQNHF-IRXDYDNUSA-N 0 1 360.413 4.316 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000321844828 1091348841 /nfs/dbraw/zinc/34/88/41/1091348841.db2.gz IPKZRGGVPMHHTK-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN Cc1cc(CN[C@@H]2CCOc3c(Br)cccc32)ccc1C#N ZINC000500401969 1091438727 /nfs/dbraw/zinc/43/87/27/1091438727.db2.gz YGSIFCSGVGJJIP-QGZVFWFLSA-N 0 1 357.251 4.243 20 30 FIEDMN C[C@H]1c2ccsc2CCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279323097 1091866845 /nfs/dbraw/zinc/86/68/45/1091866845.db2.gz BXJGUIMNTKSTQZ-HNNXBMFYSA-N 0 1 363.490 4.040 20 30 FIEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(Br)cc1 ZINC000512229061 1091933871 /nfs/dbraw/zinc/93/38/71/1091933871.db2.gz QJGFGAABBNCGKS-UHFFFAOYSA-N 0 1 350.256 4.113 20 30 FIEDMN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cccc(F)c1C#N ZINC000428213351 1092264703 /nfs/dbraw/zinc/26/47/03/1092264703.db2.gz RSHGYVUASUPYNO-UHFFFAOYSA-N 0 1 366.415 4.291 20 30 FIEDMN C=CCN(Cc1ccccc1)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000521067360 1092454092 /nfs/dbraw/zinc/45/40/92/1092454092.db2.gz IPTBCSHEFCJNDN-UHFFFAOYSA-N 0 1 370.250 4.154 20 30 FIEDMN C=C(C)CN(CCC(=O)Nc1ccccc1F)Cc1cnn(C(C)C)c1 ZINC000512522708 1092632313 /nfs/dbraw/zinc/63/23/13/1092632313.db2.gz YDCJRUWWUGCYBM-UHFFFAOYSA-N 0 1 358.461 4.010 20 30 FIEDMN COCCCOc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 ZINC000442621608 1092702629 /nfs/dbraw/zinc/70/26/29/1092702629.db2.gz ZCNGLCGLBDYGLM-MRXNPFEDSA-N 0 1 366.442 4.202 20 30 FIEDMN COCCCOc1cccc(C(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000442621608 1092702640 /nfs/dbraw/zinc/70/26/40/1092702640.db2.gz ZCNGLCGLBDYGLM-MRXNPFEDSA-N 0 1 366.442 4.202 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(F)c(Br)c3)[nH]c21 ZINC000442735481 1092742437 /nfs/dbraw/zinc/74/24/37/1092742437.db2.gz GRNSHQGKDMXXBW-NSHDSACASA-N 0 1 372.197 4.263 20 30 FIEDMN C=CCOc1ccc(CNCc2ccc(Br)cc2F)cc1 ZINC000512552695 1092912174 /nfs/dbraw/zinc/91/21/74/1092912174.db2.gz SNHRWKQBBNDFGJ-UHFFFAOYSA-N 0 1 350.231 4.443 20 30 FIEDMN CCC[C@H](NC(=O)CN(Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000521821791 1092938802 /nfs/dbraw/zinc/93/88/02/1092938802.db2.gz WVAUVLJWUNNFFR-QFIPXVFZSA-N 0 1 363.505 4.426 20 30 FIEDMN Cn1cc(CN2CC[C@](F)(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000573744434 1092968143 /nfs/dbraw/zinc/96/81/43/1092968143.db2.gz FVQIDJZGPZJLNR-JOCHJYFZSA-N 0 1 360.436 4.029 20 30 FIEDMN CC(C)(C#N)c1ccc(CN[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000614182563 1093082458 /nfs/dbraw/zinc/08/24/58/1093082458.db2.gz UUJSIRQMPUPDAB-SFHVURJKSA-N 0 1 373.294 4.073 20 30 FIEDMN Cc1c(Cl)cccc1NC(=O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512662385 1093100425 /nfs/dbraw/zinc/10/04/25/1093100425.db2.gz WVRGHIGGWAUHOM-ZDUSSCGKSA-N 0 1 359.832 4.339 20 30 FIEDMN C=CCc1cc(CN(C)Cc2ccc(SC)c(OC)c2)cc(OC)c1O ZINC000512697028 1093151063 /nfs/dbraw/zinc/15/10/63/1093151063.db2.gz KYZDACWEKFUMRB-UHFFFAOYSA-N 0 1 373.518 4.492 20 30 FIEDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1ccc(C#Cc2ccccc2)cc1 ZINC000522259996 1093249672 /nfs/dbraw/zinc/24/96/72/1093249672.db2.gz FOQOLSGFKKENEB-UHFFFAOYSA-N 0 1 364.408 4.124 20 30 FIEDMN CCOc1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)ccc1C ZINC000114619065 1093659870 /nfs/dbraw/zinc/65/98/70/1093659870.db2.gz UEQMHDSGEKPKAG-MRXNPFEDSA-N 0 1 363.442 4.402 20 30 FIEDMN N#CC(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2n1 ZINC000047376067 1093732517 /nfs/dbraw/zinc/73/25/17/1093732517.db2.gz HIBCFDYHVBWKQR-CQSZACIVSA-N 0 1 351.749 4.286 20 30 FIEDMN CCCCO[C@@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000729090956 1093929243 /nfs/dbraw/zinc/92/92/43/1093929243.db2.gz VZGUJEJHXYCPEM-RYUDHWBXSA-N 0 1 364.417 4.470 20 30 FIEDMN Cc1ccc2c(Cl)c(C(=O)C(C#N)C(=O)Nc3ccccn3)sc2c1 ZINC000729186429 1093941523 /nfs/dbraw/zinc/94/15/23/1093941523.db2.gz VDANXVCAMCHGDV-LBPRGKRZSA-N 0 1 369.833 4.219 20 30 FIEDMN N#CC(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2ccccc2[nH]1 ZINC000041496707 1094620041 /nfs/dbraw/zinc/62/00/41/1094620041.db2.gz MSSUXFGXAVUHKJ-LBPRGKRZSA-N 0 1 362.370 4.176 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)n1 ZINC000041515293 1094638486 /nfs/dbraw/zinc/63/84/86/1094638486.db2.gz VFTVUHOFNIMFRV-QGZVFWFLSA-N 0 1 367.474 4.460 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2ccccc2NC(=O)c2ccccc2)n1 ZINC000041516563 1094641913 /nfs/dbraw/zinc/64/19/13/1094641913.db2.gz QIVGMONPFWRBBK-INIZCTEOSA-N 0 1 361.426 4.194 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2NC(=O)c2ccccc2)n1 ZINC000041516563 1094641921 /nfs/dbraw/zinc/64/19/21/1094641921.db2.gz QIVGMONPFWRBBK-INIZCTEOSA-N 0 1 361.426 4.194 20 30 FIEDMN CCOc1c(Cl)cc(C(=O)C(C#N)c2nc3ccccc3o2)cc1OC ZINC000041547956 1094649524 /nfs/dbraw/zinc/64/95/24/1094649524.db2.gz JQCNJIDMYVGQFR-LBPRGKRZSA-N 0 1 370.792 4.379 20 30 FIEDMN N#Cc1cc(CN[C@@H]2CCOc3c(Br)cccc32)ccc1F ZINC000501507568 1094745951 /nfs/dbraw/zinc/74/59/51/1094745951.db2.gz VEDYTAZGJAAVER-MRXNPFEDSA-N 0 1 361.214 4.073 20 30 FIEDMN C[C@@H]1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC12CCC2 ZINC000329158688 1094758437 /nfs/dbraw/zinc/75/84/37/1094758437.db2.gz XBPWUSSSEFYJKF-CYBMUJFWSA-N 0 1 374.485 4.326 20 30 FIEDMN CCN(CC)C(=O)c1cccc(NC(=O)CN2CC[C@H](C)C3(CCC3)C2)c1 ZINC000329152759 1094758815 /nfs/dbraw/zinc/75/88/15/1094758815.db2.gz TWPBEPMEPJOLNC-KRWDZBQOSA-N 0 1 371.525 4.269 20 30 FIEDMN CSc1ccccc1[C@@H](C)N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000501534842 1094762095 /nfs/dbraw/zinc/76/20/95/1094762095.db2.gz MPWMCWRTJMIERT-CXIVCQEWSA-N 0 1 373.566 4.378 20 30 FIEDMN CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CCc4[nH]nnc4C3)cc2s1 ZINC000329180787 1094770033 /nfs/dbraw/zinc/77/00/33/1094770033.db2.gz NZFGPHFMZHLCGP-SNVBAGLBSA-N 0 1 355.467 4.105 20 30 FIEDMN CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CCc4nn[nH]c4C3)cc2s1 ZINC000329180787 1094770041 /nfs/dbraw/zinc/77/00/41/1094770041.db2.gz NZFGPHFMZHLCGP-SNVBAGLBSA-N 0 1 355.467 4.105 20 30 FIEDMN O=C(C[C@@H]1CCCC[C@H]1O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000329217732 1094783457 /nfs/dbraw/zinc/78/34/57/1094783457.db2.gz QQPKBODUGYWBMU-YTQUADARSA-N 0 1 364.917 4.375 20 30 FIEDMN O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)NC1CCCCCC1 ZINC000329244491 1094795358 /nfs/dbraw/zinc/79/53/58/1094795358.db2.gz UNRWQWSBDMYKIV-UHFFFAOYSA-N 0 1 354.498 4.422 20 30 FIEDMN C[C@H](C(=O)NCC1CCCCC1)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000329342901 1094852410 /nfs/dbraw/zinc/85/24/10/1094852410.db2.gz PTQJIXYVQOMWBJ-APWZRJJASA-N 0 1 354.498 4.208 20 30 FIEDMN Cc1nc([C@@H]2CCCN(C(=O)Nc3cc(C4CC4)ccn3)C2)sc1C ZINC000329442679 1094909916 /nfs/dbraw/zinc/90/99/16/1094909916.db2.gz ARBGIFBMZDCVQQ-MRXNPFEDSA-N 0 1 356.495 4.457 20 30 FIEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000329628623 1095020018 /nfs/dbraw/zinc/02/00/18/1095020018.db2.gz UTLZFUUOVKEGKD-IIBYNOLFSA-N 0 1 360.461 4.171 20 30 FIEDMN Cc1cnn([C@@H]2CCN(C(=O)NC3CCC(c4ccc(F)cc4)CC3)C2)c1 ZINC000329666476 1095081553 /nfs/dbraw/zinc/08/15/53/1095081553.db2.gz QGVRTHSVEPJNJG-LYBXBRPPSA-N 0 1 370.472 4.218 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3CC(=O)NC3(C#N)CCCCC3)[nH]c2c1 ZINC000329682731 1095121315 /nfs/dbraw/zinc/12/13/15/1095121315.db2.gz SPQQZACAKYYFSU-GOSISDBHSA-N 0 1 365.481 4.191 20 30 FIEDMN Cc1nc(C)n(C[C@@H]2CCCN(C([O-])=[NH+][C@H]3CCCCC34CCCC4)C2)n1 ZINC000329831461 1095284852 /nfs/dbraw/zinc/28/48/52/1095284852.db2.gz STQHOSVLFINBIM-MOPGFXCFSA-N 0 1 373.545 4.024 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+]CC2CCCCC2)CC1 ZINC000329980409 1095335886 /nfs/dbraw/zinc/33/58/86/1095335886.db2.gz LHJPHHLHWHUSED-UHFFFAOYSA-N 0 1 354.498 4.476 20 30 FIEDMN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330073912 1095371201 /nfs/dbraw/zinc/37/12/01/1095371201.db2.gz KUYHTSVOHKEFQJ-BMIGLBTASA-N 0 1 367.280 4.229 20 30 FIEDMN COc1ccc([C@@H]2CCCCCN2C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000330113391 1095385057 /nfs/dbraw/zinc/38/50/57/1095385057.db2.gz CVRSKWWQPIZGJP-OALUTQOASA-N 0 1 368.481 4.327 20 30 FIEDMN O=C(NCc1ccc(OC2CCCCC2)cc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330142911 1095392125 /nfs/dbraw/zinc/39/21/25/1095392125.db2.gz QVEBKAYXVICMPO-LJQANCHMSA-N 0 1 368.481 4.202 20 30 FIEDMN CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCCc4cn[nH]c43)c21 ZINC000330138787 1095392868 /nfs/dbraw/zinc/39/28/68/1095392868.db2.gz VUINUQDSHIXXDK-CQSZACIVSA-N 0 1 365.437 4.329 20 30 FIEDMN Cc1cn2c(n1)[C@H](CNC([O-])=[NH+][C@@H]1CCc3ccc(C(C)C)cc31)CCC2 ZINC000330199891 1095413657 /nfs/dbraw/zinc/41/36/57/1095413657.db2.gz WALGRZYMKSYHIJ-AZUAARDMSA-N 0 1 366.509 4.383 20 30 FIEDMN COc1ccc(OC)c([C@H](C)NCc2cccc(OCCCC#N)c2)c1 ZINC000237274895 1095592003 /nfs/dbraw/zinc/59/20/03/1095592003.db2.gz ZUYLQNHSCRHAKO-INIZCTEOSA-N 0 1 354.450 4.237 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cnc4onc(C(C)(C)C)c4c3)[nH]c21 ZINC000522829555 1095757181 /nfs/dbraw/zinc/75/71/81/1095757181.db2.gz KFXVROBYVQZKDV-AWEZNQCLSA-N 0 1 373.416 4.195 20 30 FIEDMN CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1cccc(Br)c1 ZINC000444235570 1095886768 /nfs/dbraw/zinc/88/67/68/1095886768.db2.gz XUKLOLBUWMFPNV-UHFFFAOYSA-N 0 1 366.303 4.039 20 30 FIEDMN CC(C)CCN(CCC#N)CCC(=O)Nc1cccc(Br)c1 ZINC000444235570 1095886788 /nfs/dbraw/zinc/88/67/88/1095886788.db2.gz XUKLOLBUWMFPNV-UHFFFAOYSA-N 0 1 366.303 4.039 20 30 FIEDMN CSc1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1C ZINC000504061217 1096651218 /nfs/dbraw/zinc/65/12/18/1096651218.db2.gz STXJZLXFYISHGD-UHFFFAOYSA-N 0 1 352.868 4.043 20 30 FIEDMN Cc1cc(N2CCCCCC2)ccc1N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000504414611 1096771787 /nfs/dbraw/zinc/77/17/87/1096771787.db2.gz CTTZDXIBIVQPDU-GCJKJVERSA-N 0 1 370.541 4.230 20 30 FIEDMN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532967056 1098635217 /nfs/dbraw/zinc/63/52/17/1098635217.db2.gz JIDYVVYUGLTFCI-ZDUSSCGKSA-N 0 1 353.850 4.253 20 30 FIEDMN CCCN(CCS(=O)(=O)c1cccc(C#N)c1)[C@H](CC)c1ccccc1 ZINC000533147844 1098819515 /nfs/dbraw/zinc/81/95/15/1098819515.db2.gz ZOJRUZNSXGRXEG-OAQYLSRUSA-N 0 1 370.518 4.195 20 30 FIEDMN CC1(C)CCC[C@H](CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000533705706 1099346002 /nfs/dbraw/zinc/34/60/02/1099346002.db2.gz BHFVXZZCRFDQSL-OAQYLSRUSA-N 0 1 367.537 4.199 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000322164522 1099433408 /nfs/dbraw/zinc/43/34/08/1099433408.db2.gz MIJGYLHGHHTGQL-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN CCC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)c(Cl)c1 ZINC000516499418 1099545450 /nfs/dbraw/zinc/54/54/50/1099545450.db2.gz CBIURNNQDLBDEN-FUHWJXTLSA-N 0 1 370.324 4.479 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cn(C)nc3C(C)C)n2)cc1 ZINC000516710848 1099728314 /nfs/dbraw/zinc/72/83/14/1099728314.db2.gz XEAOFXPGTNKAPX-HNNXBMFYSA-N 0 1 364.474 4.466 20 30 FIEDMN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCCCC1 ZINC000126556515 1100124693 /nfs/dbraw/zinc/12/46/93/1100124693.db2.gz UQOZMHIWEYTBEF-AWEZNQCLSA-N 0 1 352.406 4.229 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)Nc3cccc(OCCCC#N)c3)[nH]n2)cc1 ZINC000517457824 1100380332 /nfs/dbraw/zinc/38/03/32/1100380332.db2.gz FALQKACJEZWOMT-UHFFFAOYSA-N 0 1 360.417 4.320 20 30 FIEDMN COc1ccc(OC)c([C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000536874508 1100396384 /nfs/dbraw/zinc/39/63/84/1100396384.db2.gz CJLQIVZGLBBCJE-AWEZNQCLSA-N 0 1 363.379 4.425 20 30 FIEDMN C=C(CC)CN[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000536881077 1100407682 /nfs/dbraw/zinc/40/76/82/1100407682.db2.gz HBBPEINADACFJS-IBGZPJMESA-N 0 1 365.445 4.014 20 30 FIEDMN COc1ccc(C#N)cc1CNC1(c2ccc(Br)cc2)CCC1 ZINC000438723606 1100885851 /nfs/dbraw/zinc/88/58/51/1100885851.db2.gz LUVAYZRUSIYVCE-UHFFFAOYSA-N 0 1 371.278 4.498 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2Oc2cccc(F)c2)cc1 ZINC000518093908 1100908069 /nfs/dbraw/zinc/90/80/69/1100908069.db2.gz XSAHBKANSHORIF-UHFFFAOYSA-N 0 1 368.389 4.290 20 30 FIEDMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1cc2cccc(F)c2o1 ZINC000475701820 1101351399 /nfs/dbraw/zinc/35/13/99/1101351399.db2.gz LQLSSHAIZMLGNM-NSHDSACASA-N 0 1 371.799 4.386 20 30 FIEDMN C[C@@H](N[C@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1cccc(C#N)c1 ZINC000475704634 1101371320 /nfs/dbraw/zinc/37/13/20/1101371320.db2.gz HWIQDGAKQZXKAX-CHWSQXEVSA-N 0 1 351.381 4.121 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccccc2)CC1 ZINC000537058019 1101410498 /nfs/dbraw/zinc/41/04/98/1101410498.db2.gz FMHGCXBEBYOBFM-INIZCTEOSA-N 0 1 365.502 4.156 20 30 FIEDMN COc1cccc(CN(Cc2cccc(C#N)c2F)C2CCC(O)CC2)c1 ZINC000537047510 1101422695 /nfs/dbraw/zinc/42/26/95/1101422695.db2.gz QPEYPLSBIHBREN-UHFFFAOYSA-N 0 1 368.452 4.012 20 30 FIEDMN CCN(CC)C(=O)CCC1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439455190 1101459662 /nfs/dbraw/zinc/45/96/62/1101459662.db2.gz UEUXMONUTDXETI-UHFFFAOYSA-N 0 1 361.917 4.072 20 30 FIEDMN C=CCOc1cccnc1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000537138143 1101491603 /nfs/dbraw/zinc/49/16/03/1101491603.db2.gz ZGWMJRDTXPSPEW-UHFFFAOYSA-N 0 1 360.373 4.035 20 30 FIEDMN C[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1C(F)(F)F ZINC000537159103 1101504085 /nfs/dbraw/zinc/50/40/85/1101504085.db2.gz CTCLTJAEEJAVTC-CQSZACIVSA-N 0 1 367.415 4.041 20 30 FIEDMN C=CCN(Cc1ccccc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518752940 1101507980 /nfs/dbraw/zinc/50/79/80/1101507980.db2.gz DVZJANMTXFIOLW-OAHLLOKOSA-N 0 1 353.857 4.065 20 30 FIEDMN CCOc1ccc(Nc2ncccc2C(=O)[C@@H](C#N)c2ccccn2)cc1 ZINC000537266346 1101593099 /nfs/dbraw/zinc/59/30/99/1101593099.db2.gz OPXUTVUVDUMHNK-SFHVURJKSA-N 0 1 358.401 4.109 20 30 FIEDMN C=CCCOCCCCC(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000537322133 1101654248 /nfs/dbraw/zinc/65/42/48/1101654248.db2.gz QDDDELOBCSYCCK-UHFFFAOYSA-N 0 1 364.449 4.326 20 30 FIEDMN C=CCOc1cccc(CN2CCC(C(=O)c3ccc(OC)cc3)CC2)c1 ZINC000506672319 1101742882 /nfs/dbraw/zinc/74/28/82/1101742882.db2.gz ATQMTBQHPQZPDN-UHFFFAOYSA-N 0 1 365.473 4.355 20 30 FIEDMN N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccncn1 ZINC000760342946 1101927107 /nfs/dbraw/zinc/92/71/07/1101927107.db2.gz AQBDIZXVRZFFBZ-ACRUOGEOSA-N 0 1 369.424 4.036 20 30 FIEDMN CN(CCC(=O)Nc1cccc(C#N)c1)Cc1cccc(Cl)c1Cl ZINC000026224866 1101944066 /nfs/dbraw/zinc/94/40/66/1101944066.db2.gz YTLODBJVOVGXOD-UHFFFAOYSA-N 0 1 362.260 4.326 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000519168282 1101983691 /nfs/dbraw/zinc/98/36/91/1101983691.db2.gz UDEKQYFHZXRXKK-CZUORRHYSA-N 0 1 350.915 4.056 20 30 FIEDMN Cc1c2cc(C#N)ccc2sc1-c1nc(-c2ccn3cncc3c2)no1 ZINC000426571436 1102026103 /nfs/dbraw/zinc/02/61/03/1102026103.db2.gz VCZKDDOBFMWPQA-UHFFFAOYSA-N 0 1 357.398 4.446 20 30 FIEDMN CCSc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000103500033 1102198556 /nfs/dbraw/zinc/19/85/56/1102198556.db2.gz VSBZCJMLEYUQOK-CABCVRRESA-N 0 1 353.491 4.348 20 30 FIEDMN N#Cc1ccsc1NC(=O)CN(CCc1ccccc1F)C1CCCC1 ZINC000532503130 1102431569 /nfs/dbraw/zinc/43/15/69/1102431569.db2.gz YBDMFHIECNRIJE-UHFFFAOYSA-N 0 1 371.481 4.185 20 30 FIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1csc(-c2cccs2)n1 ZINC000122199392 1102544108 /nfs/dbraw/zinc/54/41/08/1102544108.db2.gz ROQGYDVRQUIORA-NSHDSACASA-N 0 1 364.455 4.248 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1csc(-c2cccs2)n1 ZINC000122199392 1102544113 /nfs/dbraw/zinc/54/41/13/1102544113.db2.gz ROQGYDVRQUIORA-NSHDSACASA-N 0 1 364.455 4.248 20 30 FIEDMN CC(C)(CC#N)CNC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459261456 1102685026 /nfs/dbraw/zinc/68/50/26/1102685026.db2.gz RVDGYPPTPILXFZ-OAHLLOKOSA-N 0 1 359.861 4.003 20 30 FIEDMN COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000184353873 1102902903 /nfs/dbraw/zinc/90/29/03/1102902903.db2.gz KHBMHPIJRRDXEK-UHFFFAOYSA-N 0 1 374.400 4.212 20 30 FIEDMN C=C[C@@H](CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)c1ccccc1 ZINC000123251611 1102915467 /nfs/dbraw/zinc/91/54/67/1102915467.db2.gz SVAJIKMOWHBDRU-IBGZPJMESA-N 0 1 363.505 4.045 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(OCC)cc2)no1 ZINC001211975343 1103129796 /nfs/dbraw/zinc/12/97/96/1103129796.db2.gz DUDUFNAUGFSEKY-MJGOQNOKSA-N 0 1 373.497 4.213 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(F)cc2C)no1 ZINC001211975369 1103132022 /nfs/dbraw/zinc/13/20/22/1103132022.db2.gz FJVKYIKAOUGBRN-AEFFLSMTSA-N 0 1 361.461 4.262 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(CC)cc2)no1 ZINC001211975640 1103132181 /nfs/dbraw/zinc/13/21/81/1103132181.db2.gz MTMUVRXAZSFMKL-MOPGFXCFSA-N 0 1 357.498 4.377 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C)c(OC)c2)no1 ZINC001211975445 1103132842 /nfs/dbraw/zinc/13/28/42/1103132842.db2.gz HCIVEUKXIUWOAQ-ROUUACIJSA-N 0 1 373.497 4.132 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C)cc2OC)no1 ZINC001211975674 1103134890 /nfs/dbraw/zinc/13/48/90/1103134890.db2.gz NFHMERWHXHPBCB-WMZOPIPTSA-N 0 1 373.497 4.132 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2ccc(C)cc2C)no1 ZINC001211975918 1103138006 /nfs/dbraw/zinc/13/80/06/1103138006.db2.gz UILZFXXZCOXVNF-MJGOQNOKSA-N 0 1 357.498 4.432 20 30 FIEDMN Cc1sc(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)c(C#N)c1C ZINC000532755048 1103186822 /nfs/dbraw/zinc/18/68/22/1103186822.db2.gz SLPODVVITYZDMK-GOSISDBHSA-N 0 1 353.491 4.185 20 30 FIEDMN CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000507212174 1103217282 /nfs/dbraw/zinc/21/72/82/1103217282.db2.gz NHHFMCQMCZUELL-KKSFZXQISA-N 0 1 355.482 4.260 20 30 FIEDMN CC(C)c1nc([C@@H](C)NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n[nH]1 ZINC000477321859 1103354377 /nfs/dbraw/zinc/35/43/77/1103354377.db2.gz MCSZIOBZEGZBPF-CQSZACIVSA-N 0 1 374.448 4.034 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CC2)c(C#N)c1C ZINC000192784230 1103652773 /nfs/dbraw/zinc/65/27/73/1103652773.db2.gz NJSRRRAADJFLSF-SFHVURJKSA-N 0 1 357.841 4.101 20 30 FIEDMN CN(CC(=O)NC1(C#N)CCCCC1)C1c2ccccc2-c2ccccc21 ZINC000477739487 1103840913 /nfs/dbraw/zinc/84/09/13/1103840913.db2.gz CGBAUESYZGDEGX-UHFFFAOYSA-N 0 1 359.473 4.031 20 30 FIEDMN COc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1OC(F)F ZINC000537722066 1103895156 /nfs/dbraw/zinc/89/51/56/1103895156.db2.gz XFLOFIZCBKOBGO-UHFFFAOYSA-N 0 1 370.399 4.458 20 30 FIEDMN COc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1OC(F)F ZINC000537722066 1103895166 /nfs/dbraw/zinc/89/51/66/1103895166.db2.gz XFLOFIZCBKOBGO-UHFFFAOYSA-N 0 1 370.399 4.458 20 30 FIEDMN N#Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000440750034 1103928392 /nfs/dbraw/zinc/92/83/92/1103928392.db2.gz CXFSHEGRBJXEBV-QGZVFWFLSA-N 0 1 350.809 4.065 20 30 FIEDMN CC(C)Sc1ccc([C@@H](C)NCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000538202909 1104015592 /nfs/dbraw/zinc/01/55/92/1104015592.db2.gz XQEBZHUHBWSPDH-MRXNPFEDSA-N 0 1 367.518 4.026 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000538224511 1104045007 /nfs/dbraw/zinc/04/50/07/1104045007.db2.gz BEUDYLIXYFBBEH-JKSUJKDBSA-N 0 1 362.489 4.078 20 30 FIEDMN COc1ccccc1[C@@H](CC(C)C)NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000538280064 1104097798 /nfs/dbraw/zinc/09/77/98/1104097798.db2.gz OUJNFJCDVSNKPL-LJQANCHMSA-N 0 1 371.525 4.057 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@H](C)c3ccc(C#N)cc3)[nH]c2c1 ZINC000141291585 1104215968 /nfs/dbraw/zinc/21/59/68/1104215968.db2.gz DBJWVGKKQZADAM-FOIQADDNSA-N 0 1 373.460 4.351 20 30 FIEDMN COc1cc(CNCc2ccnc(Oc3ccccc3F)c2)ccc1C#N ZINC000441360922 1104297468 /nfs/dbraw/zinc/29/74/68/1104297468.db2.gz SMMNEIGYDCKHGF-UHFFFAOYSA-N 0 1 363.392 4.183 20 30 FIEDMN [O-]C(=[NH+][C@H]1C[C@H](c2ccccc2)C1)N1CCC(c2ccc(O)cc2)CC1 ZINC000328602423 1104532094 /nfs/dbraw/zinc/53/20/94/1104532094.db2.gz GWXPCVVJTXVBFI-MXVIHJGJSA-N 0 1 350.462 4.432 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])NCC1CC(c3ccccc3)C1)CC2 ZINC000328742861 1104546824 /nfs/dbraw/zinc/54/68/24/1104546824.db2.gz NCAIJFJNJVYHLM-RRWXTXHCSA-N 0 1 366.509 4.019 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC([O-])=[NH+]CC1CC(c3ccccc3)C1)CC2 ZINC000328742861 1104546831 /nfs/dbraw/zinc/54/68/31/1104546831.db2.gz NCAIJFJNJVYHLM-RRWXTXHCSA-N 0 1 366.509 4.019 20 30 FIEDMN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@@H](C2CCOCC2)C1 ZINC000328859296 1104579779 /nfs/dbraw/zinc/57/97/79/1104579779.db2.gz UYOPHZOCQDTFBL-DZGCQCFKSA-N 0 1 366.889 4.074 20 30 FIEDMN COc1ccc(C)cc1-c1csc(NC(=O)C23CCCN2CCC3)n1 ZINC000328876642 1104585198 /nfs/dbraw/zinc/58/51/98/1104585198.db2.gz ZWALMMICKQSORL-UHFFFAOYSA-N 0 1 357.479 4.344 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)C2)n[nH]1 ZINC000330395312 1104628561 /nfs/dbraw/zinc/62/85/61/1104628561.db2.gz MWKQQCPOBRCHRJ-OCCSQVGLSA-N 0 1 360.424 4.179 20 30 FIEDMN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000441435644 1104658953 /nfs/dbraw/zinc/65/89/53/1104658953.db2.gz FHIDUKJADUSJIG-QZTJIDSGSA-N 0 1 368.481 4.024 20 30 FIEDMN C=CCC[C@H](NC(=O)c1[nH]nc(C)c1C)c1ccc(C(F)(F)F)cc1 ZINC000441542188 1104978113 /nfs/dbraw/zinc/97/81/13/1104978113.db2.gz GHKCDXXDXSBBDL-HNNXBMFYSA-N 0 1 351.372 4.483 20 30 FIEDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507802865 1105142280 /nfs/dbraw/zinc/14/22/80/1105142280.db2.gz FESNEBVOXJNKDW-HNNXBMFYSA-N 0 1 351.406 4.071 20 30 FIEDMN N#Cc1ccc(CN[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000474010375 1105148264 /nfs/dbraw/zinc/14/82/64/1105148264.db2.gz YBCIXHBCUNTEDS-QGZVFWFLSA-N 0 1 374.271 4.150 20 30 FIEDMN C=CCN(Cc1ccccc1F)C(=O)c1cccc(Br)c1O ZINC000520716781 1105149618 /nfs/dbraw/zinc/14/96/18/1105149618.db2.gz BBYDIDTUERXGPA-UHFFFAOYSA-N 0 1 364.214 4.122 20 30 FIEDMN N#Cc1cccc(CN[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000474020971 1105277540 /nfs/dbraw/zinc/27/75/40/1105277540.db2.gz RYJSNCMLMOHNKF-QGZVFWFLSA-N 0 1 374.271 4.150 20 30 FIEDMN COc1cc(Br)ccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000427861028 1105300911 /nfs/dbraw/zinc/30/09/11/1105300911.db2.gz RITKVZVLPPFBKG-GOSISDBHSA-N 0 1 371.278 4.497 20 30 FIEDMN N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(O)c(Cl)c3)s2)cc1 ZINC000121448111 1107797188 /nfs/dbraw/zinc/79/71/88/1107797188.db2.gz BXNXRKAAIRYVPD-UHFFFAOYSA-N 0 1 369.833 4.217 20 30 FIEDMN CC(C)(C#N)CCCCN1CCN(CCOc2ccccc2Cl)CC1 ZINC000444597960 1108007631 /nfs/dbraw/zinc/00/76/31/1108007631.db2.gz NLEJXEMRDWZRSW-UHFFFAOYSA-N 0 1 363.933 4.056 20 30 FIEDMN C[C@@H](NCCOc1ccccc1C#N)c1nc2ccccc2n1C(F)F ZINC000444676214 1108079034 /nfs/dbraw/zinc/07/90/34/1108079034.db2.gz NKEWQCOUVIWBKN-CYBMUJFWSA-N 0 1 356.376 4.033 20 30 FIEDMN N#Cc1ccc(NC(=O)c2ccc(CN3CCSCC3)cc2)cc1Cl ZINC000508514743 1108359055 /nfs/dbraw/zinc/35/90/55/1108359055.db2.gz XSXVKXJGNKEPNF-UHFFFAOYSA-N 0 1 371.893 4.013 20 30 FIEDMN Cn1nc(-c2ccccc2)cc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000453779832 1108735479 /nfs/dbraw/zinc/73/54/79/1108735479.db2.gz NLTXIHRORNYFSQ-AWEZNQCLSA-N 0 1 364.474 4.331 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Br)cc3)[nH]c21 ZINC000524034181 1108765091 /nfs/dbraw/zinc/76/50/91/1108765091.db2.gz MXGITNIKJUFQFD-ZDUSSCGKSA-N 0 1 354.207 4.124 20 30 FIEDMN COc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1OC1CCCC1 ZINC000440807890 1108882053 /nfs/dbraw/zinc/88/20/53/1108882053.db2.gz PHQCQYQKCRKDLS-UHFFFAOYSA-N 0 1 366.461 4.187 20 30 FIEDMN Cc1cccc(S(=O)(=O)Nc2ccc(CCC(F)(F)F)cc2)c1C#N ZINC000440830226 1108939802 /nfs/dbraw/zinc/93/98/02/1108939802.db2.gz GHPVGLAJQQLDPI-UHFFFAOYSA-N 0 1 368.380 4.162 20 30 FIEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000021918177 1109012545 /nfs/dbraw/zinc/01/25/45/1109012545.db2.gz CHPHJMWZPKZGHM-QGZVFWFLSA-N 0 1 355.526 4.147 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000524908096 1109199152 /nfs/dbraw/zinc/19/91/52/1109199152.db2.gz MXULSXOIOZZBRR-HRAATJIYSA-N 0 1 368.502 4.124 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN2CCC3(C2)CCCCC3)c1C ZINC000525123916 1109271171 /nfs/dbraw/zinc/27/11/71/1109271171.db2.gz RJLXHOQQQGVMJM-UHFFFAOYSA-N 0 1 353.510 4.206 20 30 FIEDMN CCN(C(=O)c1cccc(Br)c1O)[C@@H](C)c1ccc(C#N)cc1 ZINC000525260240 1109322746 /nfs/dbraw/zinc/32/27/46/1109322746.db2.gz JASPSXZSHAXFPG-LBPRGKRZSA-N 0 1 373.250 4.250 20 30 FIEDMN CSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000525368385 1109356730 /nfs/dbraw/zinc/35/67/30/1109356730.db2.gz MLNNUCXMSZQMMZ-UHFFFAOYSA-N 0 1 352.868 4.043 20 30 FIEDMN CN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1cc(F)cc(F)c1 ZINC000446973246 1109408593 /nfs/dbraw/zinc/40/85/93/1109408593.db2.gz CCQSYJWZETVLBU-UHFFFAOYSA-N 0 1 366.415 4.374 20 30 FIEDMN C=CCN(Cc1ccc2oc(C(=O)OC)cc2c1)Cc1cccc(C#N)c1 ZINC000525632955 1109462686 /nfs/dbraw/zinc/46/26/86/1109462686.db2.gz XAXOUIXJMWPHAD-UHFFFAOYSA-N 0 1 360.413 4.279 20 30 FIEDMN Cc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(Cl)c1 ZINC000447300485 1109507697 /nfs/dbraw/zinc/50/76/97/1109507697.db2.gz XZUZZROHRMXSIG-UHFFFAOYSA-N 0 1 367.880 4.371 20 30 FIEDMN COc1ccccc1C(C)(C)NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC001168106697 1109966298 /nfs/dbraw/zinc/96/62/98/1109966298.db2.gz RAGCLIDWYIQHPL-UHFFFAOYSA-N 0 1 363.379 4.470 20 30 FIEDMN C=CCC[C@@H](NCc1c(C)nnn1CC)c1ccc(C(F)(F)F)cc1 ZINC000449186712 1109994820 /nfs/dbraw/zinc/99/48/20/1109994820.db2.gz JTMNTSXMFLGVEV-MRXNPFEDSA-N 0 1 352.404 4.422 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3[C@@H]4c5cccc(Cl)c5C[C@H]34)[nH]c21 ZINC000528955034 1110162144 /nfs/dbraw/zinc/16/21/44/1110162144.db2.gz ZDRFRKSRIGDKBG-MJSCVDMRSA-N 0 1 361.832 4.287 20 30 FIEDMN N#Cc1csc(CN2CCC(Cc3nc(C4CCCC4)no3)CC2)c1 ZINC000529638756 1110298078 /nfs/dbraw/zinc/29/80/78/1110298078.db2.gz WUKQCTHNYHYTAE-UHFFFAOYSA-N 0 1 356.495 4.115 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)nn1C1CCCCC1 ZINC000538483808 1111163630 /nfs/dbraw/zinc/16/36/30/1111163630.db2.gz DGHFVHWAPBFAPC-INIZCTEOSA-N 0 1 361.449 4.074 20 30 FIEDMN CC1CC(C#N)(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)C1 ZINC000538793448 1111301896 /nfs/dbraw/zinc/30/18/96/1111301896.db2.gz IBKOAGVXRSZTEN-UHFFFAOYSA-N 0 1 372.297 4.095 20 30 FIEDMN Cc1ccc([C@@H](C)NCc2ccc(C#N)cc2OC(F)F)cc1[N+](=O)[O-] ZINC000539379018 1111543458 /nfs/dbraw/zinc/54/34/58/1111543458.db2.gz KZPIQIMOZNPLFR-GFCCVEGCSA-N 0 1 361.348 4.227 20 30 FIEDMN Brc1ccccc1-c1n[nH]c(SCC#Cc2ccccc2)n1 ZINC000478550853 1111806833 /nfs/dbraw/zinc/80/68/33/1111806833.db2.gz DKMZPNSTROBOJJ-UHFFFAOYSA-N 0 1 370.275 4.378 20 30 FIEDMN COc1ccc(OC(F)F)c(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000553294102 1111942144 /nfs/dbraw/zinc/94/21/44/1111942144.db2.gz YGZOZLNHYFJVTA-GOSISDBHSA-N 0 1 358.388 4.335 20 30 FIEDMN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000554026557 1112165286 /nfs/dbraw/zinc/16/52/86/1112165286.db2.gz GAGWEWQPSUJBDX-QGZVFWFLSA-N 0 1 362.788 4.098 20 30 FIEDMN Cn1cc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1C#N ZINC000480292840 1112374227 /nfs/dbraw/zinc/37/42/27/1112374227.db2.gz WMNVVMQJCGCGDC-HXUWFJFHSA-N 0 1 350.853 4.019 20 30 FIEDMN C=C(C)[C@@H](N[C@@H](C)Cn1cc(Br)cn1)c1ccc(F)c(F)c1 ZINC000480693934 1112549276 /nfs/dbraw/zinc/54/92/76/1112549276.db2.gz DWORRBFPUPIIQA-MEDUHNTESA-N 0 1 370.241 4.219 20 30 FIEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000481321526 1112893894 /nfs/dbraw/zinc/89/38/94/1112893894.db2.gz PKSZSQUHEYDLJW-UHFFFAOYSA-N 0 1 372.384 4.167 20 30 FIEDMN Cc1nn(Cc2ccccc2)c(C)c1CN1CCc2c(CC#N)cccc2C1 ZINC000600214238 1112930291 /nfs/dbraw/zinc/93/02/91/1112930291.db2.gz NQMPJKCEMODZBK-UHFFFAOYSA-N 0 1 370.500 4.173 20 30 FIEDMN CCOc1ccc(C[C@@H](C)C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1 ZINC000842306664 1112934293 /nfs/dbraw/zinc/93/42/93/1112934293.db2.gz KMONXIXYWUTFFL-QAPCUYQASA-N 0 1 361.445 4.325 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C3CCC3)cc2)n1 ZINC000482589530 1113304340 /nfs/dbraw/zinc/30/43/40/1113304340.db2.gz SRENEQXZJBTJKE-OAHLLOKOSA-N 0 1 354.431 4.077 20 30 FIEDMN C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000249276746 1113437388 /nfs/dbraw/zinc/43/73/88/1113437388.db2.gz MSFQLKDTAFMYQP-WMLDXEAASA-N 0 1 368.868 4.018 20 30 FIEDMN CCOc1ncc(C(=O)C(C#N)c2nccc3ccccc32)cc1Cl ZINC000483191953 1113463931 /nfs/dbraw/zinc/46/39/31/1113463931.db2.gz FQBSPZBCZAWKMB-HNNXBMFYSA-N 0 1 351.793 4.172 20 30 FIEDMN CN(C(=O)C1CC1)c1ccccc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000483208926 1113465563 /nfs/dbraw/zinc/46/55/63/1113465563.db2.gz BCPZDQHBCCDDHP-IBGZPJMESA-N 0 1 369.424 4.098 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000486947073 1113682742 /nfs/dbraw/zinc/68/27/42/1113682742.db2.gz RDGXUHFBZHBOPX-UONOGXRCSA-N 0 1 357.458 4.156 20 30 FIEDMN Cc1nc(C(C)(C)C)sc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000488258938 1113891312 /nfs/dbraw/zinc/89/13/12/1113891312.db2.gz SUISMVCDCIYVFX-LBPRGKRZSA-N 0 1 352.463 4.126 20 30 FIEDMN N#CCCCCCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000911247311 1113959585 /nfs/dbraw/zinc/95/95/85/1113959585.db2.gz XAMNYERVKLSIIB-LJQANCHMSA-N 0 1 356.857 4.011 20 30 FIEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000489867494 1114180971 /nfs/dbraw/zinc/18/09/71/1114180971.db2.gz AQCBMUCMFDTYNC-UHFFFAOYSA-N 0 1 361.445 4.222 20 30 FIEDMN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055558710 1114495471 /nfs/dbraw/zinc/49/54/71/1114495471.db2.gz VVAPSDMYEIRRJI-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN Cc1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 ZINC000588348528 1114576708 /nfs/dbraw/zinc/57/67/08/1114576708.db2.gz PMOAMQLTBWCNHU-SFHVURJKSA-N 0 1 352.397 4.219 20 30 FIEDMN Cc1nn(-c2ccccc2)cc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000588348528 1114576711 /nfs/dbraw/zinc/57/67/11/1114576711.db2.gz PMOAMQLTBWCNHU-SFHVURJKSA-N 0 1 352.397 4.219 20 30 FIEDMN COCCN(Cc1cc2cc(Cl)cnc2o1)Cc1ccc(C#N)cc1 ZINC000590639009 1114957072 /nfs/dbraw/zinc/95/70/72/1114957072.db2.gz RLMBCYLIBSUFLZ-UHFFFAOYSA-N 0 1 355.825 4.001 20 30 FIEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000590869771 1114989052 /nfs/dbraw/zinc/98/90/52/1114989052.db2.gz OUWIPNUHGNRVRG-UHFFFAOYSA-N 0 1 366.343 4.038 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000591887855 1115169879 /nfs/dbraw/zinc/16/98/79/1115169879.db2.gz GYZMIHBNMQRKMB-UHFFFAOYSA-N 0 1 357.479 4.186 20 30 FIEDMN CCCCN(Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCc2ncsc2C1 ZINC000592187748 1115220049 /nfs/dbraw/zinc/22/00/49/1115220049.db2.gz LCHZVJBZLARQHE-HNNXBMFYSA-N 0 1 370.478 4.083 20 30 FIEDMN CC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1F ZINC000593065551 1115280008 /nfs/dbraw/zinc/28/00/08/1115280008.db2.gz XOBLCXAKXMQQNN-YWZLYKJASA-N 0 1 371.431 4.341 20 30 FIEDMN C[C@@H](N[C@@H](CCO)c1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000592398032 1115299922 /nfs/dbraw/zinc/29/99/22/1115299922.db2.gz WGZSLVZDQMZGGS-ACJLOTCBSA-N 0 1 364.367 4.231 20 30 FIEDMN COc1cc(F)c([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1OC ZINC000594519114 1115458205 /nfs/dbraw/zinc/45/82/05/1115458205.db2.gz UNYQYTFFDTUFGO-AWEZNQCLSA-N 0 1 354.425 4.445 20 30 FIEDMN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(Br)cn1 ZINC000594516735 1115458310 /nfs/dbraw/zinc/45/83/10/1115458310.db2.gz FCYUGLLTMUTZFK-CYBMUJFWSA-N 0 1 356.267 4.446 20 30 FIEDMN COc1ccccc1-c1ncc(CNC2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000594517371 1115458571 /nfs/dbraw/zinc/45/85/71/1115458571.db2.gz BHBWJALFXDCNRI-UHFFFAOYSA-N 0 1 370.456 4.193 20 30 FIEDMN COc1cc(NC(C)=O)ccc1[C@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594516702 1115458841 /nfs/dbraw/zinc/45/88/41/1115458841.db2.gz DJDCNAYTIYIPTI-HNNXBMFYSA-N 0 1 363.461 4.255 20 30 FIEDMN Cc1nn(-c2cccc(Br)c2)cc1CN1CCC(C)(C#N)CC1 ZINC000594606022 1115470153 /nfs/dbraw/zinc/47/01/53/1115470153.db2.gz QPZYFXCELVOBTA-UHFFFAOYSA-N 0 1 373.298 4.069 20 30 FIEDMN CC[C@H](C)NC(=O)c1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594926614 1115490941 /nfs/dbraw/zinc/49/09/41/1115490941.db2.gz UOVZGJWERKVQBU-KRWDZBQOSA-N 0 1 361.489 4.060 20 30 FIEDMN Cc1ccc(-c2cc(CNC3(c4cccc(C#N)c4)CCOCC3)on2)cc1 ZINC000595775409 1115562829 /nfs/dbraw/zinc/56/28/29/1115562829.db2.gz WBPAENRXTSVBSA-UHFFFAOYSA-N 0 1 373.456 4.317 20 30 FIEDMN CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1cccnc1 ZINC000596594971 1115600379 /nfs/dbraw/zinc/60/03/79/1115600379.db2.gz WCNZVBHMGUZCOU-LJQANCHMSA-N 0 1 368.868 4.018 20 30 FIEDMN CC1(C)CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1cccnc1 ZINC000596594971 1115600380 /nfs/dbraw/zinc/60/03/80/1115600380.db2.gz WCNZVBHMGUZCOU-LJQANCHMSA-N 0 1 368.868 4.018 20 30 FIEDMN N#CC1(c2ccc(CN3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC000597162331 1115645361 /nfs/dbraw/zinc/64/53/61/1115645361.db2.gz WRQNBFDWZFOUTA-WOJBJXKFSA-N 0 1 352.865 4.203 20 30 FIEDMN COc1cc([C@H](C)NCc2cccc(C#N)n2)ccc1OC1CCCC1 ZINC000602514600 1115707707 /nfs/dbraw/zinc/70/77/07/1115707707.db2.gz ODYHTUUSIPXSSX-HNNXBMFYSA-N 0 1 351.450 4.134 20 30 FIEDMN N#Cc1cccc(CN2CCC(Nc3cccc(C(F)(F)F)n3)CC2)c1 ZINC000593514463 1115710618 /nfs/dbraw/zinc/71/06/18/1115710618.db2.gz BJXXDFVQCWBIBD-UHFFFAOYSA-N 0 1 360.383 4.049 20 30 FIEDMN Cc1nc(-c2ccccc2)oc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000602897887 1115732419 /nfs/dbraw/zinc/73/24/19/1115732419.db2.gz UGUVATVFPJREES-UHFFFAOYSA-N 0 1 373.456 4.317 20 30 FIEDMN C[C@@H]1CN(Cc2ccc(CNc3cccc(Cl)c3C#N)cc2)C[C@@H](C)O1 ZINC000603852063 1115821551 /nfs/dbraw/zinc/82/15/51/1115821551.db2.gz IISQONIBYHORJB-HZPDHXFCSA-N 0 1 369.896 4.433 20 30 FIEDMN CN(C)C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000599627410 1115831962 /nfs/dbraw/zinc/83/19/62/1115831962.db2.gz MGPBSUKWTLXUTE-GOSISDBHSA-N 0 1 366.267 4.397 20 30 FIEDMN CC(C)(C)Cc1nc(-c2cccc(C(=O)C(C#N)c3ccccn3)c2)no1 ZINC000076825399 1115835224 /nfs/dbraw/zinc/83/52/24/1115835224.db2.gz INYMBBYKYBQTQW-INIZCTEOSA-N 0 1 360.417 4.210 20 30 FIEDMN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1Cc1ccncc1C#N ZINC000599653322 1115835751 /nfs/dbraw/zinc/83/57/51/1115835751.db2.gz UPPHNCHLFREEKW-BBRMVZONSA-N 0 1 356.267 4.094 20 30 FIEDMN CCCCOc1ccccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000603986993 1115837279 /nfs/dbraw/zinc/83/72/79/1115837279.db2.gz FTDNQWUWABPLLE-UHFFFAOYSA-N 0 1 364.854 4.191 20 30 FIEDMN C#CCOc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000172116858 1115916656 /nfs/dbraw/zinc/91/66/56/1115916656.db2.gz HOTXGOPNTPDHLQ-INIZCTEOSA-N 0 1 363.436 4.183 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H](C)Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000593973797 1115942039 /nfs/dbraw/zinc/94/20/39/1115942039.db2.gz WMFOIQNVTZCFMD-IERDGZPVSA-N 0 1 372.472 4.285 20 30 FIEDMN COc1ccc2oc([C@@H](C)NCc3ccc(OC)c(C#N)c3)c(C)c2c1 ZINC000174365258 1116131006 /nfs/dbraw/zinc/13/10/06/1116131006.db2.gz GDWLWJBHEWZOJE-CQSZACIVSA-N 0 1 350.418 4.481 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000534837556 1116243381 /nfs/dbraw/zinc/24/33/81/1116243381.db2.gz NWZCRDUGIRSUSP-MSOLQXFVSA-N 0 1 369.452 4.043 20 30 FIEDMN COc1cc(CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1C#N ZINC000443067147 1116339047 /nfs/dbraw/zinc/33/90/47/1116339047.db2.gz LHKIVSOQEWNSNU-SFHVURJKSA-N 0 1 366.852 4.434 20 30 FIEDMN CCOc1ccc2c(c1)CCN(Cc1cccc(OCCCC#N)c1)C2 ZINC000539850124 1116390716 /nfs/dbraw/zinc/39/07/16/1116390716.db2.gz JPRZXTXYRGUKNU-UHFFFAOYSA-N 0 1 350.462 4.326 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)CCCc2ccc(Br)s2)n1 ZINC000122327294 1117782592 /nfs/dbraw/zinc/78/25/92/1117782592.db2.gz BIOHEYOGVHFEHX-LLVKDONJSA-N 0 1 369.309 4.475 20 30 FIEDMN CN(Cc1ccco1)Cc1ccccc1CNc1nc2c(cc1C#N)CCC2 ZINC000462869116 1117826683 /nfs/dbraw/zinc/82/66/83/1117826683.db2.gz DOVJVOFUFXVFKX-UHFFFAOYSA-N 0 1 372.472 4.279 20 30 FIEDMN COc1ccc([C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000540186041 1117926760 /nfs/dbraw/zinc/92/67/60/1117926760.db2.gz JHTPARYWJXUKRX-AWEZNQCLSA-N 0 1 363.379 4.425 20 30 FIEDMN COc1ccc([C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000540186042 1117926802 /nfs/dbraw/zinc/92/68/02/1117926802.db2.gz JHTPARYWJXUKRX-CQSZACIVSA-N 0 1 363.379 4.425 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1cccc(OC)c1 ZINC000540329192 1117994408 /nfs/dbraw/zinc/99/44/08/1117994408.db2.gz DIFDPVXJTOMRCW-HNNXBMFYSA-N 0 1 356.491 4.263 20 30 FIEDMN C[C@H](NCC#Cc1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000540350440 1117996943 /nfs/dbraw/zinc/99/69/43/1117996943.db2.gz BYADTHDBOFBQLG-HNNXBMFYSA-N 0 1 352.865 4.391 20 30 FIEDMN CC(C)(C)C[C@H](NCC(=O)Nc1sccc1C#N)c1ccc(F)cc1 ZINC000540351531 1117997367 /nfs/dbraw/zinc/99/73/67/1117997367.db2.gz JEZBBLJSFXBCFU-INIZCTEOSA-N 0 1 359.470 4.464 20 30 FIEDMN CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000540352677 1117998335 /nfs/dbraw/zinc/99/83/35/1117998335.db2.gz VGZNOAQLRGGQAM-GOSISDBHSA-N 0 1 371.868 4.290 20 30 FIEDMN OC[C@]1(Cc2ccccc2)CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000463442726 1118165633 /nfs/dbraw/zinc/16/56/33/1118165633.db2.gz VSAXPRYNCDZCOE-QFIPXVFZSA-N 0 1 353.893 4.009 20 30 FIEDMN CC(C)c1csc([C@H](C#N)C(=O)c2ccc(OC3CCCC3)nc2)n1 ZINC000540998998 1118346191 /nfs/dbraw/zinc/34/61/91/1118346191.db2.gz ASGSJDVJBQDVFT-OAHLLOKOSA-N 0 1 355.463 4.473 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(OC3CCCC3)nc2)n1 ZINC000540998998 1118346197 /nfs/dbraw/zinc/34/61/97/1118346197.db2.gz ASGSJDVJBQDVFT-OAHLLOKOSA-N 0 1 355.463 4.473 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@](C)(C#N)C(C)(C)C)c1 ZINC000464151691 1118458416 /nfs/dbraw/zinc/45/84/16/1118458416.db2.gz JSXAYYZJVYACCI-HSZRJFAPSA-N 0 1 363.505 4.377 20 30 FIEDMN CN(Cc1ccc(CC#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000541283285 1118462971 /nfs/dbraw/zinc/46/29/71/1118462971.db2.gz ZJJJVIZUVKVOLD-RBUKOAKNSA-N 0 1 361.272 4.150 20 30 FIEDMN N#CC(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1cc(C(F)(F)F)ccn1 ZINC000464409838 1118546160 /nfs/dbraw/zinc/54/61/60/1118546160.db2.gz HUYQPPPIKUSLKX-ZDUSSCGKSA-N 0 1 374.297 4.120 20 30 FIEDMN N#C[C@H](C(=O)c1c[nH]nc1-c1ccsc1)c1cc(C(F)(F)F)ccn1 ZINC000464415522 1118548465 /nfs/dbraw/zinc/54/84/65/1118548465.db2.gz XSQKAQVESXMBQW-NSHDSACASA-N 0 1 362.336 4.042 20 30 FIEDMN N#Cc1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)ccc1Cl ZINC000541609961 1118579921 /nfs/dbraw/zinc/57/99/21/1118579921.db2.gz BOGULOPINASJPV-KRWDZBQOSA-N 0 1 366.808 4.192 20 30 FIEDMN CCC[C@]1(C)CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000464846026 1118719612 /nfs/dbraw/zinc/71/96/12/1118719612.db2.gz IJJCIVUAAWDIPU-DYESRHJHSA-N 0 1 359.489 4.363 20 30 FIEDMN N#Cc1c(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cn2ccccc12 ZINC000443661419 1118743719 /nfs/dbraw/zinc/74/37/19/1118743719.db2.gz XGTQTWOMKKCHEB-HNNXBMFYSA-N 0 1 374.419 4.471 20 30 FIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(CC#N)ccn2)c1 ZINC000542226003 1118858180 /nfs/dbraw/zinc/85/81/80/1118858180.db2.gz WODFYIPUEZMBPB-UHFFFAOYSA-N 0 1 370.456 4.032 20 30 FIEDMN Cc1cc(C)cc([C@@H]2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)C2)c1 ZINC000542322701 1118904721 /nfs/dbraw/zinc/90/47/21/1118904721.db2.gz WHCMKVKGINWVIN-LJQANCHMSA-N 0 1 358.445 4.215 20 30 FIEDMN CC[C@H](C)NC(=O)c1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271933300 1119004471 /nfs/dbraw/zinc/00/44/71/1119004471.db2.gz MDIIHRYIJSKTLY-GJZGRUSLSA-N 0 1 353.441 4.076 20 30 FIEDMN CCS[C@H]1CC[C@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000174880704 1119158841 /nfs/dbraw/zinc/15/88/41/1119158841.db2.gz JIORKONQPXSYCJ-IRXDYDNUSA-N 0 1 369.534 4.344 20 30 FIEDMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000174880718 1119159162 /nfs/dbraw/zinc/15/91/62/1119159162.db2.gz JIORKONQPXSYCJ-IAGOWNOFSA-N 0 1 369.534 4.344 20 30 FIEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(OCC(F)(F)F)nc2)n1 ZINC000177757310 1119349333 /nfs/dbraw/zinc/34/93/33/1119349333.db2.gz MJXWVCZEVJCKMC-NSHDSACASA-N 0 1 369.368 4.093 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(OCC(F)(F)F)nc2)n1 ZINC000177757310 1119349335 /nfs/dbraw/zinc/34/93/35/1119349335.db2.gz MJXWVCZEVJCKMC-NSHDSACASA-N 0 1 369.368 4.093 20 30 FIEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C#N)cs2)cc1 ZINC000176461103 1119432273 /nfs/dbraw/zinc/43/22/73/1119432273.db2.gz USCZVTYNLHWHDT-WBMJQRKESA-N 0 1 351.431 4.094 20 30 FIEDMN Cc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c(OCC2CC2)c1 ZINC000152770535 1119499051 /nfs/dbraw/zinc/49/90/51/1119499051.db2.gz MICWELAASIUSDF-KRWDZBQOSA-N 0 1 350.462 4.365 20 30 FIEDMN C=CCN(CCc1ccco1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000493879152 1119502581 /nfs/dbraw/zinc/50/25/81/1119502581.db2.gz UGCQRSQXQCSXCN-UHFFFAOYSA-N 0 1 360.364 4.356 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185516823 1119668404 /nfs/dbraw/zinc/66/84/04/1119668404.db2.gz HWVDWZLUFWYQGV-ZDUSSCGKSA-N 0 1 363.446 4.118 20 30 FIEDMN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185963212 1119697528 /nfs/dbraw/zinc/69/75/28/1119697528.db2.gz FTHYMIGXQUKZTM-DHSIGJKJSA-N 0 1 352.881 4.190 20 30 FIEDMN Fc1ccc([C@@H](CC(F)(F)F)NCCOCC(F)(F)C(F)F)cc1 ZINC000189834696 1119917756 /nfs/dbraw/zinc/91/77/56/1119917756.db2.gz FKNQCAJEOULOBL-LLVKDONJSA-N 0 1 365.264 4.326 20 30 FIEDMN COc1cc(Br)ccc1[C@@H](C)NCc1ccc(C#N)s1 ZINC000190449010 1119938260 /nfs/dbraw/zinc/93/82/60/1119938260.db2.gz KONGQNFMCOJPBY-SNVBAGLBSA-N 0 1 351.269 4.242 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000191416084 1119976121 /nfs/dbraw/zinc/97/61/21/1119976121.db2.gz VZZLIQQJFLPOLG-LJQANCHMSA-N 0 1 373.541 4.017 20 30 FIEDMN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000191416101 1119976408 /nfs/dbraw/zinc/97/64/08/1119976408.db2.gz VZZLIQQJFLPOLG-IBGZPJMESA-N 0 1 373.541 4.017 20 30 FIEDMN COc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1Br ZINC000192148691 1120029308 /nfs/dbraw/zinc/02/93/08/1120029308.db2.gz CDBJTXQMDOKKAO-NSHDSACASA-N 0 1 363.230 4.319 20 30 FIEDMN CC(C)(C#N)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000193056557 1120331839 /nfs/dbraw/zinc/33/18/39/1120331839.db2.gz XKLNTJKLVRVNBN-GOSISDBHSA-N 0 1 366.465 4.039 20 30 FIEDMN C=CCN(Cc1cc(Cl)cs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000494943076 1120392203 /nfs/dbraw/zinc/39/22/03/1120392203.db2.gz SXXXPPKRIYGONH-ZDUSSCGKSA-N 0 1 359.886 4.126 20 30 FIEDMN C=C[C@@H](C(=O)Nc1ccc(CN2CCSCC2)cc1C)c1ccccc1 ZINC001626016377 1120438737 /nfs/dbraw/zinc/43/87/37/1120438737.db2.gz VAGYFFMXZZICHO-HXUWFJFHSA-N 0 1 366.530 4.452 20 30 FIEDMN C=CC[C@H](CO)CN[C@H](c1ccccc1)c1ccccc1Br ZINC000495061371 1120448869 /nfs/dbraw/zinc/44/88/69/1120448869.db2.gz COOFFFVNENMSFW-HNAYVOBHSA-N 0 1 360.295 4.313 20 30 FIEDMN O=C1CCc2cc(F)c(N=Cc3cc(Cl)cc(Cl)c3O)cc2N1 ZINC000914702415 1120479411 /nfs/dbraw/zinc/47/94/11/1120479411.db2.gz FNZQCYGYJXKNIN-UHFFFAOYSA-N 0 1 353.180 4.473 20 30 FIEDMN CCC[C@H](C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1)C(C)C ZINC000153331507 1120505937 /nfs/dbraw/zinc/50/59/37/1120505937.db2.gz VCFGVOXUQHHQAC-KBPBESRZSA-N 0 1 350.846 4.068 20 30 FIEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000762025459 1120660872 /nfs/dbraw/zinc/66/08/72/1120660872.db2.gz OARGCPKGSBQQND-GXTWGEPZSA-N 0 1 364.873 4.377 20 30 FIEDMN FC(F)(F)c1cccnc1NN=Cc1csc(Br)c1 ZINC000915050591 1120757572 /nfs/dbraw/zinc/75/75/72/1120757572.db2.gz WFXATTNBJIBGBK-UHFFFAOYSA-N 0 1 350.163 4.370 20 30 FIEDMN CC(=Cc1ccc(-c2cccc(F)c2)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193613552 1120982265 /nfs/dbraw/zinc/98/22/65/1120982265.db2.gz INXSUWBCBLFVHO-DHZHZOJOSA-N 0 1 351.406 4.378 20 30 FIEDMN N#Cc1ccc([C@@H](O)CN2CCC[C@H]2c2ccc(Br)cc2)cc1 ZINC000763232675 1121300210 /nfs/dbraw/zinc/30/02/10/1121300210.db2.gz AOANZWAITOBLJS-OALUTQOASA-N 0 1 371.278 4.191 20 30 FIEDMN O=C1OCCN1Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 ZINC000915981790 1121362206 /nfs/dbraw/zinc/36/22/06/1121362206.db2.gz HKENTFYGSQBOBR-UHFFFAOYSA-N 0 1 365.216 4.402 20 30 FIEDMN CC(N=Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C2CCCCC2)cc1 ZINC000916241084 1121450827 /nfs/dbraw/zinc/45/08/27/1121450827.db2.gz FZSOZVCSAUGHNP-UHFFFAOYSA-N 0 1 371.506 4.218 20 30 FIEDMN Cc1nn(Cc2ccccc2)c(Cl)c1CN=Nc1ccccc1[N+](=O)[O-] ZINC000916250064 1121457561 /nfs/dbraw/zinc/45/75/61/1121457561.db2.gz ILZHKTWUWLZKQG-UHFFFAOYSA-N 0 1 369.812 4.247 20 30 FIEDMN CC(C)CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 ZINC000108358190 1121532066 /nfs/dbraw/zinc/53/20/66/1121532066.db2.gz SAXBVFUJMBRMPJ-MRXNPFEDSA-N 0 1 359.539 4.387 20 30 FIEDMN CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000916541492 1121538717 /nfs/dbraw/zinc/53/87/17/1121538717.db2.gz YDJNQSYSMVUSCQ-UHFFFAOYSA-N 0 1 368.437 4.122 20 30 FIEDMN N#CC1CCN(Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 ZINC000123658562 1121621997 /nfs/dbraw/zinc/62/19/97/1121621997.db2.gz OBNBAIYZHZUCOA-CQSZACIVSA-N 0 1 366.305 4.294 20 30 FIEDMN Cc1cc(C(C#N)C(=O)CCn2c3ccccc3c3ccccc32)nc(C)n1 ZINC000916880051 1121907470 /nfs/dbraw/zinc/90/74/70/1121907470.db2.gz JEJAAYYWSZSNIP-IBGZPJMESA-N 0 1 368.440 4.468 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2cc3c4ccccc4n(C)c3s2)nc(C)n1 ZINC000916880709 1121908265 /nfs/dbraw/zinc/90/82/65/1121908265.db2.gz UTGCJUKKGCXELY-OAHLLOKOSA-N 0 1 360.442 4.290 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000126234049 1121938543 /nfs/dbraw/zinc/93/85/43/1121938543.db2.gz UUXZLSBFAHQUCA-LSDHHAIUSA-N 0 1 373.859 4.465 20 30 FIEDMN Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccn1C(C)C ZINC000497368047 1122166827 /nfs/dbraw/zinc/16/68/27/1122166827.db2.gz VHKOTOCTYUFDTE-MRXNPFEDSA-N 0 1 350.447 4.386 20 30 FIEDMN Cc1c(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)ccn1C(C)C ZINC000497368047 1122166835 /nfs/dbraw/zinc/16/68/35/1122166835.db2.gz VHKOTOCTYUFDTE-MRXNPFEDSA-N 0 1 350.447 4.386 20 30 FIEDMN N#Cc1ccc(CN(CCc2ccccn2)Cc2ccc(F)cc2)s1 ZINC000130819638 1122193397 /nfs/dbraw/zinc/19/33/97/1122193397.db2.gz UXOAKAXQFFUJIE-UHFFFAOYSA-N 0 1 351.450 4.399 20 30 FIEDMN N#CC(C(=O)c1ccc(Br)c(F)c1)c1nc2ccccc2o1 ZINC000067799249 1122203198 /nfs/dbraw/zinc/20/31/98/1122203198.db2.gz GRGDPGUGJLSNBB-JTQLQIEISA-N 0 1 359.154 4.219 20 30 FIEDMN CC(C)[C@H](c1ccccc1)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000497410161 1122220474 /nfs/dbraw/zinc/22/04/74/1122220474.db2.gz UPCDRDARADYXPS-HXUWFJFHSA-N 0 1 355.869 4.479 20 30 FIEDMN CC(C)Oc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000056170604 1122297416 /nfs/dbraw/zinc/29/74/16/1122297416.db2.gz SMCVROICFUDJEN-CVEARBPZSA-N 0 1 351.450 4.023 20 30 FIEDMN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C)ccc1Cl ZINC000498008138 1122520643 /nfs/dbraw/zinc/52/06/43/1122520643.db2.gz RFGYIGHBTQTDPK-UHFFFAOYSA-N 0 1 363.870 4.143 20 30 FIEDMN N#CCCCOc1cccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)c1 ZINC000129875795 1122707035 /nfs/dbraw/zinc/70/70/35/1122707035.db2.gz AQVXDURAFQSOID-UHFFFAOYSA-N 0 1 364.380 4.151 20 30 FIEDMN N#Cc1ccc(OCCN[C@@H](c2cc3ccccc3o2)c2cccnc2)cc1 ZINC000498804896 1123021358 /nfs/dbraw/zinc/02/13/58/1123021358.db2.gz WZMRZEPQYXUANB-HSZRJFAPSA-N 0 1 369.424 4.457 20 30 FIEDMN Cc1ccccc1C1(C(=O)C(C#N)c2nc3ccccc3o2)CCOCC1 ZINC000920115885 1123363003 /nfs/dbraw/zinc/36/30/03/1123363003.db2.gz NZKYVMWSFBZUCS-INIZCTEOSA-N 0 1 360.413 4.061 20 30 FIEDMN CCCCCCCCc1nnc(NC(=O)Cc2n[nH]c3ccccc23)s1 ZINC000920278188 1123430949 /nfs/dbraw/zinc/43/09/49/1123430949.db2.gz AUCIQLPVAQSTLO-UHFFFAOYSA-N 0 1 371.510 4.499 20 30 FIEDMN Cn1cc(C=NNc2ccccc2[N+](=O)[O-])c(-c2cc3ccccc3o2)n1 ZINC000920356087 1123446260 /nfs/dbraw/zinc/44/62/60/1123446260.db2.gz JAGICGRQYSAUSF-UHFFFAOYSA-N 0 1 361.361 4.188 20 30 FIEDMN FC(F)(F)c1ccc(-c2ccc(C=NNc3ncnc4nc[nH]c43)o2)cc1 ZINC000920374055 1123449171 /nfs/dbraw/zinc/44/91/71/1123449171.db2.gz WGAXJNHWESEGQU-UHFFFAOYSA-N 0 1 372.310 4.078 20 30 FIEDMN C#CCOc1ccc(Br)cc1CNCc1ccc(OCC)cc1 ZINC000920414100 1123454160 /nfs/dbraw/zinc/45/41/60/1123454160.db2.gz PHFHLKGBDZZXGC-UHFFFAOYSA-N 0 1 374.278 4.150 20 30 FIEDMN Oc1c(Br)cc(Br)cc1/C=N\Cc1ccco1 ZINC000920943607 1123540228 /nfs/dbraw/zinc/54/02/28/1123540228.db2.gz VHTBTSGCCUFPMV-UUASQNMZSA-N 0 1 359.017 4.129 20 30 FIEDMN CCOc1ccccc1CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000064614254 1123867469 /nfs/dbraw/zinc/86/74/69/1123867469.db2.gz JJWHNHANJXPRAR-UHFFFAOYSA-N 0 1 354.450 4.066 20 30 FIEDMN N#CC(C(=O)[C@@H]1CCOc2ccccc21)c1nc2ccccc2n1C(F)F ZINC000170849172 1123940172 /nfs/dbraw/zinc/94/01/72/1123940172.db2.gz VFBOOTSCAOECMI-KGLIPLIRSA-N 0 1 367.355 4.174 20 30 FIEDMN C=CCOc1ccc(CN2CCC[C@H]2c2ccc(COC)o2)cc1OC ZINC000137079543 1123960976 /nfs/dbraw/zinc/96/09/76/1123960976.db2.gz ZPDRZWKJLHELAU-SFHVURJKSA-N 0 1 357.450 4.337 20 30 FIEDMN C=CCc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1O ZINC000080347377 1123963175 /nfs/dbraw/zinc/96/31/75/1123963175.db2.gz MKXUUZISOINTGX-UHFFFAOYSA-N 0 1 356.422 4.062 20 30 FIEDMN CC(C)NC(=O)Nc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080454302 1123966192 /nfs/dbraw/zinc/96/61/92/1123966192.db2.gz HDDBDSFVNOVHTG-HNNXBMFYSA-N 0 1 370.478 4.286 20 30 FIEDMN CC(C)NC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1 ZINC000080454302 1123966195 /nfs/dbraw/zinc/96/61/95/1123966195.db2.gz HDDBDSFVNOVHTG-HNNXBMFYSA-N 0 1 370.478 4.286 20 30 FIEDMN CC(C)NC(=O)Nc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080454304 1123966402 /nfs/dbraw/zinc/96/64/02/1123966402.db2.gz HDDBDSFVNOVHTG-OAHLLOKOSA-N 0 1 370.478 4.286 20 30 FIEDMN CC(C)NC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1 ZINC000080454304 1123966404 /nfs/dbraw/zinc/96/64/04/1123966404.db2.gz HDDBDSFVNOVHTG-OAHLLOKOSA-N 0 1 370.478 4.286 20 30 FIEDMN C[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(C#N)c1 ZINC000542776542 1124254109 /nfs/dbraw/zinc/25/41/09/1124254109.db2.gz LZSIABFZWIODDH-KZULUSFZSA-N 0 1 374.271 4.321 20 30 FIEDMN Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccc(CN(C)C)c(F)c1 ZINC000301893211 1124269271 /nfs/dbraw/zinc/26/92/71/1124269271.db2.gz SHLXDGVJAMBYPP-UHFFFAOYSA-N 0 1 366.415 4.367 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccccc1Cl ZINC000108251905 1124270314 /nfs/dbraw/zinc/27/03/14/1124270314.db2.gz GWNPUQJTFYCVPS-GFCCVEGCSA-N 0 1 366.895 4.393 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4ncc(C#N)cc4Cl)C3)[nH]c2c1 ZINC000302111263 1124285131 /nfs/dbraw/zinc/28/51/31/1124285131.db2.gz AMKOMNCIOFLEKP-CQSZACIVSA-N 0 1 351.841 4.175 20 30 FIEDMN Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccccc2C#N)cc1 ZINC000057735463 1124390094 /nfs/dbraw/zinc/39/00/94/1124390094.db2.gz CLTZNJCJPXLFKH-UHFFFAOYSA-N 0 1 363.442 4.411 20 30 FIEDMN CSc1nc(C2CC2)cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1C#N ZINC000554807915 1124475335 /nfs/dbraw/zinc/47/53/35/1124475335.db2.gz UUIRRMFAWYRVBW-UHFFFAOYSA-N 0 1 374.429 4.146 20 30 FIEDMN N#Cc1ccc(OC2CCN(C/C=C/c3ccc(F)cc3)CC2)c(F)c1 ZINC000554878073 1124582493 /nfs/dbraw/zinc/58/24/93/1124582493.db2.gz FJXWOQAOIISLCB-OWOJBTEDSA-N 0 1 354.400 4.393 20 30 FIEDMN Cc1c([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cnn1C ZINC000060975771 1124703342 /nfs/dbraw/zinc/70/33/42/1124703342.db2.gz FXHUHRDKHPLQFY-MRXNPFEDSA-N 0 1 360.461 4.030 20 30 FIEDMN CCOc1ccccc1[C@H](CC(C)C)NCC(=O)Nc1sccc1C#N ZINC000181263392 1124813017 /nfs/dbraw/zinc/81/30/17/1124813017.db2.gz ACUXWBXWDYBGKW-KRWDZBQOSA-N 0 1 371.506 4.334 20 30 FIEDMN C=CCC1(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000249428147 1124859050 /nfs/dbraw/zinc/85/90/50/1124859050.db2.gz IDMFCWZIZZFTKJ-MAUKXSAKSA-N 0 1 364.892 4.335 20 30 FIEDMN C=CCOc1ccc(CNC2(c3ccc(F)cc3F)CCOCC2)cc1 ZINC000089802440 1124945447 /nfs/dbraw/zinc/94/54/47/1124945447.db2.gz UTLYZGNGNMVBEN-UHFFFAOYSA-N 0 1 359.416 4.325 20 30 FIEDMN CCCC[C@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)cc1 ZINC000182146821 1125262249 /nfs/dbraw/zinc/26/22/49/1125262249.db2.gz FPXZNZJHJJZAQM-IBGZPJMESA-N 0 1 369.465 4.236 20 30 FIEDMN CCOC(=O)c1oc2c(c1C)[C@@H](N[C@@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618803767 1125284742 /nfs/dbraw/zinc/28/47/42/1125284742.db2.gz IQVTUKXYULCZAN-MSOLQXFVSA-N 0 1 364.445 4.291 20 30 FIEDMN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1nc2ccc(Cl)cc2n1C ZINC000618806807 1125285236 /nfs/dbraw/zinc/28/52/36/1125285236.db2.gz RVPZWYMLPCEBFD-SJCJKPOMSA-N 0 1 350.853 4.436 20 30 FIEDMN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1nc2ccc(Cl)cc2n1C ZINC000618806812 1125285513 /nfs/dbraw/zinc/28/55/13/1125285513.db2.gz RVPZWYMLPCEBFD-YVEFUNNKSA-N 0 1 350.853 4.436 20 30 FIEDMN CC(C)CCN1Cc2cccc(NC(=O)c3c(F)cc(C#N)cc3F)c2C1 ZINC000132200400 1125401644 /nfs/dbraw/zinc/40/16/44/1125401644.db2.gz CRLRLKOVHILGEF-UHFFFAOYSA-N 0 1 369.415 4.450 20 30 FIEDMN Cc1ncc([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000601937315 567880783 /nfs/dbraw/zinc/88/07/83/567880783.db2.gz WPWWGXUBYWULOU-CVEARBPZSA-N 0 1 370.522 4.054 20 30 FIEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1c(Cl)cccc1OC(F)F ZINC000602752615 568030346 /nfs/dbraw/zinc/03/03/46/568030346.db2.gz VTSLPPGTECTYJM-LBPRGKRZSA-N 0 1 358.816 4.130 20 30 FIEDMN COc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c(OC)c1OC ZINC000481919499 568187298 /nfs/dbraw/zinc/18/72/98/568187298.db2.gz SPQBVONZNXIIPB-IBGZPJMESA-N 0 1 366.461 4.141 20 30 FIEDMN CC(=O)c1ccc(O)c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 ZINC000436683427 568283873 /nfs/dbraw/zinc/28/38/73/568283873.db2.gz YMWGHLBDPUKONN-UHFFFAOYSA-N 0 1 371.396 4.462 20 30 FIEDMN CN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)cc1Cl ZINC000031053776 568322391 /nfs/dbraw/zinc/32/23/91/568322391.db2.gz KXRPRDHUNCGHLG-UHFFFAOYSA-N 0 1 362.260 4.326 20 30 FIEDMN N#C[C@H](C(=O)c1csc(Nc2ccccn2)n1)c1ccc2ccccc2n1 ZINC000606146276 568672498 /nfs/dbraw/zinc/67/24/98/568672498.db2.gz MNUFWUGJTQVGKY-AWEZNQCLSA-N 0 1 371.425 4.320 20 30 FIEDMN N#CC(C(=O)c1csc(Nc2ccccn2)n1)c1ccc2ccccc2n1 ZINC000606146276 568672503 /nfs/dbraw/zinc/67/25/03/568672503.db2.gz MNUFWUGJTQVGKY-AWEZNQCLSA-N 0 1 371.425 4.320 20 30 FIEDMN Cc1c(CN(C)CCC(C#N)(c2ccccc2)c2ccccc2)cnn1C ZINC000619184306 1125518855 /nfs/dbraw/zinc/51/88/55/1125518855.db2.gz IKZZWNGLOYHYKR-UHFFFAOYSA-N 0 1 358.489 4.060 20 30 FIEDMN COc1ccc(CN2CCCC[C@H]2c2cccn2C)cc1OCCCC#N ZINC000093845540 1125533306 /nfs/dbraw/zinc/53/33/06/1125533306.db2.gz XPSCIQXVYWXGFK-FQEVSTJZSA-N 0 1 367.493 4.443 20 30 FIEDMN N#CC(C(=O)c1cncc2ccccc21)c1nc(-c2ccncc2)cs1 ZINC000543058699 1125569803 /nfs/dbraw/zinc/56/98/03/1125569803.db2.gz LAAZJDLBKRZOIZ-MRXNPFEDSA-N 0 1 356.410 4.243 20 30 FIEDMN Cc1cc(C#N)ccc1CN[C@H]1CCOc2c(Br)cccc21 ZINC000619722792 1125669573 /nfs/dbraw/zinc/66/95/73/1125669573.db2.gz YMHPJNSEPVAYKA-KRWDZBQOSA-N 0 1 357.251 4.243 20 30 FIEDMN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000619724911 1125671074 /nfs/dbraw/zinc/67/10/74/1125671074.db2.gz WFMKVWJLTGMXDH-DHIUTWEWSA-N 0 1 369.468 4.128 20 30 FIEDMN Cc1nc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2[nH]1 ZINC000619804123 1125703996 /nfs/dbraw/zinc/70/39/96/1125703996.db2.gz PVQYDHZIRIIZPD-UHFFFAOYSA-N 0 1 369.384 4.183 20 30 FIEDMN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000183130375 1125754763 /nfs/dbraw/zinc/75/47/63/1125754763.db2.gz SIGPKYUCHMBVOK-CABCVRRESA-N 0 1 358.463 4.292 20 30 FIEDMN CC(C)C[C@@H](NC(=O)CNC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000579724286 1079577575 /nfs/dbraw/zinc/57/75/75/1079577575.db2.gz QWOULGOASDWGJU-OAQYLSRUSA-N 0 1 361.489 4.041 20 30 FIEDMN Cc1nn(C(C)C)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000579729712 1079589355 /nfs/dbraw/zinc/58/93/55/1079589355.db2.gz IXQNZJJHMOJRIE-LBPRGKRZSA-N 0 1 357.364 4.007 20 30 FIEDMN Cc1nn(C(C)C)cc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000579729712 1079589364 /nfs/dbraw/zinc/58/93/64/1079589364.db2.gz IXQNZJJHMOJRIE-LBPRGKRZSA-N 0 1 357.364 4.007 20 30 FIEDMN C=C(Cl)COc1ccc([C@H](C)NCc2cccc(C(=O)NCC)c2)cc1 ZINC000160203279 1079604061 /nfs/dbraw/zinc/60/40/61/1079604061.db2.gz LNINANPXMSTZSJ-INIZCTEOSA-N 0 1 372.896 4.418 20 30 FIEDMN C[C@@H](NCC(=O)N[C@@H](C)c1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000558738623 1079734427 /nfs/dbraw/zinc/73/44/27/1079734427.db2.gz ZXIUICKTYXEPPE-SJORKVTESA-N 0 1 357.457 4.239 20 30 FIEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)c1 ZINC000187004330 1079868577 /nfs/dbraw/zinc/86/85/77/1079868577.db2.gz NUMQYTKMCQEKRL-UHFFFAOYSA-N 0 1 374.771 4.117 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1n[nH]c2ccccc12 ZINC000108998587 1079909628 /nfs/dbraw/zinc/90/96/28/1079909628.db2.gz SGONXSKJCGSNRV-ZDUSSCGKSA-N 0 1 350.447 4.138 20 30 FIEDMN COc1ccc(CN[C@@H](C)c2ccc(Br)s2)cc1C#N ZINC000748098666 1080684141 /nfs/dbraw/zinc/68/41/41/1080684141.db2.gz LHNQCQQRFGBXTA-JTQLQIEISA-N 0 1 351.269 4.242 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000247108030 1080807358 /nfs/dbraw/zinc/80/73/58/1080807358.db2.gz YEWAAPZNJUZTKR-GVDBMIGSSA-N 0 1 359.539 4.387 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H](C)CCC[C@H]1C ZINC000247108030 1080807364 /nfs/dbraw/zinc/80/73/64/1080807364.db2.gz YEWAAPZNJUZTKR-GVDBMIGSSA-N 0 1 359.539 4.387 20 30 FIEDMN Cc1cccc2nc(CCC(=O)Nc3cc(C#N)ccc3OC(C)C)[nH]c21 ZINC000175775955 1081178875 /nfs/dbraw/zinc/17/88/75/1081178875.db2.gz GJXCWRSTXYGOBU-UHFFFAOYSA-N 0 1 362.433 4.102 20 30 FIEDMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(F)cc1 ZINC000063497522 1081366046 /nfs/dbraw/zinc/36/60/46/1081366046.db2.gz BXEFUTDUDWETNN-UHFFFAOYSA-N 0 1 361.174 4.010 20 30 FIEDMN CN(C)C(=O)Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000255131755 1081379919 /nfs/dbraw/zinc/37/99/19/1081379919.db2.gz UKNMHSIAYFSTTR-UHFFFAOYSA-N 0 1 351.233 4.080 20 30 FIEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(CN2CCCCC2)o1 ZINC001125398273 1081430606 /nfs/dbraw/zinc/43/06/06/1081430606.db2.gz HFKLCFJVLKNOGG-UHFFFAOYSA-N 0 1 367.449 4.177 20 30 FIEDMN COc1cccc(C(=O)/C(=C\c2ccc(O)c(Cl)c2)c2ncc[nH]2)c1 ZINC000255141442 1081456487 /nfs/dbraw/zinc/45/64/87/1081456487.db2.gz FIYRPRMBFPEEAL-OQLLNIDSSA-N 0 1 354.793 4.201 20 30 FIEDMN C[C@@H](NC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000610346235 1081501148 /nfs/dbraw/zinc/50/11/48/1081501148.db2.gz PUXFRAJSWVGOEH-OAGGEKHMSA-N 0 1 361.445 4.221 20 30 FIEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000610345895 1081501841 /nfs/dbraw/zinc/50/18/41/1081501841.db2.gz BSGRZQMGCZYVNJ-QWHCGFSZSA-N 0 1 361.367 4.255 20 30 FIEDMN COc1cc(/C=C2\CCc3cc(SC)ccc3C2=O)cc([N+](=O)[O-])c1O ZINC000748146504 1081571730 /nfs/dbraw/zinc/57/17/30/1081571730.db2.gz IYJBDSWKSAHDCX-NTUHNPAUSA-N 0 1 371.414 4.243 20 30 FIEDMN COc1cccc(Oc2ncccc2CNCc2cc(C#N)cs2)c1 ZINC000177705270 1081580005 /nfs/dbraw/zinc/58/00/05/1081580005.db2.gz PSSHBEFKXRUPAD-UHFFFAOYSA-N 0 1 351.431 4.105 20 30 FIEDMN C[C@@H](NCC(=O)Nc1nc(-c2cccs2)cs1)c1ccc(C#N)cc1 ZINC000560981435 1081601513 /nfs/dbraw/zinc/60/15/13/1081601513.db2.gz UUUKSDDESXPDME-GFCCVEGCSA-N 0 1 368.487 4.033 20 30 FIEDMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC(=O)Nc1sccc1C#N ZINC000177742075 1081787772 /nfs/dbraw/zinc/78/77/72/1081787772.db2.gz SMZOYCACTKSDLB-QWHCGFSZSA-N 0 1 361.898 4.336 20 30 FIEDMN CC(=O)c1ccc(C#N)cc1N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000580265854 1081787999 /nfs/dbraw/zinc/78/79/99/1081787999.db2.gz NIHBAJBDLXCVAD-QGZVFWFLSA-N 0 1 358.445 4.330 20 30 FIEDMN COc1sc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1Br ZINC000255203029 1081923483 /nfs/dbraw/zinc/92/34/83/1081923483.db2.gz JELRDEAQSPAFPO-HYXAFXHYSA-N 0 1 357.200 4.260 20 30 FIEDMN C=CC[N@@H+](CC1CCCCC1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC001167392891 1081924267 /nfs/dbraw/zinc/92/42/67/1081924267.db2.gz YADPGHZKEFEZAK-LJQANCHMSA-N 0 1 353.510 4.390 20 30 FIEDMN N#CC[C@H](C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccccc1 ZINC001125450782 1081967133 /nfs/dbraw/zinc/96/71/33/1081967133.db2.gz OVVVXWZHNZUJLL-LPHOPBHVSA-N 0 1 360.417 4.050 20 30 FIEDMN Fc1ccc2c(c1)[C@H](ON=Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000588384770 1082064209 /nfs/dbraw/zinc/06/42/09/1082064209.db2.gz FLEQNQUEYFQOHD-OAQYLSRUSA-N 0 1 354.425 4.090 20 30 FIEDMN CC(C)[C@H](C#N)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001167434866 1082139499 /nfs/dbraw/zinc/13/94/99/1082139499.db2.gz XBYFATWEMPEUKN-QHCPKHFHSA-N 0 1 362.521 4.314 20 30 FIEDMN N#Cc1ccc(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)c(F)c1 ZINC000177861753 1082240643 /nfs/dbraw/zinc/24/06/43/1082240643.db2.gz IJYXNDAOUQSVTR-KRWDZBQOSA-N 0 1 350.315 4.373 20 30 FIEDMN CCN(C[C@@H](C)C#N)C(=O)CN(CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000255959715 1082301477 /nfs/dbraw/zinc/30/14/77/1082301477.db2.gz CQVRKVGEONAMCS-LSDHHAIUSA-N 0 1 369.431 4.096 20 30 FIEDMN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CCC(C)(C)C#N ZINC001167447476 1082330987 /nfs/dbraw/zinc/33/09/87/1082330987.db2.gz MEEAVBUTLYAVSY-UXHICEINSA-N 0 1 371.525 4.438 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)cc2[nH]cnc21 ZINC000066856301 1082404883 /nfs/dbraw/zinc/40/48/83/1082404883.db2.gz SUSHNKKCEJQQGW-NSHDSACASA-N 0 1 354.410 4.349 20 30 FIEDMN CC(=O)Nc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)ccc1F ZINC000430579295 1082515275 /nfs/dbraw/zinc/51/52/75/1082515275.db2.gz CCAPVECYNVDHDS-GFCCVEGCSA-N 0 1 359.426 4.028 20 30 FIEDMN CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)ccc1F ZINC000430579295 1082515280 /nfs/dbraw/zinc/51/52/80/1082515280.db2.gz CCAPVECYNVDHDS-GFCCVEGCSA-N 0 1 359.426 4.028 20 30 FIEDMN COc1ccc2oc(CN3CCC(Oc4cccc(C#N)c4)CC3)cc2c1 ZINC000510518241 1083137952 /nfs/dbraw/zinc/13/79/52/1083137952.db2.gz DAJCZSVBZDNOHY-UHFFFAOYSA-N 0 1 362.429 4.356 20 30 FIEDMN CC(C)[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1nncn1C ZINC000510917798 1083401918 /nfs/dbraw/zinc/40/19/18/1083401918.db2.gz CJYQEABSRKYXBE-NRFANRHFSA-N 0 1 373.504 4.002 20 30 FIEDMN Cn1cc(/C=C\C(=O)c2ccc3ccccc3c2O)c(-c2ccncc2)n1 ZINC000255735696 1083457052 /nfs/dbraw/zinc/45/70/52/1083457052.db2.gz JALUDSGPVMKHMI-CLFYSBASSA-N 0 1 355.397 4.237 20 30 FIEDMN O=C(Nc1cccc(C#Cc2cccs2)c1)c1cn[nH]c1-c1ccncc1 ZINC000612176247 1083515177 /nfs/dbraw/zinc/51/51/77/1083515177.db2.gz PVLMGPHZUQDQKY-UHFFFAOYSA-N 0 1 370.437 4.185 20 30 FIEDMN CC(C)Oc1cccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000179671916 1083592049 /nfs/dbraw/zinc/59/20/49/1083592049.db2.gz SGSJZRIXOJUUOW-AWEZNQCLSA-N 0 1 371.868 4.288 20 30 FIEDMN Cc1cc(C(C#N)C(=O)Cc2coc3c2ccc(Cl)c3C)nc(C)n1 ZINC000892475861 1083594440 /nfs/dbraw/zinc/59/44/40/1083594440.db2.gz OKAJYWUSEFMTHD-HNNXBMFYSA-N 0 1 353.809 4.220 20 30 FIEDMN CCOc1ccccc1[C@H](CC)N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000179751920 1083615265 /nfs/dbraw/zinc/61/52/65/1083615265.db2.gz KEXZRKRRWNFVQE-KSSFIOAISA-N 0 1 369.465 4.235 20 30 FIEDMN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CCC(=O)Nc1sccc1C#N ZINC000535792215 1083665065 /nfs/dbraw/zinc/66/50/65/1083665065.db2.gz OTRSSVZWTSEZJS-STQMWFEESA-N 0 1 357.454 4.095 20 30 FIEDMN CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000610811810 1083723752 /nfs/dbraw/zinc/72/37/52/1083723752.db2.gz YPKMOZZSWJKIIN-HNNXBMFYSA-N 0 1 368.456 4.422 20 30 FIEDMN N#Cc1ccc(CN2CCCN(C(=O)CCCC3CCCCC3)CC2)cc1 ZINC000247633005 1083738699 /nfs/dbraw/zinc/73/86/99/1083738699.db2.gz BVWQOPLPTFRNTP-UHFFFAOYSA-N 0 1 367.537 4.343 20 30 FIEDMN C=C(C)CCN[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000569886078 1083746891 /nfs/dbraw/zinc/74/68/91/1083746891.db2.gz QKRIKXVSRHFQOW-LJQANCHMSA-N 0 1 365.445 4.014 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3cccc(C#N)c3C)[nH]c2c1 ZINC000610905645 1083832758 /nfs/dbraw/zinc/83/27/58/1083832758.db2.gz NHUZDXXTGAJFOI-LJQANCHMSA-N 0 1 359.433 4.420 20 30 FIEDMN CCN(CC)Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)o1 ZINC000610934305 1083858495 /nfs/dbraw/zinc/85/84/95/1083858495.db2.gz PLKBQTMHVHSRLO-UHFFFAOYSA-N 0 1 355.438 4.033 20 30 FIEDMN COc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)c(SC)cc1OC ZINC000187699761 1084034719 /nfs/dbraw/zinc/03/47/19/1084034719.db2.gz XQGSMGKLFINXDH-CQSZACIVSA-N 0 1 356.491 4.490 20 30 FIEDMN CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1OC ZINC000728438231 1084144189 /nfs/dbraw/zinc/14/41/89/1084144189.db2.gz CHGMJWUJMHPZHU-GQCTYLIASA-N 0 1 350.773 4.488 20 30 FIEDMN O=C(/C=C/c1cnn(Cc2ccccc2Cl)c1)c1ccc(O)c(F)c1 ZINC000728438258 1084146869 /nfs/dbraw/zinc/14/68/69/1084146869.db2.gz CXGKKTSOOOXAKK-FNORWQNLSA-N 0 1 356.784 4.326 20 30 FIEDMN Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)c1ccc(O)c(F)c1 ZINC000728438462 1084171634 /nfs/dbraw/zinc/17/16/34/1084171634.db2.gz FTKLEWSMRYAELA-CSKARUKUSA-N 0 1 354.356 4.369 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)s1 ZINC000180054156 1084213042 /nfs/dbraw/zinc/21/30/42/1084213042.db2.gz IKEOHYYYIURTCD-JTQLQIEISA-N 0 1 357.426 4.475 20 30 FIEDMN Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1S(C)(=O)=O ZINC000255448806 1084225743 /nfs/dbraw/zinc/22/57/43/1084225743.db2.gz VSNQJBUMYSYWGT-UHFFFAOYSA-N 0 1 358.246 4.162 20 30 FIEDMN CC(C)(C(=O)Nc1cccc2c1CN(C1CC1)C2)c1cc(F)cc(C#N)c1 ZINC000376145490 1084235817 /nfs/dbraw/zinc/23/58/17/1084235817.db2.gz ZEWMQJLWBMCJLD-UHFFFAOYSA-N 0 1 363.436 4.092 20 30 FIEDMN CC(=O)CCc1ccc(OCC(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000177778572 1084319684 /nfs/dbraw/zinc/31/96/84/1084319684.db2.gz SQGJUUVICPHSLF-KRWDZBQOSA-N 0 1 370.474 4.043 20 30 FIEDMN N#C[C@@H](C(=O)c1ncsc1C1CC1)c1nc2ccccc2n1C(F)F ZINC000892538864 1084610404 /nfs/dbraw/zinc/61/04/04/1084610404.db2.gz PMPCLOGKRHDRJG-JTQLQIEISA-N 0 1 358.373 4.255 20 30 FIEDMN N#CC(C(=O)c1ncsc1C1CC1)c1nc2ccccc2n1C(F)F ZINC000892538864 1084610414 /nfs/dbraw/zinc/61/04/14/1084610414.db2.gz PMPCLOGKRHDRJG-JTQLQIEISA-N 0 1 358.373 4.255 20 30 FIEDMN Cn1cc(CNCc2ccccc2OC2CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180227494 1084920114 /nfs/dbraw/zinc/92/01/14/1084920114.db2.gz PLJJOJXKAITBKH-UHFFFAOYSA-N 0 1 372.472 4.180 20 30 FIEDMN C=CC[N@H+](CCCCCC(=O)[O-])Cc1cc(Br)ccc1F ZINC000582491033 1085066019 /nfs/dbraw/zinc/06/60/19/1085066019.db2.gz SGLLPGRAYVSWIJ-UHFFFAOYSA-N 0 1 358.251 4.221 20 30 FIEDMN N#C[C@]1(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)CC12CCCC2 ZINC000582527224 1085094594 /nfs/dbraw/zinc/09/45/94/1085094594.db2.gz QSOOOXPRGYGYRJ-NRFANRHFSA-N 0 1 357.417 4.037 20 30 FIEDMN COC(=O)c1cccc(CN2CCC[C@@]3(CCCc4ccccc43)C2)c1C#N ZINC001167582270 1085103635 /nfs/dbraw/zinc/10/36/35/1085103635.db2.gz NGIOZHVNFOQUFS-DEOSSOPVSA-N 0 1 374.484 4.215 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000511866581 1085210987 /nfs/dbraw/zinc/21/09/87/1085210987.db2.gz CWRVLGZUILJLRS-SECBINFHSA-N 0 1 355.644 4.358 20 30 FIEDMN Cc1ccc2nc(-c3cccnc3)cc(C(=O)C(C#N)c3ccccn3)c2c1 ZINC000136539852 1085299942 /nfs/dbraw/zinc/29/99/42/1085299942.db2.gz APAZECSSWLWRFT-LJQANCHMSA-N 0 1 364.408 4.490 20 30 FIEDMN N#CC(C(=O)Cc1ccc(F)c(F)c1)c1nc2ccccc2n1C(F)F ZINC000176726124 1085371344 /nfs/dbraw/zinc/37/13/44/1085371344.db2.gz RUJUHRQIYUNBAB-LLVKDONJSA-N 0 1 361.298 4.129 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccccc2Oc2cnn(C)c2)n1 ZINC000549540611 1085501861 /nfs/dbraw/zinc/50/18/61/1085501861.db2.gz QIGGIQGLKBWJDK-HNNXBMFYSA-N 0 1 366.446 4.282 20 30 FIEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2Oc2cnn(C)c2)n1 ZINC000549540611 1085501866 /nfs/dbraw/zinc/50/18/66/1085501866.db2.gz QIGGIQGLKBWJDK-HNNXBMFYSA-N 0 1 366.446 4.282 20 30 FIEDMN C=CC[C@@H]1CCCN(Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)C1 ZINC000661376708 1085537633 /nfs/dbraw/zinc/53/76/33/1085537633.db2.gz FWBNAKFVGUCLTB-MRXNPFEDSA-N 0 1 364.449 4.488 20 30 FIEDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)CCOc1ccccc1C#N ZINC000065604313 1085661141 /nfs/dbraw/zinc/66/11/41/1085661141.db2.gz WCXFTDQGDSUTJP-UHFFFAOYSA-N 0 1 374.488 4.180 20 30 FIEDMN C=C(C)[C@@H](NC[C@H](O)COc1cccc2[nH]ccc21)c1ccc(F)c(F)c1 ZINC000187767160 1085661426 /nfs/dbraw/zinc/66/14/26/1085661426.db2.gz FBQZOLIJQKJLPN-YCRPNKLZSA-N 0 1 372.415 4.093 20 30 FIEDMN C=CCOc1ccc(CN[C@@H](COC)c2cccc(OC)c2)cc1Cl ZINC000657611766 1085689473 /nfs/dbraw/zinc/68/94/73/1085689473.db2.gz PXGMQWJXDACNFS-IBGZPJMESA-N 0 1 361.869 4.391 20 30 FIEDMN C[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1cccc(C#N)c1 ZINC000093352896 1085691380 /nfs/dbraw/zinc/69/13/80/1085691380.db2.gz XZEYDCIHJVONPQ-JTQLQIEISA-N 0 1 355.348 4.255 20 30 FIEDMN Cc1cc(C(C#N)C(=O)c2csc(-c3cccc(Cl)c3)n2)nc(C)n1 ZINC000049406078 1086019930 /nfs/dbraw/zinc/01/99/30/1086019930.db2.gz LDEYCYLQCJKITM-AWEZNQCLSA-N 0 1 368.849 4.360 20 30 FIEDMN C=C(C)[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccc(F)c(F)c1 ZINC000187774806 1086360580 /nfs/dbraw/zinc/36/05/80/1086360580.db2.gz YFTDGHVPXDLRTO-QGZVFWFLSA-N 0 1 361.417 4.134 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2coc(Br)c2)s1 ZINC000430609201 1086366153 /nfs/dbraw/zinc/36/61/53/1086366153.db2.gz HIGKUJOVDMEWFW-VIFPVBQESA-N 0 1 353.241 4.286 20 30 FIEDMN CCc1cc(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)oc1CC ZINC000128758071 1086598558 /nfs/dbraw/zinc/59/85/58/1086598558.db2.gz NEUKCCAJHTWMSY-ZDUSSCGKSA-N 0 1 374.824 4.028 20 30 FIEDMN Cn1cc(CNCc2cc(C3CC3)ccc2F)c(-c2ccc(C#N)cc2)n1 ZINC000573175691 1087254954 /nfs/dbraw/zinc/25/49/54/1087254954.db2.gz PPIMVOOUKBANFJ-UHFFFAOYSA-N 0 1 360.436 4.265 20 30 FIEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)cc(C)c1OCc1cccnc1 ZINC000176827275 1087286322 /nfs/dbraw/zinc/28/63/22/1087286322.db2.gz CNYAYRCTNXILNJ-UHFFFAOYSA-N 0 1 373.412 4.107 20 30 FIEDMN COc1cc(CN[C@H](C)c2ccccn2)ccc1OCc1cccc(C#N)c1 ZINC000611935497 1087593177 /nfs/dbraw/zinc/59/31/77/1087593177.db2.gz UNOPATFAGZQSRD-QGZVFWFLSA-N 0 1 373.456 4.392 20 30 FIEDMN Cc1ccncc1[C@H](C)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000611939356 1087596388 /nfs/dbraw/zinc/59/63/88/1087596388.db2.gz JMXGKDJMVCUADS-HOTGVXAUSA-N 0 1 368.506 4.074 20 30 FIEDMN N#Cc1cc(NC(=O)[C@H]2CCCc3[nH]ncc32)ccc1Oc1ccccc1 ZINC000188126936 1087698424 /nfs/dbraw/zinc/69/84/24/1087698424.db2.gz UGZAHEHMCLXOOX-KRWDZBQOSA-N 0 1 358.401 4.132 20 30 FIEDMN CC[C@H](C)CCCCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000612057649 1087716477 /nfs/dbraw/zinc/71/64/77/1087716477.db2.gz XBLMSLGCSOBXHX-IBGZPJMESA-N 0 1 355.526 4.267 20 30 FIEDMN COc1ccc(CN[C@@H](C)c2cc(F)ccc2OC)cc1OCCCC#N ZINC000147172107 1087719761 /nfs/dbraw/zinc/71/97/61/1087719761.db2.gz MDZOQYOSXHTYGP-HNNXBMFYSA-N 0 1 372.440 4.376 20 30 FIEDMN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424746688 1088200577 /nfs/dbraw/zinc/20/05/77/1088200577.db2.gz LTKFEMBTAMPZKG-WMLDXEAASA-N 0 1 352.881 4.190 20 30 FIEDMN N#Cc1ccc(C2(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)cc1 ZINC000188932711 1088342554 /nfs/dbraw/zinc/34/25/54/1088342554.db2.gz GVSSEKOCQIXUIL-UHFFFAOYSA-N 0 1 352.344 4.042 20 30 FIEDMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000115553589 1088368814 /nfs/dbraw/zinc/36/88/14/1088368814.db2.gz ZSOIYHDAJFZOFS-FUHWJXTLSA-N 0 1 365.502 4.119 20 30 FIEDMN C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)Nc1ccccc1SCC#N ZINC000115553589 1088368828 /nfs/dbraw/zinc/36/88/28/1088368828.db2.gz ZSOIYHDAJFZOFS-FUHWJXTLSA-N 0 1 365.502 4.119 20 30 FIEDMN C[C@H](c1ccc(C(C)(C)C)cc1)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513976605 1088575580 /nfs/dbraw/zinc/57/55/80/1088575580.db2.gz ZUBSUPZGPKOLCJ-LNZPYGSCSA-N 0 1 373.500 4.391 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)CSCc1cccc(Cl)c1 ZINC000122254870 1088747509 /nfs/dbraw/zinc/74/75/09/1088747509.db2.gz YPCMBBMHIZFSNM-HNNXBMFYSA-N 0 1 369.877 4.336 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)[nH]c21 ZINC000505438416 1088795875 /nfs/dbraw/zinc/79/58/75/1088795875.db2.gz PEDHSHGYMPQNLL-NSHDSACASA-N 0 1 359.216 4.424 20 30 FIEDMN CC(C)[C@H]1N(Cc2ccc(C#N)cc2C(F)(F)F)CC12CCOCC2 ZINC000414523095 1088811049 /nfs/dbraw/zinc/81/10/49/1088811049.db2.gz COQPLASDHLRGIM-QGZVFWFLSA-N 0 1 352.400 4.214 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(-c3ccccc3)nc3onc(C)c32)n1 ZINC000122319555 1088988792 /nfs/dbraw/zinc/98/87/92/1088988792.db2.gz JFUQIDPAOOOKIM-OAHLLOKOSA-N 0 1 374.425 4.453 20 30 FIEDMN N#C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000183590835 1089023795 /nfs/dbraw/zinc/02/37/95/1089023795.db2.gz VONWMMPGDLFKAQ-LBPRGKRZSA-N 0 1 355.608 4.347 20 30 FIEDMN C=CCN(CCC(=O)Nc1cccc(F)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000434830173 1089055906 /nfs/dbraw/zinc/05/59/06/1089055906.db2.gz RTIISRQRUGBBLA-UHFFFAOYSA-N 0 1 371.412 4.059 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cn(-c3ccccc3)nc2C(C)C)n1 ZINC000425256570 1089160061 /nfs/dbraw/zinc/16/00/61/1089160061.db2.gz AICGAZVSPVFVGK-OAHLLOKOSA-N 0 1 350.447 4.251 20 30 FIEDMN N#CC(C(=O)c1cnn(-c2ccccc2)c1)c1nc(-c2ccccc2)cs1 ZINC000122378556 1089341529 /nfs/dbraw/zinc/34/15/29/1089341529.db2.gz QTPPHGBLGYXUJI-GOSISDBHSA-N 0 1 370.437 4.486 20 30 FIEDMN CC(=Cc1ccc(Cl)c(C(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435335563 1089540738 /nfs/dbraw/zinc/54/07/38/1089540738.db2.gz JALMXMKZCGMCNI-VMPITWQZSA-N 0 1 353.731 4.183 20 30 FIEDMN CC(=Cc1ccc(Oc2cccnc2)c(C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435337613 1089542358 /nfs/dbraw/zinc/54/23/58/1089542358.db2.gz XCQZIUHKSZWRLN-GXDHUFHOSA-N 0 1 358.401 4.006 20 30 FIEDMN CC(=Cc1ccc(-c2ccccc2Cl)o1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435338611 1089543305 /nfs/dbraw/zinc/54/33/05/1089543305.db2.gz HHSOSRZDPMEUSG-LUAWRHEFSA-N 0 1 351.793 4.424 20 30 FIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000122689986 1089917705 /nfs/dbraw/zinc/91/77/05/1089917705.db2.gz RNPKLFSMWZKBIQ-LBPRGKRZSA-N 0 1 358.228 4.299 20 30 FIEDMN CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccccc1C(C)(C)C ZINC000460821662 1089982666 /nfs/dbraw/zinc/98/26/66/1089982666.db2.gz IWEQYGCATKRIDY-UHFFFAOYSA-N 0 1 358.463 4.055 20 30 FIEDMN CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(-c3ccccn3)nc2)s1 ZINC000651352844 1090280792 /nfs/dbraw/zinc/28/07/92/1090280792.db2.gz LBZLFSKCIBFRRA-AWEZNQCLSA-N 0 1 362.458 4.388 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(-c3ccccn3)nc2)s1 ZINC000651352844 1090280799 /nfs/dbraw/zinc/28/07/99/1090280799.db2.gz LBZLFSKCIBFRRA-AWEZNQCLSA-N 0 1 362.458 4.388 20 30 FIEDMN CC(C)(C)c1ccc(-c2noc([C@@H]3C[C@@H](C(F)(F)F)CN3)n2)c(C#N)c1 ZINC001211654726 1091025441 /nfs/dbraw/zinc/02/54/41/1091025441.db2.gz VWXIHIIAMYOAKY-OCCSQVGLSA-N 0 1 364.371 4.119 20 30 FIEDMN N#CCOc1ccc(Cl)cc1CN1CCC2(CC1)OCc1ccccc12 ZINC000759784674 1091084825 /nfs/dbraw/zinc/08/48/25/1091084825.db2.gz ASDZJCLOYSUFIO-UHFFFAOYSA-N 0 1 368.864 4.264 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CNCc2cnc(CC(C)C)s2)ccc1OC ZINC000162601497 1091117817 /nfs/dbraw/zinc/11/78/17/1091117817.db2.gz VWZWLAAGOSHTCZ-INIZCTEOSA-N 0 1 373.522 4.321 20 30 FIEDMN N#CC(C(=O)c1ccc(OC(F)(F)Cl)cc1)c1nc2ccccc2o1 ZINC000193820283 1091323383 /nfs/dbraw/zinc/32/33/83/1091323383.db2.gz KRRCREJAKXVWIH-LBPRGKRZSA-N 0 1 362.719 4.486 20 30 FIEDMN N#C[C@@H](C(=O)c1ccc(OC(F)(F)Cl)cc1)c1nc2ccccc2o1 ZINC000193820283 1091323397 /nfs/dbraw/zinc/32/33/97/1091323397.db2.gz KRRCREJAKXVWIH-LBPRGKRZSA-N 0 1 362.719 4.486 20 30 FIEDMN Cc1ccc2nc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)[nH]c2c1 ZINC000431983630 1091520992 /nfs/dbraw/zinc/52/09/92/1091520992.db2.gz FBRIQKIAZJUKLQ-KRWDZBQOSA-N 0 1 361.449 4.106 20 30 FIEDMN N#Cc1ccccc1NC(=O)CCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432029856 1091555179 /nfs/dbraw/zinc/55/51/79/1091555179.db2.gz DRJAFYXXICGQQY-HXUWFJFHSA-N 0 1 369.415 4.392 20 30 FIEDMN CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000511725703 1091564591 /nfs/dbraw/zinc/56/45/91/1091564591.db2.gz CVWFAQRPAXLVQN-UHFFFAOYSA-N 0 1 371.245 4.065 20 30 FIEDMN CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000511726881 1091567323 /nfs/dbraw/zinc/56/73/23/1091567323.db2.gz LJABZOBBPWFKHU-UHFFFAOYSA-N 0 1 358.463 4.055 20 30 FIEDMN Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000124274280 1091748294 /nfs/dbraw/zinc/74/82/94/1091748294.db2.gz AKNWCEFYBFLSKN-UWJYYQICSA-N 0 1 350.462 4.275 20 30 FIEDMN N#C[C@@H]1CCC[C@H](NCc2cc(Br)ccc2Br)C1 ZINC000618578509 1092110612 /nfs/dbraw/zinc/11/06/12/1092110612.db2.gz AZOACGFSQXSYBD-MFKMUULPSA-N 0 1 372.104 4.384 20 30 FIEDMN CC(C)(COCc1ccccc1)NCc1ccc(C#N)cc1Br ZINC000500824567 1092607594 /nfs/dbraw/zinc/60/75/94/1092607594.db2.gz UJHPFCSEECEJTG-UHFFFAOYSA-N 0 1 373.294 4.406 20 30 FIEDMN C=C(C)C[N@H+](CCCOc1cccc(C#N)c1)Cc1cnn(C(C)C)c1 ZINC000512530923 1092657099 /nfs/dbraw/zinc/65/70/99/1092657099.db2.gz BSQZTYQMRXAZQG-UHFFFAOYSA-N 0 1 352.482 4.183 20 30 FIEDMN C=C(C)CN(CCCOc1cccc(C#N)c1)Cc1cnn(C(C)C)c1 ZINC000512530923 1092657101 /nfs/dbraw/zinc/65/71/01/1092657101.db2.gz BSQZTYQMRXAZQG-UHFFFAOYSA-N 0 1 352.482 4.183 20 30 FIEDMN N#CC(=C([O-])c1cn2cc(Cl)cc(Cl)c2[nH+]1)c1nc2ccccc2o1 ZINC000442553048 1092676453 /nfs/dbraw/zinc/67/64/53/1092676453.db2.gz TUAJCXFFINIBCG-JTQLQIEISA-N 0 1 371.183 4.272 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cnn(C)c3C3CC3)n2)cc1 ZINC000147164719 1092743812 /nfs/dbraw/zinc/74/38/12/1092743812.db2.gz DXNFRNINLDKBCC-OAHLLOKOSA-N 0 1 362.458 4.220 20 30 FIEDMN Cc1cc(C#N)ccc1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000439053471 1092777528 /nfs/dbraw/zinc/77/75/28/1092777528.db2.gz XGBXPYWVFHJLSH-HXUWFJFHSA-N 0 1 367.880 4.087 20 30 FIEDMN C=CCOc1ccc(CNCc2ccc(OC)cc2Br)cc1 ZINC000512557091 1092915765 /nfs/dbraw/zinc/91/57/65/1092915765.db2.gz LGILTEAXTDZJRQ-UHFFFAOYSA-N 0 1 362.267 4.312 20 30 FIEDMN Cn1cc(CN2CC[C@@](F)(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000573744435 1092968340 /nfs/dbraw/zinc/96/83/40/1092968340.db2.gz FVQIDJZGPZJLNR-QFIPXVFZSA-N 0 1 360.436 4.029 20 30 FIEDMN C=CCc1cc(CN2CCC(c3ncc(C)s3)CC2)cc(OC)c1O ZINC000432944528 1092979709 /nfs/dbraw/zinc/97/97/09/1092979709.db2.gz NISCXBLLIDUPGI-UHFFFAOYSA-N 0 1 358.507 4.274 20 30 FIEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000512620067 1092997171 /nfs/dbraw/zinc/99/71/71/1092997171.db2.gz OOUSOYAXGVEPCF-KBPBESRZSA-N 0 1 351.425 4.458 20 30 FIEDMN CCN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000614167982 1093036892 /nfs/dbraw/zinc/03/68/92/1093036892.db2.gz IVPHBGRGQZFIFN-NRFANRHFSA-N 0 1 361.489 4.115 20 30 FIEDMN COc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)cc(OC)c1OC ZINC000512643047 1093058176 /nfs/dbraw/zinc/05/81/76/1093058176.db2.gz VBRPSMMTOBQHFY-STQMWFEESA-N 0 1 358.413 4.135 20 30 FIEDMN COc1cc(F)c([C@H](C)NCc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000614179564 1093074173 /nfs/dbraw/zinc/07/41/73/1093074173.db2.gz SIQXSNASFRSSTJ-AWEZNQCLSA-N 0 1 356.441 4.495 20 30 FIEDMN C[C@@H](NCc1ccc(N2CCCCCC2)nc1)c1ccc(C#N)cc1F ZINC000512673481 1093120157 /nfs/dbraw/zinc/12/01/57/1093120157.db2.gz QXXXQTFHPAYBKJ-MRXNPFEDSA-N 0 1 352.457 4.324 20 30 FIEDMN C[C@H](N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cccc(C#N)c1 ZINC000184999510 1093207493 /nfs/dbraw/zinc/20/74/93/1093207493.db2.gz FDRWDPMRSIUPJW-SUMWQHHRSA-N 0 1 373.378 4.033 20 30 FIEDMN N#CCCN(Cc1cccnc1)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000094062237 1093288378 /nfs/dbraw/zinc/28/83/78/1093288378.db2.gz OPUREVNXWKGEGM-UHFFFAOYSA-N 0 1 365.820 4.150 20 30 FIEDMN C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000439318525 1093328019 /nfs/dbraw/zinc/32/80/19/1093328019.db2.gz PABAXONERWUGNM-VQIMIIECSA-N 0 1 358.445 4.376 20 30 FIEDMN Cc1cc([C@@H]2CCCN2Cc2cn(CCC#N)nc2-c2ccccc2)on1 ZINC000509800323 1093377946 /nfs/dbraw/zinc/37/79/46/1093377946.db2.gz YPDCYANSPVUUEK-IBGZPJMESA-N 0 1 361.449 4.097 20 30 FIEDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512812255 1093382930 /nfs/dbraw/zinc/38/29/30/1093382930.db2.gz RJTHGGGKSQSFMI-CQSZACIVSA-N 0 1 369.396 4.210 20 30 FIEDMN COc1ccc(OC)c([C@@H](C)NCc2cccc(OCCCC#N)c2)c1 ZINC000237264677 1093502718 /nfs/dbraw/zinc/50/27/18/1093502718.db2.gz ZUYLQNHSCRHAKO-MRXNPFEDSA-N 0 1 354.450 4.237 20 30 FIEDMN COc1ccc(CCN(C)Cc2ccc(Br)cc2C#N)cc1 ZINC001141814766 1093584313 /nfs/dbraw/zinc/58/43/13/1093584313.db2.gz NZFJQNLQDWEYGO-UHFFFAOYSA-N 0 1 359.267 4.004 20 30 FIEDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000513077944 1093780383 /nfs/dbraw/zinc/78/03/83/1093780383.db2.gz WEVWGZNTDNHPCR-ZBWQPJPKSA-N 0 1 367.537 4.242 20 30 FIEDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2cccc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000513077936 1093781151 /nfs/dbraw/zinc/78/11/51/1093781151.db2.gz WEVWGZNTDNHPCR-BVKOHWRASA-N 0 1 367.537 4.242 20 30 FIEDMN C=C(CC)CSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000473517540 1093910638 /nfs/dbraw/zinc/91/06/38/1093910638.db2.gz AYBPVANZADHLAI-UHFFFAOYSA-N 0 1 354.273 4.301 20 30 FIEDMN C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000513237234 1094031559 /nfs/dbraw/zinc/03/15/59/1094031559.db2.gz WOKKFFQCMBNKRH-KUHUBIRLSA-N 0 1 353.853 4.233 20 30 FIEDMN C[C@@H](NCc1ccc(C#N)cc1Br)c1ccc2n[nH]cc2c1 ZINC000513412314 1094112668 /nfs/dbraw/zinc/11/26/68/1094112668.db2.gz XTMXKURIOFYATP-LLVKDONJSA-N 0 1 355.239 4.048 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000182513874 1094137859 /nfs/dbraw/zinc/13/78/59/1094137859.db2.gz MMKSDLJKOSDYPD-LBPRGKRZSA-N 0 1 350.340 4.316 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1 ZINC000501532737 1094761924 /nfs/dbraw/zinc/76/19/24/1094761924.db2.gz PECUHQDYLWSQPQ-INIZCTEOSA-N 0 1 371.550 4.289 20 30 FIEDMN [O-]C(=[NH+]CC1(Cc2ccccc2)CCCC1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000329271241 1094811376 /nfs/dbraw/zinc/81/13/76/1094811376.db2.gz HXODBUZBUHPGEK-LJQANCHMSA-N 0 1 366.509 4.306 20 30 FIEDMN COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000329300895 1094828946 /nfs/dbraw/zinc/82/89/46/1094828946.db2.gz VXVAYXLADBRHJL-BMGDILEWSA-N 0 1 368.481 4.183 20 30 FIEDMN Cc1cc([C@H]2CCCN(C(=O)N[C@H]3CCCc4ccc(C)cc43)C2)n[nH]1 ZINC000329319733 1094839079 /nfs/dbraw/zinc/83/90/79/1094839079.db2.gz TXECSTCXPOEDCS-HKUYNNGSSA-N 0 1 352.482 4.198 20 30 FIEDMN O=C(NCc1ccccc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329419370 1094895177 /nfs/dbraw/zinc/89/51/77/1094895177.db2.gz DYGFFZAXNHWELV-GOSISDBHSA-N 0 1 367.497 4.146 20 30 FIEDMN C[C@H]1CCN(C(=O)Nc2nc3c(s2)CCCC3(C)C)C[C@@H]1n1ccnc1 ZINC000329562227 1094974834 /nfs/dbraw/zinc/97/48/34/1094974834.db2.gz JMIWKJNEUOSOPH-KBPBESRZSA-N 0 1 373.526 4.082 20 30 FIEDMN C=CC[C@@H]1N(C(=O)c2ccc(CN3CCSCC3)cc2)CCCC1(C)C ZINC000443870571 1095150254 /nfs/dbraw/zinc/15/02/54/1095150254.db2.gz TYOLOHLRCIBUTQ-FQEVSTJZSA-N 0 1 372.578 4.442 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NC[C@H]3CCCCS3)[nH]c2c1 ZINC000329725347 1095221592 /nfs/dbraw/zinc/22/15/92/1095221592.db2.gz DLCGOPUFRBUBAL-PBHICJAKSA-N 0 1 358.511 4.208 20 30 FIEDMN C[C@H](NC(=O)CN1CCC(c2ncc[nH]2)CC1)c1ccc2c(c1)CCCC2 ZINC000329750001 1095249088 /nfs/dbraw/zinc/24/90/88/1095249088.db2.gz HVQZWZDTOYDVQZ-INIZCTEOSA-N 0 1 366.509 4.186 20 30 FIEDMN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@@H]1CCCc2[nH]ncc21 ZINC000329818942 1095275813 /nfs/dbraw/zinc/27/58/13/1095275813.db2.gz FZCKHLKWYGWYBK-AMIZOPFISA-N 0 1 352.221 4.227 20 30 FIEDMN Cc1cccc(NC(=O)CN2CCCC[C@H]2c2n[nH]c(C(C)C)n2)c1C ZINC000329845808 1095291105 /nfs/dbraw/zinc/29/11/05/1095291105.db2.gz ORTRNJKDJSBWJZ-KRWDZBQOSA-N 0 1 355.486 4.360 20 30 FIEDMN CC(C)c1ccc2c(c1)[C@H](NC(=O)NC[C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000329908414 1095311715 /nfs/dbraw/zinc/31/17/15/1095311715.db2.gz LQQZJGLZASRKQR-OXQOHEQNSA-N 0 1 366.509 4.150 20 30 FIEDMN Cn1cc(C2CCN(C([O-])=[NH+][C@@H]3CCC[C@H](c4ccccc4)C3)CC2)cn1 ZINC000329979235 1095336202 /nfs/dbraw/zinc/33/62/02/1095336202.db2.gz JDGBSOHCQROCHO-PZJWPPBQSA-N 0 1 366.509 4.240 20 30 FIEDMN CC1(CCNC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)CC1 ZINC000329993344 1095341822 /nfs/dbraw/zinc/34/18/22/1095341822.db2.gz YIJOEYJQCGILQT-INIZCTEOSA-N 0 1 359.518 4.136 20 30 FIEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N[C@H]1CCCc3ccc(F)cc31)CC2 ZINC000329997832 1095344006 /nfs/dbraw/zinc/34/40/06/1095344006.db2.gz RFSRCLMUVIYIAL-MJGOQNOKSA-N 0 1 370.472 4.042 20 30 FIEDMN CC(C)n1ncc2c1C[C@H](NC(=O)N[C@H]1CCCc3ccc(F)cc31)CC2 ZINC000329997832 1095344016 /nfs/dbraw/zinc/34/40/16/1095344016.db2.gz RFSRCLMUVIYIAL-MJGOQNOKSA-N 0 1 370.472 4.042 20 30 FIEDMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)C1C2CC3CC(C2)CC1C3 ZINC000330021474 1095354350 /nfs/dbraw/zinc/35/43/50/1095354350.db2.gz XWUVSRSXLMGSDX-ZOAQYOGUSA-N 0 1 350.466 4.117 20 30 FIEDMN Cc1ccccc1[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000330034947 1095358395 /nfs/dbraw/zinc/35/83/95/1095358395.db2.gz BLJYVNLLKRWQGI-QUCCMNQESA-N 0 1 366.509 4.381 20 30 FIEDMN C=CCC1(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)CCC1 ZINC000330056441 1095364518 /nfs/dbraw/zinc/36/45/18/1095364518.db2.gz VWGUTVCRBFFHMM-QGZVFWFLSA-N 0 1 356.514 4.305 20 30 FIEDMN CC(C)(C)Cc1nc2cc(NC(=O)N[C@@H]3CCCc4cn[nH]c43)ccc2o1 ZINC000330143564 1095391775 /nfs/dbraw/zinc/39/17/75/1095391775.db2.gz ZAERQNPTIJCIGX-CQSZACIVSA-N 0 1 367.453 4.352 20 30 FIEDMN O=C(NCC1(c2c(F)cccc2F)CCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330136777 1095391810 /nfs/dbraw/zinc/39/18/10/1095391810.db2.gz NMDYIKGALRVNNM-MRXNPFEDSA-N 0 1 374.435 4.081 20 30 FIEDMN CC(C)c1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c2cnn(C(C)C)c2n1 ZINC000330143523 1095393286 /nfs/dbraw/zinc/39/32/86/1095393286.db2.gz YXPLZKBWXGOOJC-MRXNPFEDSA-N 0 1 366.469 4.241 20 30 FIEDMN CC(C)c1ccc([C@@H]2CCCCN2C([O-])=[NH+][C@@H]2CCn3ccnc3C2)cc1 ZINC000330279076 1095446752 /nfs/dbraw/zinc/44/67/52/1095446752.db2.gz QMEGYZZAGWHXJF-UXHICEINSA-N 0 1 366.509 4.463 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H]3CCC[C@@H]32)c1C#N ZINC000444182313 1095817940 /nfs/dbraw/zinc/81/79/40/1095817940.db2.gz KXXMZWHWZPSMOE-PXNSSMCTSA-N 0 1 368.525 4.295 20 30 FIEDMN CCCN(Cc1cc(F)ccc1C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502954707 1095978378 /nfs/dbraw/zinc/97/83/78/1095978378.db2.gz GRGPKEBPSPCJRV-MRXNPFEDSA-N 0 1 353.441 4.327 20 30 FIEDMN Cc1cc(F)cc2c1CN(Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000503084709 1096057740 /nfs/dbraw/zinc/05/77/40/1096057740.db2.gz MJZDGLGRYCJJSW-UHFFFAOYSA-N 0 1 374.463 4.470 20 30 FIEDMN Clc1cccc(C#CCN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000503170776 1096105300 /nfs/dbraw/zinc/10/53/00/1096105300.db2.gz RHKJAMUDPPRZEB-LJQANCHMSA-N 0 1 362.864 4.314 20 30 FIEDMN Clc1cccc(C#CCN2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000503170776 1096105306 /nfs/dbraw/zinc/10/53/06/1096105306.db2.gz RHKJAMUDPPRZEB-LJQANCHMSA-N 0 1 362.864 4.314 20 30 FIEDMN Clc1ccc(C#CCN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000503166415 1096113151 /nfs/dbraw/zinc/11/31/51/1096113151.db2.gz IBDXLIKAXLCJSV-LJQANCHMSA-N 0 1 362.864 4.314 20 30 FIEDMN Clc1ccc(C#CCN2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000503166415 1096113158 /nfs/dbraw/zinc/11/31/58/1096113158.db2.gz IBDXLIKAXLCJSV-LJQANCHMSA-N 0 1 362.864 4.314 20 30 FIEDMN CC(C)(C#N)CC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000503629962 1096501426 /nfs/dbraw/zinc/50/14/26/1096501426.db2.gz CZDKEKXNUJNVTI-UHFFFAOYSA-N 0 1 360.286 4.095 20 30 FIEDMN N#CC(C(=O)Nc1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000505761203 1098745807 /nfs/dbraw/zinc/74/58/07/1098745807.db2.gz DSXDDCCJTFXHTB-JTQLQIEISA-N 0 1 350.428 4.152 20 30 FIEDMN Cc1oc(C#N)cc1C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000436124193 1098749225 /nfs/dbraw/zinc/74/92/25/1098749225.db2.gz AGSQQUAPWNQBOA-UHFFFAOYSA-N 0 1 369.384 4.164 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1ccc(OCC)cc1 ZINC000533224795 1098890811 /nfs/dbraw/zinc/89/08/11/1098890811.db2.gz REVRDAMAXJCFRU-QGZVFWFLSA-N 0 1 372.534 4.182 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)C3(c4cccc(C#N)c4)CC3)[nH]c2c1 ZINC000533256456 1098917298 /nfs/dbraw/zinc/91/72/98/1098917298.db2.gz YYEQOMYQJIIRMZ-HXUWFJFHSA-N 0 1 370.456 4.138 20 30 FIEDMN N#CCCn1cc(C(=O)CN2CC[C@@H](Cc3ccccc3)C2)c2ccccc21 ZINC000533292048 1098941382 /nfs/dbraw/zinc/94/13/82/1098941382.db2.gz QLMMJVOZIKYQIW-FQEVSTJZSA-N 0 1 371.484 4.302 20 30 FIEDMN C[C@@H](C#N)N(Cc1n[nH]c(C(C)(C)C)n1)Cc1cccc(C(F)(F)F)c1 ZINC000425529350 1098979668 /nfs/dbraw/zinc/97/96/68/1098979668.db2.gz BFUPKSJQIPMHBE-LBPRGKRZSA-N 0 1 365.403 4.035 20 30 FIEDMN N#Cc1ccccc1CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000533504184 1099110946 /nfs/dbraw/zinc/11/09/46/1099110946.db2.gz DUPJWVPDVVDICP-GOSISDBHSA-N 0 1 362.408 4.127 20 30 FIEDMN N#Cc1cc(NC(=O)c2ccc(Cl)cc2O)ccc1OCC(F)(F)F ZINC000436786659 1099320088 /nfs/dbraw/zinc/32/00/88/1099320088.db2.gz KDUDUJBALBNEFG-UHFFFAOYSA-N 0 1 370.714 4.111 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2csc3ccccc23)n1 ZINC000516350081 1099400750 /nfs/dbraw/zinc/40/07/50/1099400750.db2.gz DHCKDVRIDHTGFS-NSHDSACASA-N 0 1 356.428 4.025 20 30 FIEDMN N#CCCN(C(=O)CN(Cc1ccccc1)CC1CCC1)c1ccccc1 ZINC000516745848 1099780139 /nfs/dbraw/zinc/78/01/39/1099780139.db2.gz UXJMYGRXFHHHHC-UHFFFAOYSA-N 0 1 361.489 4.236 20 30 FIEDMN COCCN(Cc1ccc(C#N)cc1OC(F)F)[C@H](C)c1ccccc1 ZINC000437442048 1099914919 /nfs/dbraw/zinc/91/49/19/1099914919.db2.gz ZNGIFGVRJFWGHD-OAHLLOKOSA-N 0 1 360.404 4.369 20 30 FIEDMN CC(C)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nc1 ZINC000516942035 1099936310 /nfs/dbraw/zinc/93/63/10/1099936310.db2.gz WONKVMKGYVQTQQ-ZDUSSCGKSA-N 0 1 354.360 4.440 20 30 FIEDMN CC(C)c1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)nc1 ZINC000516942035 1099936314 /nfs/dbraw/zinc/93/63/14/1099936314.db2.gz WONKVMKGYVQTQQ-ZDUSSCGKSA-N 0 1 354.360 4.440 20 30 FIEDMN Cc1cc(-c2ncccc2NS(=O)(=O)c2cc(C#N)ccc2C)cs1 ZINC000437677224 1100092069 /nfs/dbraw/zinc/09/20/69/1100092069.db2.gz CMNUYRVTNRPTOR-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN C=CCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536677182 1100168846 /nfs/dbraw/zinc/16/88/46/1100168846.db2.gz YFIDCFKYNAMPEN-TWOQFEAHSA-N 0 1 363.465 4.128 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccccc2SC(C)C)n1 ZINC000517278191 1100243124 /nfs/dbraw/zinc/24/31/24/1100243124.db2.gz VLDFZIXXQFROSB-CYBMUJFWSA-N 0 1 374.487 4.310 20 30 FIEDMN CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2SC(C)C)n1 ZINC000517278191 1100243140 /nfs/dbraw/zinc/24/31/40/1100243140.db2.gz VLDFZIXXQFROSB-CYBMUJFWSA-N 0 1 374.487 4.310 20 30 FIEDMN COc1ccc([C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000536872771 1100391735 /nfs/dbraw/zinc/39/17/35/1100391735.db2.gz XDKYMBIVZRWXHW-CQSZACIVSA-N 0 1 363.379 4.425 20 30 FIEDMN N#Cc1ccccc1-c1ccc(CN[C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000517595681 1100528232 /nfs/dbraw/zinc/52/82/32/1100528232.db2.gz AODOCXNFISCQRQ-HXUWFJFHSA-N 0 1 371.469 4.284 20 30 FIEDMN CN(Cc1cccc(C#N)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438468952 1100681765 /nfs/dbraw/zinc/68/17/65/1100681765.db2.gz FGZPKEXNGRLFLB-KRWDZBQOSA-N 0 1 357.251 4.276 20 30 FIEDMN COc1cnccc1[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000438477775 1100691607 /nfs/dbraw/zinc/69/16/07/1100691607.db2.gz MKNYEYMIWDVMBR-KRWDZBQOSA-N 0 1 373.456 4.392 20 30 FIEDMN CCC1(CC)CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000438501824 1100700619 /nfs/dbraw/zinc/70/06/19/1100700619.db2.gz NEHHZXADMULELV-MRXNPFEDSA-N 0 1 359.539 4.389 20 30 FIEDMN CCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000509572646 1100968118 /nfs/dbraw/zinc/96/81/18/1100968118.db2.gz CGFCKDAWEMLIPS-MRXNPFEDSA-N 0 1 358.445 4.480 20 30 FIEDMN COc1ccc(-c2n[nH]c(SCc3ccc(C#N)cc3Cl)n2)cc1 ZINC000438890238 1101003901 /nfs/dbraw/zinc/00/39/01/1101003901.db2.gz LKEQYISGSAMNPR-UHFFFAOYSA-N 0 1 356.838 4.298 20 30 FIEDMN C[C@@H](NCc1cccc(C#N)c1F)c1ccc(OCC(F)(F)F)cc1 ZINC000537061393 1101432666 /nfs/dbraw/zinc/43/26/66/1101432666.db2.gz KTFJLDKVFJCDHZ-GFCCVEGCSA-N 0 1 352.331 4.489 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN2CCC(OC3CCCC3)CC2)cc1 ZINC000177087713 1101483680 /nfs/dbraw/zinc/48/36/80/1101483680.db2.gz RHMMPXAHYVPRCQ-UHFFFAOYSA-N 0 1 351.412 4.481 20 30 FIEDMN COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(C#N)cc1Br ZINC000475743963 1101562275 /nfs/dbraw/zinc/56/22/75/1101562275.db2.gz NOXFPWCRGMUFPE-GOSISDBHSA-N 0 1 373.294 4.010 20 30 FIEDMN CCCN(C(=O)c1cscc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000460087109 1101589730 /nfs/dbraw/zinc/58/97/30/1101589730.db2.gz ZHZWAZBHORAQDW-IBGZPJMESA-N 0 1 367.518 4.137 20 30 FIEDMN COc1cc(CCC2CCN(Cc3ccc(C#N)o3)CC2)cc(OC)c1 ZINC000506631353 1101604376 /nfs/dbraw/zinc/60/43/76/1101604376.db2.gz HPRPYYCGNAEWEN-UHFFFAOYSA-N 0 1 354.450 4.013 20 30 FIEDMN C[C@H](Cc1ccc(Cl)cc1)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001168160888 1101712381 /nfs/dbraw/zinc/71/23/81/1101712381.db2.gz ZTSVKXGREWUBQI-GOSISDBHSA-N 0 1 367.924 4.419 20 30 FIEDMN Cc1cccc2c1OCC[C@H]2NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000188882695 1101846478 /nfs/dbraw/zinc/84/64/78/1101846478.db2.gz BLSBJMJQQYLMRN-OAQYLSRUSA-N 0 1 372.472 4.386 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000127541627 1101909101 /nfs/dbraw/zinc/90/91/01/1101909101.db2.gz MQCLJQRNZIJTOF-OLZOCXBDSA-N 0 1 361.367 4.255 20 30 FIEDMN N#Cc1ccc(C2CCN(Cc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000897588738 1101912344 /nfs/dbraw/zinc/91/23/44/1101912344.db2.gz LZYDLTOZBDYYPD-IBGZPJMESA-N 0 1 353.491 4.246 20 30 FIEDMN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccncn1 ZINC000760342958 1101927219 /nfs/dbraw/zinc/92/72/19/1101927219.db2.gz AQBDIZXVRZFFBZ-HKBOAZHASA-N 0 1 369.424 4.036 20 30 FIEDMN N#Cc1ccc2c(c1)CCN(Cc1c[nH]c3cc(Br)ccc13)C2 ZINC001142391823 1102100011 /nfs/dbraw/zinc/10/00/11/1102100011.db2.gz RACKDOCGSHGQKI-UHFFFAOYSA-N 0 1 366.262 4.360 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000550080395 1102406932 /nfs/dbraw/zinc/40/69/32/1102406932.db2.gz ZDELUTFTUAEYDM-RYRKJORJSA-N 0 1 371.550 4.387 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)c2ccccc2NC(=O)c2ccsc2)n1 ZINC000048787664 1102437436 /nfs/dbraw/zinc/43/74/36/1102437436.db2.gz YGYIEZYYKBJTEZ-AWEZNQCLSA-N 0 1 367.455 4.255 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2NC(=O)c2ccsc2)n1 ZINC000048787664 1102437441 /nfs/dbraw/zinc/43/74/41/1102437441.db2.gz YGYIEZYYKBJTEZ-AWEZNQCLSA-N 0 1 367.455 4.255 20 30 FIEDMN C=CCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2c(F)cccc2F)cc1Cl ZINC000426757435 1102972151 /nfs/dbraw/zinc/97/21/51/1102972151.db2.gz OULMJMYCKICMOQ-KRWDZBQOSA-N 0 1 367.779 4.099 20 30 FIEDMN N#Cc1ccc(NN=Cc2sc(N3CCCC3)nc2Cl)cc1Cl ZINC000783878253 1103005694 /nfs/dbraw/zinc/00/56/94/1103005694.db2.gz SYFUBFKTTGNRRW-UHFFFAOYSA-N 0 1 366.277 4.368 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]2CCCC[C@H]2C1 ZINC000426815506 1103009350 /nfs/dbraw/zinc/00/93/50/1103009350.db2.gz FWDXWDJFXOLABO-IKGGRYGDSA-N 0 1 357.523 4.141 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cc(C)cc(OC)c2)no1 ZINC001211975365 1103129618 /nfs/dbraw/zinc/12/96/18/1103129618.db2.gz FJASXTCAVBBVKC-HKUYNNGSSA-N 0 1 373.497 4.132 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cc(C)cc(F)c2)no1 ZINC001211976052 1103130583 /nfs/dbraw/zinc/13/05/83/1103130583.db2.gz XXWXXPSDUJLNIB-MSOLQXFVSA-N 0 1 361.461 4.262 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cc(F)ccc2F)no1 ZINC001211975933 1103138066 /nfs/dbraw/zinc/13/80/66/1103138066.db2.gz UTWFMSNMXCPOSV-PBHICJAKSA-N 0 1 365.424 4.093 20 30 FIEDMN COc1cccc(NC2CCN(CC#Cc3ccc(Cl)cc3)CC2)c1 ZINC000427021324 1103191420 /nfs/dbraw/zinc/19/14/20/1103191420.db2.gz IRUQVJOBYQGGJJ-UHFFFAOYSA-N 0 1 354.881 4.277 20 30 FIEDMN Cc1ccc2nc(SCC(=O)Nc3ccccc3SCC#N)[nH]c2c1 ZINC000005357448 1103758371 /nfs/dbraw/zinc/75/83/71/1103758371.db2.gz RKTBNPOALGIWAJ-UHFFFAOYSA-N 0 1 368.487 4.218 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](c2ccccc2Cl)C(C)C)c(C#N)c1C ZINC000538187026 1104021773 /nfs/dbraw/zinc/02/17/73/1104021773.db2.gz CVPMQUNENPDIFB-SFHVURJKSA-N 0 1 359.857 4.347 20 30 FIEDMN C=CCCOCCCCC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000538300339 1104121104 /nfs/dbraw/zinc/12/11/04/1104121104.db2.gz ASOVXBAAMGQYMK-LJQANCHMSA-N 0 1 355.482 4.298 20 30 FIEDMN C[C@@H](N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)C(=O)N(C)CCC#N ZINC000112532711 1104367615 /nfs/dbraw/zinc/36/76/15/1104367615.db2.gz UOQBLRLLZSDGDF-JKSUJKDBSA-N 0 1 369.440 4.029 20 30 FIEDMN COc1ccc(-c2csc(NC(=O)C34CCCN3CCC4)n2)cc1F ZINC000328824299 1104564747 /nfs/dbraw/zinc/56/47/47/1104564747.db2.gz IQQJMKYVYWNZKM-UHFFFAOYSA-N 0 1 361.442 4.174 20 30 FIEDMN C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@H](C2CCOCC2)C1 ZINC000328868561 1104584116 /nfs/dbraw/zinc/58/41/16/1104584116.db2.gz XLTWPVFLURQNQX-HIFRSBDPSA-N 0 1 359.495 4.021 20 30 FIEDMN C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328868562 1104584402 /nfs/dbraw/zinc/58/44/02/1104584402.db2.gz XLTWPVFLURQNQX-UKRRQHHQSA-N 0 1 359.495 4.021 20 30 FIEDMN COc1cc(OC)c(NC(=O)CN2CCC[C@H]2C2CCC2)cc1Cl ZINC000328910739 1104598958 /nfs/dbraw/zinc/59/89/58/1104598958.db2.gz FVHMETKIVGLDKZ-HNNXBMFYSA-N 0 1 352.862 4.210 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](CC2CC2)C1 ZINC000550409737 1104787656 /nfs/dbraw/zinc/78/76/56/1104787656.db2.gz XJEWZFRIGATMOU-RDJZCZTQSA-N 0 1 357.523 4.141 20 30 FIEDMN N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000459022311 1104864419 /nfs/dbraw/zinc/86/44/19/1104864419.db2.gz XTBKPBIHXIFORY-JDFRZJQESA-N 0 1 371.872 4.145 20 30 FIEDMN CCN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000487399398 1105151637 /nfs/dbraw/zinc/15/16/37/1105151637.db2.gz MIUTVMIWSKIBAR-NRFANRHFSA-N 0 1 361.489 4.115 20 30 FIEDMN CC(C)(C#N)c1ccc(CN2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000665168270 1105161882 /nfs/dbraw/zinc/16/18/82/1105161882.db2.gz OUYLGGALRKQANU-HSZRJFAPSA-N 0 1 360.457 4.098 20 30 FIEDMN COc1cc(Br)ccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000427844597 1105292795 /nfs/dbraw/zinc/29/27/95/1105292795.db2.gz OGVYJNITWIFIEN-LLVKDONJSA-N 0 1 363.230 4.319 20 30 FIEDMN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000508069037 1105313255 /nfs/dbraw/zinc/31/32/55/1105313255.db2.gz PKJOHGBVOOZPAW-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000450996016 1106861928 /nfs/dbraw/zinc/86/19/28/1106861928.db2.gz UNRFEEUBJSMIDA-UHFFFAOYSA-N 0 1 362.882 4.332 20 30 FIEDMN CCOc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1F ZINC000475424120 1106867555 /nfs/dbraw/zinc/86/75/55/1106867555.db2.gz REDSWFCBCGFCJY-UHFFFAOYSA-N 0 1 354.425 4.139 20 30 FIEDMN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000451150790 1106948910 /nfs/dbraw/zinc/94/89/10/1106948910.db2.gz XPPXYPXYDLJGTO-ZOWXZIJZSA-N 0 1 364.371 4.160 20 30 FIEDMN C=C[C@@H]1OCC[C@H]1NCc1csc(-c2ccc(Br)cc2)n1 ZINC000451604672 1107197872 /nfs/dbraw/zinc/19/78/72/1107197872.db2.gz HVAGGFFYBVNQRN-CABCVRRESA-N 0 1 365.296 4.006 20 30 FIEDMN C=CCC1(C(=O)Nc2cccc(NC(=O)CN(CC)CC)c2)CCCC1 ZINC000451774067 1107307393 /nfs/dbraw/zinc/30/73/93/1107307393.db2.gz DJFGLAJNSZTMLD-UHFFFAOYSA-N 0 1 357.498 4.042 20 30 FIEDMN CCc1ccc(CN2CCN(c3cc(C#N)c4ccccc4n3)CC2)s1 ZINC000609965279 1107808146 /nfs/dbraw/zinc/80/81/46/1107808146.db2.gz VKTJFVBNYCEENE-UHFFFAOYSA-N 0 1 362.502 4.053 20 30 FIEDMN N#Cc1ccc(N2CCN(Cc3ccc(-c4cccs4)cc3)CC2)nc1 ZINC000444589769 1107999961 /nfs/dbraw/zinc/99/99/61/1107999961.db2.gz CFNRQYMZQRMJAS-UHFFFAOYSA-N 0 1 360.486 4.004 20 30 FIEDMN CC(C)(C#N)CCCCN1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000444660108 1108055389 /nfs/dbraw/zinc/05/53/89/1108055389.db2.gz RJLDREMWGRIETG-LJQANCHMSA-N 0 1 369.509 4.135 20 30 FIEDMN N#Cc1cccc(N2CCN(Cc3ccc(-c4ccsc4)cc3)CC2)n1 ZINC000444689773 1108091880 /nfs/dbraw/zinc/09/18/80/1108091880.db2.gz PDQFLVVLNPRWDF-UHFFFAOYSA-N 0 1 360.486 4.004 20 30 FIEDMN COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(Br)s1 ZINC000444763179 1108159181 /nfs/dbraw/zinc/15/91/81/1108159181.db2.gz CEQHDRWERFHNQZ-JTQLQIEISA-N 0 1 351.269 4.242 20 30 FIEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000444860863 1108239802 /nfs/dbraw/zinc/23/98/02/1108239802.db2.gz OUJUBLMAXCSIJC-UHFFFAOYSA-N 0 1 353.470 4.172 20 30 FIEDMN CSc1ccccc1[C@H](C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000440637853 1108390750 /nfs/dbraw/zinc/39/07/50/1108390750.db2.gz OVXQNQYIMUZOCX-LBPRGKRZSA-N 0 1 359.882 4.223 20 30 FIEDMN N#Cc1ccccc1-c1ccc(CNCc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440636066 1108399870 /nfs/dbraw/zinc/39/98/70/1108399870.db2.gz JTHGXOFOBUWKGB-UHFFFAOYSA-N 0 1 356.351 4.257 20 30 FIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Br)cc3)[nH]c21 ZINC000524034180 1108765587 /nfs/dbraw/zinc/76/55/87/1108765587.db2.gz MXGITNIKJUFQFD-CYBMUJFWSA-N 0 1 354.207 4.124 20 30 FIEDMN COc1cc(CN[C@H](Cc2ccc(C)cc2)c2ccccn2)ccc1C#N ZINC000440803034 1108864704 /nfs/dbraw/zinc/86/47/04/1108864704.db2.gz BMFGYQVIUKOBJM-JOCHJYFZSA-N 0 1 357.457 4.344 20 30 FIEDMN N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000016129074 1108910863 /nfs/dbraw/zinc/91/08/63/1108910863.db2.gz PKPSPAVNMDZRBH-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN N#Cc1cccnc1OC1CCC(Nc2ccnc3cc(F)ccc32)CC1 ZINC000445660254 1108939374 /nfs/dbraw/zinc/93/93/74/1108939374.db2.gz NYSCCZPSMJNTOM-UHFFFAOYSA-N 0 1 362.408 4.443 20 30 FIEDMN COc1cc(C#N)ccc1OCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000524619843 1109100089 /nfs/dbraw/zinc/10/00/89/1109100089.db2.gz LAYNNHLBTBSJFZ-HNAYVOBHSA-N 0 1 366.461 4.327 20 30 FIEDMN N#Cc1ccc(N2CCN(Cc3cccc4[nH]ccc43)CC2)c(Cl)c1 ZINC000446910956 1109387576 /nfs/dbraw/zinc/38/75/76/1109387576.db2.gz OMFOYKOWVTXDIN-UHFFFAOYSA-N 0 1 350.853 4.015 20 30 FIEDMN CC[C@@H](NCC(=O)Nc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000447598081 1109592535 /nfs/dbraw/zinc/59/25/35/1109592535.db2.gz HJYUTMBPVUYXQF-QGZVFWFLSA-N 0 1 372.266 4.000 20 30 FIEDMN CCN([C@H](C)c1ccc(C#N)cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447855816 1109660278 /nfs/dbraw/zinc/66/02/78/1109660278.db2.gz VBZPTSGMGFPEQW-VGSWGCGISA-N 0 1 372.472 4.008 20 30 FIEDMN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000527996439 1109880873 /nfs/dbraw/zinc/88/08/73/1109880873.db2.gz DAMPEZGRKTWSSR-IFXJQAMLSA-N 0 1 356.853 4.032 20 30 FIEDMN C#CC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000783634734 1109907218 /nfs/dbraw/zinc/90/72/18/1109907218.db2.gz CHYJPJKWINAURY-JTQLQIEISA-N 0 1 363.179 4.077 20 30 FIEDMN CCn1cc([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000449670896 1110141758 /nfs/dbraw/zinc/14/17/58/1110141758.db2.gz QNTMVISACRALJN-KRWDZBQOSA-N 0 1 360.461 4.204 20 30 FIEDMN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCCC12CC2 ZINC000528918519 1110151460 /nfs/dbraw/zinc/15/14/60/1110151460.db2.gz JYWCTHLABCQHJL-UONOGXRCSA-N 0 1 351.233 4.221 20 30 FIEDMN C[C@H](NCCSCc1ccccc1C#N)c1nc2c(s1)CCCC2 ZINC000539074200 1111420909 /nfs/dbraw/zinc/42/09/09/1111420909.db2.gz JNBPCEGCVZJKLA-AWEZNQCLSA-N 0 1 357.548 4.478 20 30 FIEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000539252489 1111487412 /nfs/dbraw/zinc/48/74/12/1111487412.db2.gz KSFPJTJBSCNGIS-ROUUACIJSA-N 0 1 365.477 4.138 20 30 FIEDMN C[C@H](NC(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CC1 ZINC000478237366 1111727307 /nfs/dbraw/zinc/72/73/07/1111727307.db2.gz YZAISKMBYXCFPI-JRQNMHTQSA-N 0 1 369.534 4.133 20 30 FIEDMN C=CCOc1ccc(CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000479133963 1111951806 /nfs/dbraw/zinc/95/18/06/1111951806.db2.gz SNEDRDNIRPKPDX-UHFFFAOYSA-N 0 1 372.375 4.387 20 30 FIEDMN C[C@@H](CC1CCCCC1)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000479284510 1111981948 /nfs/dbraw/zinc/98/19/48/1111981948.db2.gz SNZDPEXRSLCLGT-IBGZPJMESA-N 0 1 367.537 4.267 20 30 FIEDMN CCOc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1Cl ZINC000479496250 1112046550 /nfs/dbraw/zinc/04/65/50/1112046550.db2.gz AZTWMVMFLCXLGK-UHFFFAOYSA-N 0 1 371.245 4.065 20 30 FIEDMN C=CCC1(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CCC1 ZINC000480435380 1112425083 /nfs/dbraw/zinc/42/50/83/1112425083.db2.gz KBHYXYMBFAJIAV-MRXNPFEDSA-N 0 1 354.416 4.171 20 30 FIEDMN C=C(C)[C@@H](N[C@H](C)CC(=O)NCCc1ccccc1)c1ccc(F)c(F)c1 ZINC000480689624 1112547203 /nfs/dbraw/zinc/54/72/03/1112547203.db2.gz NMJRGIGSZJHUMJ-OPAMFIHVSA-N 0 1 372.459 4.309 20 30 FIEDMN CC[C@H](C)n1nc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1C ZINC000480940044 1112688566 /nfs/dbraw/zinc/68/85/66/1112688566.db2.gz JJIPVOXLELARMJ-AAEUAGOBSA-N 0 1 371.391 4.397 20 30 FIEDMN CO[C@@H](CC(C)C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000842295425 1112854771 /nfs/dbraw/zinc/85/47/71/1112854771.db2.gz GEYOLRYUHAUEMM-ABAIWWIYSA-N 0 1 364.417 4.326 20 30 FIEDMN CC(C)=CCC[C@H](C)CCN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000482175108 1113192870 /nfs/dbraw/zinc/19/28/70/1113192870.db2.gz YURMJPOIBVBLOO-SPEDKVCISA-N 0 1 351.494 4.104 20 30 FIEDMN CCN(CC)[C@H](CNC(=O)c1cccc(CC#N)c1)c1ccccc1Cl ZINC000042378257 1113242693 /nfs/dbraw/zinc/24/26/93/1113242693.db2.gz ZIWSZIYNPFBAGX-HXUWFJFHSA-N 0 1 369.896 4.219 20 30 FIEDMN Cc1cc(C#N)ccc1C(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000159854063 1113245268 /nfs/dbraw/zinc/24/52/68/1113245268.db2.gz XIZQSUCNSVEQTK-UHFFFAOYSA-N 0 1 353.385 4.057 20 30 FIEDMN CC(C)N(CC#Cc1ccc(C(F)(F)F)cc1)CCc1nccs1 ZINC000159938071 1113273103 /nfs/dbraw/zinc/27/31/03/1113273103.db2.gz XCHNMYZBEMEFGW-UHFFFAOYSA-N 0 1 352.425 4.467 20 30 FIEDMN CCOc1nc(C)ccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000482572430 1113300716 /nfs/dbraw/zinc/30/07/16/1113300716.db2.gz DPFMYKFTNGHJRT-ZDUSSCGKSA-N 0 1 370.359 4.024 20 30 FIEDMN N#CC(C(=O)c1ccc(Oc2ccccc2)nc1)c1cnc2ccccc2n1 ZINC000483207223 1113465334 /nfs/dbraw/zinc/46/53/34/1113465334.db2.gz DOPBUXHPDKCNDS-KRWDZBQOSA-N 0 1 366.380 4.307 20 30 FIEDMN N#CC(C(=O)c1ccc(Oc2ccccc2)nc1)c1cnc2ccccc2n1 ZINC000483207226 1113465737 /nfs/dbraw/zinc/46/57/37/1113465737.db2.gz DOPBUXHPDKCNDS-QGZVFWFLSA-N 0 1 366.380 4.307 20 30 FIEDMN CC(C)(C)c1nnc2ccc(C(=O)C(C#N)c3nccc4ccccc43)cn21 ZINC000483212601 1113465987 /nfs/dbraw/zinc/46/59/87/1113465987.db2.gz JSTZRRBVQLQENU-QGZVFWFLSA-N 0 1 369.428 4.065 20 30 FIEDMN N#Cc1ccc(SCC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1 ZINC000486153268 1113515047 /nfs/dbraw/zinc/51/50/47/1113515047.db2.gz PYDGDMYOVYNBEF-UHFFFAOYSA-N 0 1 362.458 4.433 20 30 FIEDMN C[C@H](N=c1cc(C#N)c2ccccc2[nH]1)c1nc2ccccc2n1C(F)F ZINC000486438443 1113568183 /nfs/dbraw/zinc/56/81/83/1113568183.db2.gz QZBKLURGJQWEKZ-LBPRGKRZSA-N 0 1 363.371 4.446 20 30 FIEDMN CCOc1cc(CN(C)Cc2ccc(C#N)c(C)c2)ccc1OC(F)F ZINC000486800042 1113648792 /nfs/dbraw/zinc/64/87/92/1113648792.db2.gz RGJLJEYNMPOCGF-UHFFFAOYSA-N 0 1 360.404 4.499 20 30 FIEDMN CC(C)(C#N)c1ccccc1CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489017000 1114033052 /nfs/dbraw/zinc/03/30/52/1114033052.db2.gz NLIBSQRKOXUNIP-QGZVFWFLSA-N 0 1 353.441 4.065 20 30 FIEDMN C=CCC[C@@H](C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1)c1ccccc1 ZINC000489693676 1114162911 /nfs/dbraw/zinc/16/29/11/1114162911.db2.gz FEHMUGBKMCRDOE-OAHLLOKOSA-N 0 1 363.417 4.038 20 30 FIEDMN COCC(=O)Nc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000912962636 1114264038 /nfs/dbraw/zinc/26/40/38/1114264038.db2.gz WMPNJNABPBOHOX-UHFFFAOYSA-N 0 1 353.205 4.035 20 30 FIEDMN N#CC(C(=O)C=CSCc1ccco1)c1nc(-c2ccncc2)cs1 ZINC000151139806 1114302825 /nfs/dbraw/zinc/30/28/25/1114302825.db2.gz DMWMCTOGOQLAHU-BOSPYUDASA-N 0 1 367.455 4.421 20 30 FIEDMN C=CCN(CCCc1nc(-c2ccccc2)no1)Cc1ccccc1F ZINC000571608525 1114484553 /nfs/dbraw/zinc/48/45/53/1114484553.db2.gz NCHURIMAXHMFIW-UHFFFAOYSA-N 0 1 351.425 4.497 20 30 FIEDMN N#CC(C(=O)c1ccc(Oc2ccccc2)cn1)c1cnc2ccccc2n1 ZINC000571743536 1114502209 /nfs/dbraw/zinc/50/22/09/1114502209.db2.gz MMODEFMOFVPGAP-KRWDZBQOSA-N 0 1 366.380 4.307 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000588977617 1114683858 /nfs/dbraw/zinc/68/38/58/1114683858.db2.gz DRVFGWDFWLEHPR-RDJZCZTQSA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](C2CC2)C1 ZINC000588977617 1114683865 /nfs/dbraw/zinc/68/38/65/1114683865.db2.gz DRVFGWDFWLEHPR-RDJZCZTQSA-N 0 1 357.523 4.141 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](C3CC3)C2)c1C#N ZINC000588978229 1114684127 /nfs/dbraw/zinc/68/41/27/1114684127.db2.gz SFHDHUNGMUZLLA-GOSISDBHSA-N 0 1 368.525 4.152 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H](C3CC3)C2)c1C#N ZINC000588978229 1114684131 /nfs/dbraw/zinc/68/41/31/1114684131.db2.gz SFHDHUNGMUZLLA-GOSISDBHSA-N 0 1 368.525 4.152 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000588977618 1114684141 /nfs/dbraw/zinc/68/41/41/1114684141.db2.gz DRVFGWDFWLEHPR-WBVHZDCISA-N 0 1 357.523 4.141 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](C2CC2)C1 ZINC000588977618 1114684143 /nfs/dbraw/zinc/68/41/43/1114684143.db2.gz DRVFGWDFWLEHPR-WBVHZDCISA-N 0 1 357.523 4.141 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4ccc(C#N)c([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000589590997 1114813664 /nfs/dbraw/zinc/81/36/64/1114813664.db2.gz HCCCPYBDMOQFDI-OAHLLOKOSA-N 0 1 361.405 4.035 20 30 FIEDMN CCc1c(NC(=O)CC2(C#N)CC2)[nH]nc1-c1ccc(Br)cc1 ZINC000590242047 1114909973 /nfs/dbraw/zinc/90/99/73/1114909973.db2.gz MZEUGPJIQARKGP-UHFFFAOYSA-N 0 1 373.254 4.034 20 30 FIEDMN C[C@H](c1nc2ccccc2s1)N(C)CCC(=O)Nc1sccc1C#N ZINC000057800353 1115007315 /nfs/dbraw/zinc/00/73/15/1115007315.db2.gz LKBORHDEAWKJKV-GFCCVEGCSA-N 0 1 370.503 4.251 20 30 FIEDMN C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)COCc1cccs1 ZINC000057943858 1115035235 /nfs/dbraw/zinc/03/52/35/1115035235.db2.gz QEJFICXSKFNULF-CYBMUJFWSA-N 0 1 357.928 4.029 20 30 FIEDMN N#Cc1cnccc1CN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000592124682 1115203970 /nfs/dbraw/zinc/20/39/70/1115203970.db2.gz JBJVUCHANLIRDR-GOSISDBHSA-N 0 1 351.841 4.210 20 30 FIEDMN Cc1csc([C@@H](C#N)C(=O)CCCc2cccc(Br)c2)n1 ZINC000761001338 1115269865 /nfs/dbraw/zinc/26/98/65/1115269865.db2.gz KBSKCEHJRBINIQ-AWEZNQCLSA-N 0 1 363.280 4.413 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4ncc5c(c4C#N)CCC5)C3)[nH]c2c1 ZINC000574448030 1115383488 /nfs/dbraw/zinc/38/34/88/1115383488.db2.gz ZHTCMBVRUBLCIX-MRXNPFEDSA-N 0 1 357.461 4.011 20 30 FIEDMN COc1cc(NC(C)=O)ccc1[C@@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594516703 1115458493 /nfs/dbraw/zinc/45/84/93/1115458493.db2.gz DJDCNAYTIYIPTI-OAHLLOKOSA-N 0 1 363.461 4.255 20 30 FIEDMN COc1c(C)cccc1CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000594522986 1115459539 /nfs/dbraw/zinc/45/95/39/1115459539.db2.gz UOGZYQODAIZVLI-UHFFFAOYSA-N 0 1 360.461 4.071 20 30 FIEDMN N#CCCCOc1cccc(CNCc2cccc(OC3CC3)c2F)c1 ZINC000594971843 1115500133 /nfs/dbraw/zinc/50/01/33/1115500133.db2.gz PXIBBLBICKUYTG-UHFFFAOYSA-N 0 1 354.425 4.339 20 30 FIEDMN Cn1c(CNCc2ccc(C3(C#N)CC3)cc2)nc2cc(Cl)ccc21 ZINC000594943415 1115501384 /nfs/dbraw/zinc/50/13/84/1115501384.db2.gz DFABNZXTAMESEW-UHFFFAOYSA-N 0 1 350.853 4.072 20 30 FIEDMN Cc1nc2cc(NCc3ccc(C4(C#N)CC4)cc3)ccc2n1[C@H](C)CO ZINC000594946953 1115502007 /nfs/dbraw/zinc/50/20/07/1115502007.db2.gz UPNGQPFSPLADAD-OAHLLOKOSA-N 0 1 360.461 4.065 20 30 FIEDMN CC(C)Cc1ncc(CNC2(c3cccc(C#N)c3)CCOCC2)s1 ZINC000594985509 1115505685 /nfs/dbraw/zinc/50/56/85/1115505685.db2.gz YFBUXPLLAUYXTH-UHFFFAOYSA-N 0 1 355.507 4.009 20 30 FIEDMN N#CCCCOc1cccc(CNCc2cc(F)ccc2OC(F)F)c1 ZINC000594995142 1115506239 /nfs/dbraw/zinc/50/62/39/1115506239.db2.gz LCGLKJALSUMTOJ-UHFFFAOYSA-N 0 1 364.367 4.399 20 30 FIEDMN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1cncc(Br)c1 ZINC000595049167 1115512209 /nfs/dbraw/zinc/51/22/09/1115512209.db2.gz ZGJALQGVABEELC-ZDUSSCGKSA-N 0 1 356.267 4.446 20 30 FIEDMN COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC1(C#N)CCCCC1 ZINC000595091585 1115517617 /nfs/dbraw/zinc/51/76/17/1115517617.db2.gz ROXSSBOEXDHRLS-AWEZNQCLSA-N 0 1 363.889 4.129 20 30 FIEDMN COc1cc(C#N)ccc1CN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000595515115 1115539496 /nfs/dbraw/zinc/53/94/96/1115539496.db2.gz LVIHQOJHWSLQBR-GFCCVEGCSA-N 0 1 354.841 4.290 20 30 FIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H](C2CCC2)C1 ZINC000595837704 1115563702 /nfs/dbraw/zinc/56/37/02/1115563702.db2.gz RQSXXLLQUULAMD-WMZOPIPTSA-N 0 1 371.550 4.389 20 30 FIEDMN CCN(Cc1nc(C#N)cs1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595865700 1115564933 /nfs/dbraw/zinc/56/49/33/1115564933.db2.gz JCXVGFNHSYAKRH-LBPRGKRZSA-N 0 1 353.413 4.487 20 30 FIEDMN N#CC1(CC(=O)Nc2cccc(CN3CCSCC3)c2)CCCCC1 ZINC000596997057 1115634211 /nfs/dbraw/zinc/63/42/11/1115634211.db2.gz XBJVHRSGDUWKAV-UHFFFAOYSA-N 0 1 357.523 4.038 20 30 FIEDMN N#CC[C@H]1CCCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000597178493 1115646966 /nfs/dbraw/zinc/64/69/66/1115646966.db2.gz YQNWWEIZVURXIK-OAHLLOKOSA-N 0 1 362.399 4.076 20 30 FIEDMN CCC[C@@H](CC(C)C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593349616 1115664199 /nfs/dbraw/zinc/66/41/99/1115664199.db2.gz RTROUPCAILBXRT-FQEVSTJZSA-N 0 1 355.526 4.101 20 30 FIEDMN C[C@@H](NCc1cccc(F)c1C#N)[C@H](OC1CCOCC1)c1ccccc1 ZINC000602013079 1115677427 /nfs/dbraw/zinc/67/74/27/1115677427.db2.gz SXIAXTMSKOYQJT-ZHRRBRCNSA-N 0 1 368.452 4.112 20 30 FIEDMN C[C@H](NCc1cccc(F)c1C#N)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000602013073 1115677431 /nfs/dbraw/zinc/67/74/31/1115677431.db2.gz SXIAXTMSKOYQJT-KSFYIVLOSA-N 0 1 368.452 4.112 20 30 FIEDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000597724997 1115682417 /nfs/dbraw/zinc/68/24/17/1115682417.db2.gz KITPYLUBQZKPMG-BLVKFPJESA-N 0 1 356.857 4.210 20 30 FIEDMN Cc1ccc2nc(-c3ccccc3NC(=O)CC3(C#N)CCOCC3)[nH]c2c1 ZINC000597807317 1115687568 /nfs/dbraw/zinc/68/75/68/1115687568.db2.gz AQEWUPCLGMKWKO-UHFFFAOYSA-N 0 1 374.444 4.187 20 30 FIEDMN Fc1ccc(Br)c(CN=Nc2ccc(C(F)(F)F)cn2)c1 ZINC000761254796 1115706198 /nfs/dbraw/zinc/70/61/98/1115706198.db2.gz TUNIUJPUOQPOTB-UHFFFAOYSA-N 0 1 362.124 4.448 20 30 FIEDMN CC(C)(C#N)C[C@H](O)CN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000598621029 1115740580 /nfs/dbraw/zinc/74/05/80/1115740580.db2.gz QWLCRDQPBPIMTF-WMLDXEAASA-N 0 1 360.889 4.044 20 30 FIEDMN CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000598715428 1115747504 /nfs/dbraw/zinc/74/75/04/1115747504.db2.gz QHVMCAHBCVNGNJ-LPHOPBHVSA-N 0 1 360.860 4.459 20 30 FIEDMN CCCN(CC(=O)N[C@H](C)c1ccc(C)c(C)c1)Cc1ccc(C#N)cc1 ZINC000061001626 1115747552 /nfs/dbraw/zinc/74/75/52/1115747552.db2.gz MKHSZTDWSNOARE-LJQANCHMSA-N 0 1 363.505 4.265 20 30 FIEDMN CC(C)(C#N)C[C@@H](O)CN[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000598715430 1115747640 /nfs/dbraw/zinc/74/76/40/1115747640.db2.gz QHVMCAHBCVNGNJ-VQIMIIECSA-N 0 1 360.860 4.459 20 30 FIEDMN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCc2ccc(C#N)s2)c2ccccc21 ZINC000593692695 1115795869 /nfs/dbraw/zinc/79/58/69/1115795869.db2.gz YXEBHCWVQCRWNF-QZTJIDSGSA-N 0 1 354.475 4.280 20 30 FIEDMN COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000603894793 1115826811 /nfs/dbraw/zinc/82/68/11/1115826811.db2.gz MQGCNVTXEMBHCV-UHFFFAOYSA-N 0 1 364.367 4.105 20 30 FIEDMN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000603894793 1115826813 /nfs/dbraw/zinc/82/68/13/1115826813.db2.gz MQGCNVTXEMBHCV-UHFFFAOYSA-N 0 1 364.367 4.105 20 30 FIEDMN N#CCCCC/N=C/c1cc(Br)cc(Br)c1O ZINC000171417252 1115866747 /nfs/dbraw/zinc/86/67/47/1115866747.db2.gz MRDPKVMSTKFKIV-LZYBPNLTSA-N 0 1 360.049 4.030 20 30 FIEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000593968197 1115940611 /nfs/dbraw/zinc/94/06/11/1115940611.db2.gz JNDBHWVPISQOJB-JLTOFOAXSA-N 0 1 374.444 4.103 20 30 FIEDMN Cc1cccc(Cl)c1NC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033543 1115969161 /nfs/dbraw/zinc/96/91/61/1115969161.db2.gz RTHWUAKHXUUCAN-UHFFFAOYSA-N 0 1 353.853 4.128 20 30 FIEDMN C[C@@H](NCc1cnn(Cc2ccccc2Cl)c1)c1ccc(C#N)cc1 ZINC000075755812 1116077858 /nfs/dbraw/zinc/07/78/58/1116077858.db2.gz AQSIETKNBJLGAJ-OAHLLOKOSA-N 0 1 350.853 4.307 20 30 FIEDMN Cc1cc2c[nH]nc2c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 ZINC000608812042 1116129885 /nfs/dbraw/zinc/12/98/85/1116129885.db2.gz DYSNMSFHTFLIPI-UHFFFAOYSA-N 0 1 373.441 4.043 20 30 FIEDMN N#Cc1ccc(C2=CCN(Cc3cnc(-c4ccccc4)nc3)CC2)cc1 ZINC000534310480 1116182953 /nfs/dbraw/zinc/18/29/53/1116182953.db2.gz YZQWZGNDZAFXTH-UHFFFAOYSA-N 0 1 352.441 4.305 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cnn(C(C)C)c2)ccc1OC ZINC000089632495 1116202524 /nfs/dbraw/zinc/20/25/24/1116202524.db2.gz PAYYEGNAMOAPPL-CRAIPNDOSA-N 0 1 356.470 4.004 20 30 FIEDMN CC(C)c1ccc(S(=O)(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 ZINC000609068961 1116227096 /nfs/dbraw/zinc/22/70/96/1116227096.db2.gz CFYLEGORUBSSRH-UHFFFAOYSA-N 0 1 366.389 4.084 20 30 FIEDMN C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457362602 1116270064 /nfs/dbraw/zinc/27/00/64/1116270064.db2.gz LHYKMYRNOQXREE-SUMWQHHRSA-N 0 1 361.873 4.251 20 30 FIEDMN Cc1nc(NC(=O)c2ccc(C#N)c(O)c2)sc1Cc1ccccc1F ZINC000442722528 1116286481 /nfs/dbraw/zinc/28/64/81/1116286481.db2.gz PXAAXJJDJSCDNL-UHFFFAOYSA-N 0 1 367.405 4.011 20 30 FIEDMN Cc1nc(NC(=O)c2ccc(C#N)c(O)c2)sc1Cc1ccc(F)cc1 ZINC000442741642 1116297445 /nfs/dbraw/zinc/29/74/45/1116297445.db2.gz VPTOIFTWVFGCLB-UHFFFAOYSA-N 0 1 367.405 4.011 20 30 FIEDMN N#Cc1cnc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c(Cl)c1 ZINC000442737094 1116297854 /nfs/dbraw/zinc/29/78/54/1116297854.db2.gz KQZSDJYTWHVSPN-OAHLLOKOSA-N 0 1 358.232 4.478 20 30 FIEDMN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccncc1OCC(F)F ZINC000442866723 1116324382 /nfs/dbraw/zinc/32/43/82/1116324382.db2.gz MIQWCSVSERBBLD-GOSISDBHSA-N 0 1 357.404 4.154 20 30 FIEDMN CCCOc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1OCCC ZINC000442898297 1116329472 /nfs/dbraw/zinc/32/94/72/1116329472.db2.gz NZJFLUFNTCIBNQ-UHFFFAOYSA-N 0 1 354.406 4.094 20 30 FIEDMN COc1ccc(N(Cc2cccs2)C(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000442973279 1116336883 /nfs/dbraw/zinc/33/68/83/1116336883.db2.gz DNELFNLYKILYQK-UHFFFAOYSA-N 0 1 364.426 4.181 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C)o1 ZINC000539549558 1116342609 /nfs/dbraw/zinc/34/26/09/1116342609.db2.gz DEXKAKXYNXWQGX-UHFFFAOYSA-N 0 1 368.414 4.361 20 30 FIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccc4c(c3)ncn4C)n2)cc1 ZINC000539680503 1116365486 /nfs/dbraw/zinc/36/54/86/1116365486.db2.gz TVGMSBKBXIKBFN-INIZCTEOSA-N 0 1 372.453 4.495 20 30 FIEDMN C=CCOc1ccccc1CNCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462736195 1117742722 /nfs/dbraw/zinc/74/27/22/1117742722.db2.gz DLVWYNBWJZPYJZ-UHFFFAOYSA-N 0 1 353.462 4.497 20 30 FIEDMN N#Cc1ccc(C2=CCN(Cc3cnc(-c4ccccn4)s3)CC2)cc1 ZINC000539923692 1117757549 /nfs/dbraw/zinc/75/75/49/1117757549.db2.gz JBFGSBVAXNCBFH-UHFFFAOYSA-N 0 1 358.470 4.366 20 30 FIEDMN CC(C)(NCC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(Cl)c1 ZINC000540411595 1118038719 /nfs/dbraw/zinc/03/87/19/1118038719.db2.gz SNPBBNSYVZKZNX-UHFFFAOYSA-N 0 1 362.260 4.328 20 30 FIEDMN C=CCc1cc(CN[C@H]2CCCOc3ccc(F)cc32)cc(OC)c1O ZINC000540585643 1118130887 /nfs/dbraw/zinc/13/08/87/1118130887.db2.gz BGKCUMFUEXTUCV-SFHVURJKSA-N 0 1 357.425 4.272 20 30 FIEDMN C[C@@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(C#N)cc1 ZINC000540597025 1118139779 /nfs/dbraw/zinc/13/97/79/1118139779.db2.gz GAZRFUQPPTZGMV-MRXNPFEDSA-N 0 1 356.429 4.056 20 30 FIEDMN C[C@H](N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(C#N)cc1 ZINC000540918490 1118315362 /nfs/dbraw/zinc/31/53/62/1118315362.db2.gz KURGHOMPRXRTEI-KPZWWZAWSA-N 0 1 374.271 4.321 20 30 FIEDMN Cc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)on1 ZINC000541073985 1118370322 /nfs/dbraw/zinc/37/03/22/1118370322.db2.gz IZCZQGDNVRVECI-JKSUJKDBSA-N 0 1 374.444 4.200 20 30 FIEDMN CC(C)(C#N)c1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464411989 1118547331 /nfs/dbraw/zinc/54/73/31/1118547331.db2.gz PUCQAERBURQSAT-OAHLLOKOSA-N 0 1 357.335 4.392 20 30 FIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H]2C2CC2)c1C#N ZINC000609133723 1118604434 /nfs/dbraw/zinc/60/44/34/1118604434.db2.gz YLAMBVRSLFYQMQ-FQEVSTJZSA-N 0 1 368.525 4.295 20 30 FIEDMN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000464764977 1118685559 /nfs/dbraw/zinc/68/55/59/1118685559.db2.gz JIRXKXJZAZWDQS-MBSDFSHPSA-N 0 1 363.505 4.401 20 30 FIEDMN Cc1cccc([C@@H]2CCCCN2CC(=O)NCc2ccc(C#N)cc2)c1C ZINC000464772535 1118696734 /nfs/dbraw/zinc/69/67/34/1118696734.db2.gz HFAFNNNZECFBSC-QFIPXVFZSA-N 0 1 361.489 4.019 20 30 FIEDMN C=CCSc1ccccc1NC(=O)CN[C@H](C)c1ccncc1CC ZINC000542124200 1118798420 /nfs/dbraw/zinc/79/84/20/1118798420.db2.gz XGQUSWQDVOSNQQ-OAHLLOKOSA-N 0 1 355.507 4.211 20 30 FIEDMN CCC(CC)CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000151583695 1118938910 /nfs/dbraw/zinc/93/89/10/1118938910.db2.gz RGCFQGSPHROINT-AWEZNQCLSA-N 0 1 354.422 4.475 20 30 FIEDMN FC(F)(F)c1ccn(C2CCN(CC#Cc3ccc(Cl)cc3)CC2)n1 ZINC000183186203 1119568608 /nfs/dbraw/zinc/56/86/08/1119568608.db2.gz PGQHUPXPLDAZCF-UHFFFAOYSA-N 0 1 367.802 4.244 20 30 FIEDMN C=C(C)C[C@@H](C)C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000185031770 1119636846 /nfs/dbraw/zinc/63/68/46/1119636846.db2.gz SJSJYQIJMNBIFM-MRXNPFEDSA-N 0 1 368.443 4.342 20 30 FIEDMN CCc1oc2ccccc2c1CN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000494360171 1119834727 /nfs/dbraw/zinc/83/47/27/1119834727.db2.gz MRHIYWDKIBXHCZ-MRXNPFEDSA-N 0 1 367.493 4.158 20 30 FIEDMN COc1cc([C@H](C)NCC#Cc2ccccc2)ccc1OCc1ccncc1 ZINC000192151016 1120030757 /nfs/dbraw/zinc/03/07/57/1120030757.db2.gz YALDYRUHDLXIBS-IBGZPJMESA-N 0 1 372.468 4.372 20 30 FIEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001127295992 1120042666 /nfs/dbraw/zinc/04/26/66/1120042666.db2.gz HMWZWMWRMLTLBQ-LLVKDONJSA-N 0 1 372.350 4.271 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4ncc(Cl)c(C)c4C#N)C3)[nH]c2c1 ZINC000542507775 1120287690 /nfs/dbraw/zinc/28/76/90/1120287690.db2.gz LSOBQEOCJOCTEA-CQSZACIVSA-N 0 1 365.868 4.484 20 30 FIEDMN N#Cc1c(F)ccc(C=NNc2ncnc3sc4c(c32)CCC4)c1Cl ZINC000761748424 1120321973 /nfs/dbraw/zinc/32/19/73/1120321973.db2.gz BSGBSDOJNHILPN-UHFFFAOYSA-N 0 1 371.828 4.290 20 30 FIEDMN CON=Cc1ccc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1 ZINC000914604819 1120416919 /nfs/dbraw/zinc/41/69/19/1120416919.db2.gz UOECTPQPNQNHML-UHFFFAOYSA-N 0 1 350.422 4.093 20 30 FIEDMN FC(F)(F)c1ccc(CN=Nc2ccc(Br)cn2)s1 ZINC000761808223 1120469641 /nfs/dbraw/zinc/46/96/41/1120469641.db2.gz OLKRZEMJQXLQEC-UHFFFAOYSA-N 0 1 350.163 4.370 20 30 FIEDMN C[C@@H](N[C@H](C)c1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000193207865 1120532059 /nfs/dbraw/zinc/53/20/59/1120532059.db2.gz UYWNVXKZHSWOEK-VXGBXAGGSA-N 0 1 373.909 4.440 20 30 FIEDMN C=CCN(CCc1ccco1)Cc1cc(Br)c(OC)s1 ZINC000495203555 1120540005 /nfs/dbraw/zinc/54/00/05/1120540005.db2.gz WVUHGAKDPYRRRH-UHFFFAOYSA-N 0 1 356.285 4.343 20 30 FIEDMN CC(N=Nc1cnn(C)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000761864271 1120558407 /nfs/dbraw/zinc/55/84/07/1120558407.db2.gz HDRIGSDFMMSHKU-UHFFFAOYSA-N 0 1 350.266 4.294 20 30 FIEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000762033054 1120662478 /nfs/dbraw/zinc/66/24/78/1120662478.db2.gz YJFZRQPREMQSNG-RISCZKNCSA-N 0 1 350.846 4.068 20 30 FIEDMN C#Cc1cccc(NC(=O)N2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000915340158 1120926083 /nfs/dbraw/zinc/92/60/83/1120926083.db2.gz FSNQVTKUEWBKIH-UHFFFAOYSA-N 0 1 369.468 4.171 20 30 FIEDMN CC(=Cc1cc(Cl)cc(C(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193608359 1120981199 /nfs/dbraw/zinc/98/11/99/1120981199.db2.gz MJOVUNMTECUZHT-FPYGCLRLSA-N 0 1 353.731 4.183 20 30 FIEDMN CC(C)(C#N)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000026547584 1121098230 /nfs/dbraw/zinc/09/82/30/1121098230.db2.gz JXIJSCHMCZLPEX-UHFFFAOYSA-N 0 1 352.818 4.081 20 30 FIEDMN CC(=NNc1c(Cl)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000763188321 1121245756 /nfs/dbraw/zinc/24/57/56/1121245756.db2.gz PQMHINUKRQODBT-UHFFFAOYSA-N 0 1 357.262 4.233 20 30 FIEDMN COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1OC(F)F ZINC000915917839 1121348031 /nfs/dbraw/zinc/34/80/31/1121348031.db2.gz QKOCUTNHEVRZQY-UHFFFAOYSA-N 0 1 361.270 4.156 20 30 FIEDMN Cc1nn(Cc2ccccc2)c(C)c1C=NNc1ccc(C(F)(F)F)cn1 ZINC000915918313 1121349501 /nfs/dbraw/zinc/34/95/01/1121349501.db2.gz JFNOUBVEBYJGOG-UHFFFAOYSA-N 0 1 373.382 4.408 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1C=NNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000915975144 1121359159 /nfs/dbraw/zinc/35/91/59/1121359159.db2.gz FBPYIHNOJQBXJW-UHFFFAOYSA-N 0 1 369.812 4.497 20 30 FIEDMN COc1ccc(-c2n[nH]cc2C=NNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000915975552 1121359243 /nfs/dbraw/zinc/35/92/43/1121359243.db2.gz JJPXIIVHJFLWRJ-UHFFFAOYSA-N 0 1 371.784 4.093 20 30 FIEDMN C=CCOc1ccc(CN2CC[C@H](c3nc(C4CC4)no3)C2)cc1Cl ZINC000496372790 1121422872 /nfs/dbraw/zinc/42/28/72/1121422872.db2.gz UPFYPKJHFWNKAG-HNNXBMFYSA-N 0 1 359.857 4.155 20 30 FIEDMN C(=[NH+][N-]c1nc(-c2ccccc2)cs1)c1ccc(N2CCOCC2)s1 ZINC000916545519 1121538805 /nfs/dbraw/zinc/53/88/05/1121538805.db2.gz LRAHONOOESOSMN-UHFFFAOYSA-N 0 1 370.503 4.154 20 30 FIEDMN C#CCOc1ccc(CNCc2cccnc2Oc2cccc(OC)c2)cc1 ZINC000154064657 1121548925 /nfs/dbraw/zinc/54/89/25/1121548925.db2.gz RGCWBMVPQKQKDE-UHFFFAOYSA-N 0 1 374.440 4.184 20 30 FIEDMN C[C@@H](C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)C(C)(F)F ZINC000496931506 1121558361 /nfs/dbraw/zinc/55/83/61/1121558361.db2.gz DHFRCFGWXNKYCS-LURJTMIESA-N 0 1 371.256 4.447 20 30 FIEDMN Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NOCc1ccccc1 ZINC000916622530 1121564171 /nfs/dbraw/zinc/56/41/71/1121564171.db2.gz XMTKIICESMRHFZ-UHFFFAOYSA-N 0 1 360.461 4.332 20 30 FIEDMN CCCN(Cc1ccccc1Br)C[C@H](O)c1ccc(C#N)cc1 ZINC000763405524 1121576165 /nfs/dbraw/zinc/57/61/65/1121576165.db2.gz CSSZJYFBMIWXMP-IBGZPJMESA-N 0 1 373.294 4.266 20 30 FIEDMN CCCCCNC(=O)C(C#N)C(=O)CSc1cc(Cl)ccc1Cl ZINC000916876577 1121906220 /nfs/dbraw/zinc/90/62/20/1121906220.db2.gz BSQSJIWGDIJIQB-LBPRGKRZSA-N 0 1 373.305 4.101 20 30 FIEDMN CCCCCCNC(=O)C(C#N)C(=O)CSc1ccc2ccccc2c1 ZINC000916875996 1121906373 /nfs/dbraw/zinc/90/63/73/1121906373.db2.gz NEERVOGVGIUGOA-IBGZPJMESA-N 0 1 368.502 4.337 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2noc3c2CCCC3)cc1 ZINC000916951178 1121973486 /nfs/dbraw/zinc/97/34/86/1121973486.db2.gz XOTUASWCLBUKHN-SUMWQHHRSA-N 0 1 365.433 4.028 20 30 FIEDMN COc1c(Br)cccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000553261450 1122054583 /nfs/dbraw/zinc/05/45/83/1122054583.db2.gz CHEXESVYVNETHE-SFHVURJKSA-N 0 1 371.278 4.497 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccccc3OC)n2)cc1 ZINC000066544526 1122072881 /nfs/dbraw/zinc/07/28/81/1122072881.db2.gz LIHWPUUPTCGSQM-MRXNPFEDSA-N 0 1 364.426 4.317 20 30 FIEDMN COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OC)n2)cc1 ZINC000066544526 1122072885 /nfs/dbraw/zinc/07/28/85/1122072885.db2.gz LIHWPUUPTCGSQM-MRXNPFEDSA-N 0 1 364.426 4.317 20 30 FIEDMN Cn1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1C1CCC1 ZINC000497366479 1122145354 /nfs/dbraw/zinc/14/53/54/1122145354.db2.gz RLWYPAQAQOGUFT-MRXNPFEDSA-N 0 1 362.458 4.301 20 30 FIEDMN Cn1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c1C1CCC1 ZINC000497366479 1122145359 /nfs/dbraw/zinc/14/53/59/1122145359.db2.gz RLWYPAQAQOGUFT-MRXNPFEDSA-N 0 1 362.458 4.301 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)c(C(F)(F)F)c1 ZINC000055547900 1122252252 /nfs/dbraw/zinc/25/22/52/1122252252.db2.gz RBNILASJIHIUSV-UHFFFAOYSA-N 0 1 360.744 4.031 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)nc1 ZINC000107458666 1122285263 /nfs/dbraw/zinc/28/52/63/1122285263.db2.gz VAMVUBITTPSGAV-UHFFFAOYSA-N 0 1 373.803 4.402 20 30 FIEDMN CCCN(CC(=O)N[C@H](C)c1ccc(CC)cc1)Cc1ccc(C#N)cc1 ZINC000107700534 1122314779 /nfs/dbraw/zinc/31/47/79/1122314779.db2.gz WSHGFBOSBKSJJI-GOSISDBHSA-N 0 1 363.505 4.210 20 30 FIEDMN CC(=O)N(c1nc(C=N[N-]c2cccc[nH+]2)cs1)c1ccc(Cl)cc1 ZINC000917535635 1122352411 /nfs/dbraw/zinc/35/24/11/1122352411.db2.gz FAJGKIQYNWDJTJ-UHFFFAOYSA-N 0 1 371.853 4.322 20 30 FIEDMN COc1cc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1O ZINC000917552064 1122358904 /nfs/dbraw/zinc/35/89/04/1122358904.db2.gz NNDIPKSBNYBDFV-ZDUSSCGKSA-N 0 1 357.410 4.117 20 30 FIEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(Cl)c(Cl)c1Cl ZINC000917554427 1122359494 /nfs/dbraw/zinc/35/94/94/1122359494.db2.gz FAAYXOOSXQBNHL-UHFFFAOYSA-N 0 1 355.616 4.149 20 30 FIEDMN CCOc1ccc(O)c(/C=N/C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000917556986 1122360831 /nfs/dbraw/zinc/36/08/31/1122360831.db2.gz SSKSTMKPRPCRPN-OEAKJJBVSA-N 0 1 356.441 4.014 20 30 FIEDMN COc1cccc(O)c1/C=N/C[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000917557261 1122361412 /nfs/dbraw/zinc/36/14/12/1122361412.db2.gz CTRWZOPVWIKCAU-CKMDTHJYSA-N 0 1 368.477 4.056 20 30 FIEDMN C=CC[C@@H](CO)CN[C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000556119566 1122670143 /nfs/dbraw/zinc/67/01/43/1122670143.db2.gz AIKBUHZFVMVBSG-SJKOYZFVSA-N 0 1 368.246 4.045 20 30 FIEDMN O=[N+]([O-])c1ccccc1N=NCc1csc(COc2ccccc2)n1 ZINC000918708184 1122755621 /nfs/dbraw/zinc/75/56/21/1122755621.db2.gz FJZHUTFDUJRWFY-UHFFFAOYSA-N 0 1 354.391 4.076 20 30 FIEDMN C=CCc1cc(OCC)cc(CN2CCO[C@@H](c3ccccc3)C2)c1O ZINC000919939710 1123273829 /nfs/dbraw/zinc/27/38/29/1123273829.db2.gz GSFXAJZGFOKQAA-OAQYLSRUSA-N 0 1 353.462 4.093 20 30 FIEDMN CCOc1cc(CNCC#Cc2ccc(C(F)(F)F)cc2)ccc1OC ZINC000236917358 1123583864 /nfs/dbraw/zinc/58/38/64/1123583864.db2.gz QTVOAANNVFMQND-UHFFFAOYSA-N 0 1 363.379 4.254 20 30 FIEDMN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc(F)cc1C#N ZINC000609385711 1123699214 /nfs/dbraw/zinc/69/92/14/1123699214.db2.gz KYANBDQYFZJDST-UHFFFAOYSA-N 0 1 366.415 4.291 20 30 FIEDMN CN(Cc1cc(Br)cn1C)Cc1ccccc1C(C)(C)C#N ZINC000135287546 1123734453 /nfs/dbraw/zinc/73/44/53/1123734453.db2.gz QYTOZLGJLDCUDF-UHFFFAOYSA-N 0 1 360.299 4.221 20 30 FIEDMN COc1ccc(CNCc2ccccc2OC(C)C)cc1OCCCC#N ZINC000064614218 1123867642 /nfs/dbraw/zinc/86/76/42/1123867642.db2.gz NWKHLIUSKCSXEO-UHFFFAOYSA-N 0 1 368.477 4.455 20 30 FIEDMN COCCn1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)c2ccccc21 ZINC000080450157 1123965834 /nfs/dbraw/zinc/96/58/34/1123965834.db2.gz CCDOUJUQBIYUBN-OAHLLOKOSA-N 0 1 367.474 4.358 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(SC(C)C)cc2)n1 ZINC000067897746 1123985387 /nfs/dbraw/zinc/98/53/87/1123985387.db2.gz YVCHXEDKVHIHTQ-CQSZACIVSA-N 0 1 374.487 4.310 20 30 FIEDMN CC(C)(NCC(=O)N(CCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000179603780 1124014328 /nfs/dbraw/zinc/01/43/28/1124014328.db2.gz SABSTCQCVZIIKD-UHFFFAOYSA-N 0 1 355.869 4.112 20 30 FIEDMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C=Cc1ccc(Cl)nc1 ZINC000179784719 1124075525 /nfs/dbraw/zinc/07/55/25/1124075525.db2.gz HKQUBSMEGOENDY-VFADXPBXSA-N 0 1 363.804 4.130 20 30 FIEDMN N#Cc1ccc(NC2CCN(Cc3ccccn3)CC2)c(C(F)(F)F)c1 ZINC000301322485 1124216266 /nfs/dbraw/zinc/21/62/66/1124216266.db2.gz IENCDNXULSEKPB-UHFFFAOYSA-N 0 1 360.383 4.049 20 30 FIEDMN N#Cc1ccc(NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000301538891 1124240042 /nfs/dbraw/zinc/24/00/42/1124240042.db2.gz UQYCSCYBVFMUDT-UHFFFAOYSA-N 0 1 360.383 4.049 20 30 FIEDMN COc1ccc2[nH]cc(C=NNc3nc4ccccc4s3)c2c1[N+](=O)[O-] ZINC000785451021 1124351217 /nfs/dbraw/zinc/35/12/17/1124351217.db2.gz LCDCOIXOLKMYBB-UHFFFAOYSA-N 0 1 367.390 4.140 20 30 FIEDMN CN1CC[C@H](Nc2ccc3cc(C#N)ccc3n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302829946 1124356750 /nfs/dbraw/zinc/35/67/50/1124356750.db2.gz PRJMPDLTMFBNAW-FPOVZHCZSA-N 0 1 364.399 4.242 20 30 FIEDMN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000765908157 1124412961 /nfs/dbraw/zinc/41/29/61/1124412961.db2.gz JVVBGQOKBDWAJK-VQTJNVASSA-N 0 1 371.444 4.264 20 30 FIEDMN CCCCc1nc2ccc(NC(=O)[C@@H](C)Oc3ccccc3C#N)cc2[nH]1 ZINC000109003138 1124432232 /nfs/dbraw/zinc/43/22/32/1124432232.db2.gz GZVQEPFBRNIFON-CQSZACIVSA-N 0 1 362.433 4.183 20 30 FIEDMN N#CCOc1ccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180848556 1124444738 /nfs/dbraw/zinc/44/47/38/1124444738.db2.gz NIUBFQDRMXVHBF-JOCHJYFZSA-N 0 1 373.412 4.376 20 30 FIEDMN N#Cc1ccc(NCC2(N3CCOCC3)CCCCC2)cc1C(F)(F)F ZINC000111103221 1124841609 /nfs/dbraw/zinc/84/16/09/1124841609.db2.gz JCUXTCHLVSKYJN-UHFFFAOYSA-N 0 1 367.415 4.024 20 30 FIEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(CN(CC)CC)o1 ZINC000672239104 1124912594 /nfs/dbraw/zinc/91/25/94/1124912594.db2.gz PJKYOHMMSDLUGS-UHFFFAOYSA-N 0 1 372.513 4.117 20 30 FIEDMN C=CCN1CC[C@@H](N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000499519791 1124992199 /nfs/dbraw/zinc/99/21/99/1124992199.db2.gz BPISMXKLTFXSOW-DLBZAZTESA-N 0 1 352.400 4.019 20 30 FIEDMN C=CCc1cc(CNC2(c3nc(C)cs3)CCCC2)cc(OC)c1O ZINC000113342757 1125156849 /nfs/dbraw/zinc/15/68/49/1125156849.db2.gz SSIQSQVMVMMCFD-UHFFFAOYSA-N 0 1 358.507 4.453 20 30 FIEDMN N#C[C@H](C(=O)c1cccc(CN2CCCC2)c1)c1ccc2ccccc2n1 ZINC000672580600 1125188640 /nfs/dbraw/zinc/18/86/40/1125188640.db2.gz RPGKDJULKGTLRM-FQEVSTJZSA-N 0 1 355.441 4.321 20 30 FIEDMN C=C(C)COc1cccc(NC(=O)NCc2nc3cccc(C)c3[nH]2)c1 ZINC000499577941 1125204979 /nfs/dbraw/zinc/20/49/79/1125204979.db2.gz JHJYRFKIYJUTDG-UHFFFAOYSA-N 0 1 350.422 4.148 20 30 FIEDMN C[C@@H](NCc1ccccc1OCC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000182009505 1125213453 /nfs/dbraw/zinc/21/34/53/1125213453.db2.gz SQYOTGFRDCQNFB-CQSZACIVSA-N 0 1 364.367 4.381 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2cc(-c3ccccc3)cnc2C)ccc1C#N ZINC000618604733 1125218589 /nfs/dbraw/zinc/21/85/89/1125218589.db2.gz OXCLFWZCYVYJKD-UHFFFAOYSA-N 0 1 363.442 4.038 20 30 FIEDMN CCSc1ccc([C@@H](C)NCC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000182121636 1125245963 /nfs/dbraw/zinc/24/59/63/1125245963.db2.gz AUBAEVDXPCASNO-CYBMUJFWSA-N 0 1 357.479 4.169 20 30 FIEDMN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)c(SC)cc1OC ZINC000618741529 1125259044 /nfs/dbraw/zinc/25/90/44/1125259044.db2.gz FILIBABNDDKVFU-QGZVFWFLSA-N 0 1 354.475 4.074 20 30 FIEDMN COc1ccc(-c2ccncc2)cc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618742388 1125260089 /nfs/dbraw/zinc/26/00/89/1125260089.db2.gz YEZCSLUNSBDCOU-JOCHJYFZSA-N 0 1 355.441 4.406 20 30 FIEDMN COC(=O)c1ccccc1-c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)o1 ZINC000618831393 1125290753 /nfs/dbraw/zinc/29/07/53/1125290753.db2.gz OWBGIOSYDCZLOE-OAQYLSRUSA-N 0 1 372.424 4.382 20 30 FIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1 ZINC000022475027 220387486 /nfs/dbraw/zinc/38/74/86/220387486.db2.gz YUNUCWZYWGRPJY-UHFFFAOYSA-N 0 1 372.393 4.013 20 30 FIEDMN C[C@@H]1[C@@H](C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)C1(F)F ZINC000461107491 567999857 /nfs/dbraw/zinc/99/98/57/567999857.db2.gz JOMNBKHGZGQCDH-ANLVUFKYSA-N 0 1 369.240 4.057 20 30 FIEDMN C[C@H]1[C@H](C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)C1(F)F ZINC000461107494 568000061 /nfs/dbraw/zinc/00/00/61/568000061.db2.gz JOMNBKHGZGQCDH-SSDLBLMSSA-N 0 1 369.240 4.057 20 30 FIEDMN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(Br)c1Cl ZINC000602695941 568016187 /nfs/dbraw/zinc/01/61/87/568016187.db2.gz PAQPZAHPYICDOS-GFCCVEGCSA-N 0 1 371.706 4.291 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)n[nH]2)c(C)c1 ZINC000188649115 568045057 /nfs/dbraw/zinc/04/50/57/568045057.db2.gz WUFRXMUNZGGBLW-OAHLLOKOSA-N 0 1 355.401 4.060 20 30 FIEDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481931126 568189878 /nfs/dbraw/zinc/18/98/78/568189878.db2.gz YOBYLZBTVVHXLK-LJQANCHMSA-N 0 1 351.406 4.032 20 30 FIEDMN Cc1cc(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)c(Cl)cc1F ZINC000481967573 568199516 /nfs/dbraw/zinc/19/95/16/568199516.db2.gz ZHPQIGQCDOJWPN-UHFFFAOYSA-N 0 1 359.209 4.113 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(c4c(C#N)nnc5ccccc54)C3)[nH]c2c1 ZINC000541989768 568308759 /nfs/dbraw/zinc/30/87/59/568308759.db2.gz VRKVCBUQGPZPFN-HNNXBMFYSA-N 0 1 368.444 4.070 20 30 FIEDMN Cc1cc(F)ccc1C1CCN(C([O-])=[NH+]C[C@H]2CCCn3ccnc32)CC1 ZINC000330193033 571327876 /nfs/dbraw/zinc/32/78/76/571327876.db2.gz AFDAOAMVBPCDOX-QGZVFWFLSA-N 0 1 370.472 4.002 20 30 FIEDMN N#Cc1ccc(CNCc2ccccc2OCc2ccccn2)cc1Cl ZINC000619748864 1125690762 /nfs/dbraw/zinc/69/07/62/1125690762.db2.gz WQMBXIYELPOWGN-UHFFFAOYSA-N 0 1 363.848 4.475 20 30 FIEDMN COc1cc(CNCc2ccc(C#N)c(Cl)c2)ccc1OC(F)F ZINC000619748908 1125691093 /nfs/dbraw/zinc/69/10/93/1125691093.db2.gz RRDYTLPCZTVBLV-UHFFFAOYSA-N 0 1 352.768 4.111 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccsc1 ZINC000619782667 1125695132 /nfs/dbraw/zinc/69/51/32/1125695132.db2.gz JDQLOIHBINFUGR-ZIAGYGMSSA-N 0 1 359.520 4.289 20 30 FIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccsc1 ZINC000619783656 1125696262 /nfs/dbraw/zinc/69/62/62/1125696262.db2.gz WNYJMDDWGOCZPQ-ZIAGYGMSSA-N 0 1 359.520 4.432 20 30 FIEDMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2O[C@@H](C)C#N)c1C ZINC000183134258 1125759708 /nfs/dbraw/zinc/75/97/08/1125759708.db2.gz GTJMIUUQGNJIBO-AWEZNQCLSA-N 0 1 358.463 4.012 20 30 FIEDMN CN(CCC#N)c1ccc(CNCc2ccc(OC(F)F)cc2F)cc1 ZINC001203384933 1079801896 /nfs/dbraw/zinc/80/18/96/1079801896.db2.gz RDYZBYVSLBZNGC-UHFFFAOYSA-N 0 1 363.383 4.067 20 30 FIEDMN CC1(C)Cc2cccc(C(=O)C(C#N)c3cc(C(F)(F)F)ccn3)c2O1 ZINC000654996432 1079830748 /nfs/dbraw/zinc/83/07/48/1079830748.db2.gz USZDBKGPIZEHJK-CQSZACIVSA-N 0 1 360.335 4.304 20 30 FIEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC000187014485 1079877602 /nfs/dbraw/zinc/87/76/02/1079877602.db2.gz QJEFOUAZJMFZMW-UHFFFAOYSA-N 0 1 373.821 4.031 20 30 FIEDMN Cc1nc(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[nH]c1-c1ccccc1 ZINC000187132816 1079910751 /nfs/dbraw/zinc/91/07/51/1079910751.db2.gz SWLNXXTWIGTGNC-GOSISDBHSA-N 0 1 374.469 4.154 20 30 FIEDMN Cc1csc(C(C#N)C(=O)C=Cc2cc(Br)ccc2F)n1 ZINC000254973183 1080126402 /nfs/dbraw/zinc/12/64/02/1080126402.db2.gz GPFBBHPXHVHNOQ-BXETVTBUSA-N 0 1 365.227 4.243 20 30 FIEDMN CC(C)(C)OCc1cc(CNC2CCC(C#N)(c3ccccc3)CC2)no1 ZINC000274989445 1080319822 /nfs/dbraw/zinc/31/98/22/1080319822.db2.gz LITFQJDBIMVCHN-UHFFFAOYSA-N 0 1 367.493 4.483 20 30 FIEDMN CCOc1ccccc1CN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000180039062 1080422348 /nfs/dbraw/zinc/42/23/48/1080422348.db2.gz FPBIHPIEQWMTQZ-UHFFFAOYSA-N 0 1 374.488 4.494 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H](NC([O-])=[NH+][C@@H]1C[C@H]1c1cccc(Cl)c1)CC2 ZINC000328598997 1080660189 /nfs/dbraw/zinc/66/01/89/1080660189.db2.gz BOZDPYRZFJDJGX-OKZBNKHCSA-N 0 1 372.900 4.034 20 30 FIEDMN CC(C)n1ncc2c1C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)CC2 ZINC000328598997 1080660193 /nfs/dbraw/zinc/66/01/93/1080660193.db2.gz BOZDPYRZFJDJGX-OKZBNKHCSA-N 0 1 372.900 4.034 20 30 FIEDMN CCCN(Cc1ccccc1Br)C[C@H](O)c1cccc(C#N)c1 ZINC001167240471 1080896592 /nfs/dbraw/zinc/89/65/92/1080896592.db2.gz GMVYDKJRDRCSKM-IBGZPJMESA-N 0 1 373.294 4.266 20 30 FIEDMN CC(C)n1ncc2cc(/C=C\C(=O)c3ccc(O)c(F)c3)c(Cl)nc21 ZINC000255065864 1081063301 /nfs/dbraw/zinc/06/33/01/1081063301.db2.gz FSJJVJILSPZDJN-PLNGDYQASA-N 0 1 359.788 4.406 20 30 FIEDMN COc1cc([C@@H](C)NCC#Cc2cccc(Cl)c2)cc(OC)c1OC ZINC000538123770 1081331477 /nfs/dbraw/zinc/33/14/77/1081331477.db2.gz BVGCLPHNKJQYPS-CQSZACIVSA-N 0 1 359.853 4.068 20 30 FIEDMN N#Cc1cc(NC(=O)c2c(O)cccc2Cl)ccc1OC(F)(F)F ZINC000799771312 1081388618 /nfs/dbraw/zinc/38/86/18/1081388618.db2.gz CHLKJJRQPIPMNS-UHFFFAOYSA-N 0 1 356.687 4.068 20 30 FIEDMN C[C@H](NCc1cnn(Cc2ccccc2Cl)c1)c1cccc(C#N)c1 ZINC000610345021 1081500672 /nfs/dbraw/zinc/50/06/72/1081500672.db2.gz QHPNJJPRSMYMAX-HNNXBMFYSA-N 0 1 350.853 4.307 20 30 FIEDMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610346578 1081504500 /nfs/dbraw/zinc/50/45/00/1081504500.db2.gz XOGJJEKYYMBRMY-KGLIPLIRSA-N 0 1 371.868 4.207 20 30 FIEDMN N#Cc1csc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000177687681 1081529016 /nfs/dbraw/zinc/52/90/16/1081529016.db2.gz PARDRSSQFIIGQP-UHFFFAOYSA-N 0 1 365.433 4.301 20 30 FIEDMN C[N@H+]1CCc2c(C#N)c(Nc3cc(Cl)c([O-])c(Cl)c3)sc2C1 ZINC001210924912 1081851904 /nfs/dbraw/zinc/85/19/04/1081851904.db2.gz XGDBREGSNBAKBN-UHFFFAOYSA-N 0 1 354.262 4.364 20 30 FIEDMN N#CC[C@@H](C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccccc1 ZINC001125450781 1081967244 /nfs/dbraw/zinc/96/72/44/1081967244.db2.gz OVVVXWZHNZUJLL-APWZRJJASA-N 0 1 360.417 4.050 20 30 FIEDMN N#Cc1ccc(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)cc1Cl ZINC000581050645 1082295641 /nfs/dbraw/zinc/29/56/41/1082295641.db2.gz HWSRWYIZEGVSIP-LLVKDONJSA-N 0 1 354.763 4.338 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cncc(Br)c2)s1 ZINC000430608866 1082637190 /nfs/dbraw/zinc/63/71/90/1082637190.db2.gz FMYCAMDNXYQBNZ-LLVKDONJSA-N 0 1 364.268 4.088 20 30 FIEDMN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cncc(Br)c2)s1 ZINC000430608866 1082637198 /nfs/dbraw/zinc/63/71/98/1082637198.db2.gz FMYCAMDNXYQBNZ-LLVKDONJSA-N 0 1 364.268 4.088 20 30 FIEDMN O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)[C@H]1CCc2[nH]nnc2C1 ZINC000328800767 1082683063 /nfs/dbraw/zinc/68/30/63/1082683063.db2.gz YRPDFHRNPOCDSL-NSHDSACASA-N 0 1 360.845 4.173 20 30 FIEDMN O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)[C@H]1CCc2nn[nH]c2C1 ZINC000328800767 1082683070 /nfs/dbraw/zinc/68/30/70/1082683070.db2.gz YRPDFHRNPOCDSL-NSHDSACASA-N 0 1 360.845 4.173 20 30 FIEDMN N#CC(C(=O)C=Cc1cncc(F)c1)c1nc2cc(Cl)ccc2s1 ZINC000255368105 1082829654 /nfs/dbraw/zinc/82/96/54/1082829654.db2.gz HJKFGIIHHSLJEI-MTMQSLQUSA-N 0 1 357.797 4.373 20 30 FIEDMN C=CCOc1cc(OC)ccc1C(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000155681301 1082866602 /nfs/dbraw/zinc/86/66/02/1082866602.db2.gz PZJQPMIHNDWGPS-HNNXBMFYSA-N 0 1 364.426 4.360 20 30 FIEDMN C=CCOc1cc(OC)ccc1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000155681301 1082866604 /nfs/dbraw/zinc/86/66/04/1082866604.db2.gz PZJQPMIHNDWGPS-HNNXBMFYSA-N 0 1 364.426 4.360 20 30 FIEDMN CC#CCCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000156621282 1082941486 /nfs/dbraw/zinc/94/14/86/1082941486.db2.gz OQIWRHDRBJXBSN-UHFFFAOYSA-N 0 1 360.807 4.421 20 30 FIEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000431181320 1083394774 /nfs/dbraw/zinc/39/47/74/1083394774.db2.gz JQEDGUTXKLUHFW-UHFFFAOYSA-N 0 1 356.834 4.474 20 30 FIEDMN Cc1cc([C@@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)s1 ZINC000179374211 1083434936 /nfs/dbraw/zinc/43/49/36/1083434936.db2.gz YRXSADRDGARIES-VXGBXAGGSA-N 0 1 373.547 4.465 20 30 FIEDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1OC(F)F ZINC000179714151 1083608704 /nfs/dbraw/zinc/60/87/04/1083608704.db2.gz KTVMBMPTTSVXFN-XJKSGUPXSA-N 0 1 373.403 4.228 20 30 FIEDMN CN(C)Cc1cc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)ccc1F ZINC000569737570 1083642236 /nfs/dbraw/zinc/64/22/36/1083642236.db2.gz OIQOHCOBSDMIAQ-UHFFFAOYSA-N 0 1 364.424 4.405 20 30 FIEDMN N#CC(C(=O)C=Cc1ccc(Cl)nc1)c1nc(-c2ccncc2)cs1 ZINC000179808246 1083650450 /nfs/dbraw/zinc/65/04/50/1083650450.db2.gz HXHCACMRUGFKFO-YOUVMVQBSA-N 0 1 366.833 4.143 20 30 FIEDMN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179850126 1083710140 /nfs/dbraw/zinc/71/01/40/1083710140.db2.gz ZVWGFNLJGGEMHA-UHFFFAOYSA-N 0 1 370.359 4.168 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(COCc3ccccc3)cc2)cc1O ZINC000188535192 1083794323 /nfs/dbraw/zinc/79/43/23/1083794323.db2.gz UZRVHJPFPRFRAP-UHFFFAOYSA-N 0 1 358.397 4.233 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1O ZINC000188579164 1083874049 /nfs/dbraw/zinc/87/40/49/1083874049.db2.gz CLRDIUOYSMITHR-UHFFFAOYSA-N 0 1 365.776 4.357 20 30 FIEDMN CCS(=O)(=O)Nc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000255430276 1083992594 /nfs/dbraw/zinc/99/25/94/1083992594.db2.gz JGFVIKLJESTDRW-UHFFFAOYSA-N 0 1 373.261 4.211 20 30 FIEDMN Cc1c(COc2ccccc2)cccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188607267 1084268464 /nfs/dbraw/zinc/26/84/64/1084268464.db2.gz BYILCWJJMLICRS-UHFFFAOYSA-N 0 1 358.397 4.404 20 30 FIEDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1CCC(C#N)CC1 ZINC001167511821 1084365389 /nfs/dbraw/zinc/36/53/89/1084365389.db2.gz ACGWXNUPZOYMLV-UHFFFAOYSA-N 0 1 351.288 4.307 20 30 FIEDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1CCC(C#N)CC1 ZINC001167511821 1084365400 /nfs/dbraw/zinc/36/54/00/1084365400.db2.gz ACGWXNUPZOYMLV-UHFFFAOYSA-N 0 1 351.288 4.307 20 30 FIEDMN CCN(Cc1c(C)nn(-c2ccccn2)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000580221707 1084387669 /nfs/dbraw/zinc/38/76/69/1084387669.db2.gz XLVPCBBNBZRNIN-QGZVFWFLSA-N 0 1 359.477 4.339 20 30 FIEDMN Cc1cccc2c1ncc(C#N)c2N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000613185795 1084436740 /nfs/dbraw/zinc/43/67/40/1084436740.db2.gz QUZDXKRXOLSDPH-INIZCTEOSA-N 0 1 362.502 4.360 20 30 FIEDMN C=CCOc1c(Br)cc(CNC(C)(C)CF)cc1OCC ZINC000472145898 1084534246 /nfs/dbraw/zinc/53/42/46/1084534246.db2.gz OATIRYLGCGDFMF-UHFFFAOYSA-N 0 1 360.267 4.250 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)C=Cc3ccco3)n2)cc1 ZINC000066544161 1084639278 /nfs/dbraw/zinc/63/92/78/1084639278.db2.gz ONWRTQBAUFFRHZ-ROJDOSBLSA-N 0 1 350.399 4.301 20 30 FIEDMN N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000024154205 1084656581 /nfs/dbraw/zinc/65/65/81/1084656581.db2.gz NMKVEDRFQBBWQG-LJQANCHMSA-N 0 1 370.840 4.369 20 30 FIEDMN Cc1ccc(C)c(OCCCCC(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000119904972 1084700838 /nfs/dbraw/zinc/70/08/38/1084700838.db2.gz YJDJFPZIGWSOLB-LJQANCHMSA-N 0 1 364.445 4.200 20 30 FIEDMN Cc1oc(NC(=O)CNC2(c3ccc(Cl)cc3)CCC2)c(C#N)c1C ZINC000119974897 1084754026 /nfs/dbraw/zinc/75/40/26/1084754026.db2.gz BYUMWBBTLWFYQE-UHFFFAOYSA-N 0 1 357.841 4.029 20 30 FIEDMN COc1cccc(OCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000051534971 1084786650 /nfs/dbraw/zinc/78/66/50/1084786650.db2.gz LCXWIWNCYWDULW-KRWDZBQOSA-N 0 1 364.426 4.074 20 30 FIEDMN C[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(C#N)cc1 ZINC000540918497 1084849664 /nfs/dbraw/zinc/84/96/64/1084849664.db2.gz KURGHOMPRXRTEI-KZULUSFZSA-N 0 1 374.271 4.321 20 30 FIEDMN N#Cc1ccc2ncc(CN3CCC[C@H]3Cc3ccccc3Cl)n2c1 ZINC000511110575 1084946501 /nfs/dbraw/zinc/94/65/01/1084946501.db2.gz VPGFLHLCSWJCAO-KRWDZBQOSA-N 0 1 350.853 4.066 20 30 FIEDMN CCN(CC(=O)Nc1ccccc1SCC#N)[C@H](C)Cc1ccsc1 ZINC000187800927 1085028235 /nfs/dbraw/zinc/02/82/35/1085028235.db2.gz VSXGHQIWHPIXJF-OAHLLOKOSA-N 0 1 373.547 4.255 20 30 FIEDMN Cc1[nH]nc2cc(NC(=O)c3ccc(COc4ccccc4C#N)o3)ccc12 ZINC000180337110 1085065722 /nfs/dbraw/zinc/06/57/22/1085065722.db2.gz XMRWZNAIKNHHKT-UHFFFAOYSA-N 0 1 372.384 4.167 20 30 FIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C(C)(C)CC)cc2)n1 ZINC000511883316 1085299616 /nfs/dbraw/zinc/29/96/16/1085299616.db2.gz DICHOVWASYWUQI-OAHLLOKOSA-N 0 1 370.474 4.497 20 30 FIEDMN Cc1sc(NC(=O)CN[C@H](C)c2ccc(C3CC3)cc2)c(C#N)c1C ZINC000582775762 1085709107 /nfs/dbraw/zinc/70/91/07/1085709107.db2.gz FNTFUOSRSPJMPG-CYBMUJFWSA-N 0 1 353.491 4.403 20 30 FIEDMN COc1ccc(Cl)cc1CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000120006219 1085782380 /nfs/dbraw/zinc/78/23/80/1085782380.db2.gz SYUNDZTXLCVPCO-UHFFFAOYSA-N 0 1 374.868 4.330 20 30 FIEDMN N#Cc1cccc(OC2CCN(Cc3ccc(F)c4cccnc34)CC2)c1 ZINC000104712870 1085823538 /nfs/dbraw/zinc/82/35/38/1085823538.db2.gz HXDPJAUENVUJJS-UHFFFAOYSA-N 0 1 361.420 4.289 20 30 FIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnn(-c3ccc(F)cc3)c2)s1 ZINC000647264670 1085856312 /nfs/dbraw/zinc/85/63/12/1085856312.db2.gz LPYOEHCCHWIFSE-HNNXBMFYSA-N 0 1 368.437 4.255 20 30 FIEDMN Fc1ccccc1-c1n[nH]cc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000237880932 1085963790 /nfs/dbraw/zinc/96/37/90/1085963790.db2.gz NTHYMKVOPHXESU-UHFFFAOYSA-N 0 1 373.353 4.376 20 30 FIEDMN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn[nH]c1C1CC1 ZINC000190284280 1086213412 /nfs/dbraw/zinc/21/34/12/1086213412.db2.gz SABNOEJIRQUYJH-UHFFFAOYSA-N 0 1 372.428 4.299 20 30 FIEDMN CC(C)(C)OC(=O)N1CCN(Cc2cccc(C#N)c2)C2(CCCCC2)C1 ZINC001167799160 1086432195 /nfs/dbraw/zinc/43/21/95/1086432195.db2.gz UEDOIKHKMBUJEU-UHFFFAOYSA-N 0 1 369.509 4.314 20 30 FIEDMN N#CC(C(=O)c1cncc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 ZINC000685146086 1086742724 /nfs/dbraw/zinc/74/27/24/1086742724.db2.gz JCQAINQIVCHPBQ-LLVKDONJSA-N 0 1 365.311 4.339 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2cnc3c(cnn3C(C)C)c2)n1 ZINC000080459228 1086744884 /nfs/dbraw/zinc/74/48/84/1086744884.db2.gz STBDCKRVEQHOBY-CQSZACIVSA-N 0 1 353.451 4.082 20 30 FIEDMN C=CCC(CC=C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245667689 1086821435 /nfs/dbraw/zinc/82/14/35/1086821435.db2.gz HKPZCXCFPPNPEX-VQIMIIECSA-N 0 1 364.892 4.357 20 30 FIEDMN C=CCC(CC=C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245667689 1086821449 /nfs/dbraw/zinc/82/14/49/1086821449.db2.gz HKPZCXCFPPNPEX-VQIMIIECSA-N 0 1 364.892 4.357 20 30 FIEDMN C=C(C)CN(CCOc1ccccc1C(F)(F)F)Cc1ccc(CO)o1 ZINC000512162038 1086861399 /nfs/dbraw/zinc/86/13/99/1086861399.db2.gz AAZPIWCQXBDUQI-UHFFFAOYSA-N 0 1 369.383 4.248 20 30 FIEDMN C=CCC[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000583881035 1087010069 /nfs/dbraw/zinc/01/00/69/1087010069.db2.gz QCGZLZGEKIQZDJ-GUYCJALGSA-N 0 1 365.399 4.431 20 30 FIEDMN C[C@@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000472309568 1087124441 /nfs/dbraw/zinc/12/44/41/1087124441.db2.gz CDTSSQNCBBVWQP-NVXWUHKLSA-N 0 1 367.880 4.103 20 30 FIEDMN C=C[C@@H](CC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000536205867 1087146620 /nfs/dbraw/zinc/14/66/20/1087146620.db2.gz ZGXSGLFVAGKQAP-IRLDBZIGSA-N 0 1 362.517 4.469 20 30 FIEDMN Cc1nc([C@@H]2CCCN(C(=O)N[C@H]3CCc4c3cccc4O)C2)sc1C ZINC000329691061 1087192971 /nfs/dbraw/zinc/19/29/71/1087192971.db2.gz DJYKHVKJVXFWJV-PBHICJAKSA-N 0 1 371.506 4.246 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN(c4nc5c(cc4C#N)CCCC5)C3)[nH]c2c1 ZINC000584204862 1087217772 /nfs/dbraw/zinc/21/77/72/1087217772.db2.gz FZKRSHYTVKIYAB-QGZVFWFLSA-N 0 1 371.488 4.401 20 30 FIEDMN Cc1cc(N2CCOCC2)ccc1NC([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329816806 1087420065 /nfs/dbraw/zinc/42/00/65/1087420065.db2.gz WGBBXNFKWHXLCU-RCCFBDPRSA-N 0 1 357.498 4.126 20 30 FIEDMN N#Cc1ccc(CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)s1 ZINC000180583951 1087972708 /nfs/dbraw/zinc/97/27/08/1087972708.db2.gz NRCZRWFNZQKYLZ-LJQANCHMSA-N 0 1 354.500 4.417 20 30 FIEDMN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Cl)nc2)ccc1OC ZINC000180815191 1088095578 /nfs/dbraw/zinc/09/55/78/1088095578.db2.gz FKAMQVFDAGCBSQ-CJNGLKHVSA-N 0 1 359.857 4.275 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CC2)n1 ZINC000659115391 1088123675 /nfs/dbraw/zinc/12/36/75/1088123675.db2.gz XELUPGSZXAMAGG-ZDUSSCGKSA-N 0 1 366.446 4.147 20 30 FIEDMN CCCO[C@@H]1CCCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181105226 1088251896 /nfs/dbraw/zinc/25/18/96/1088251896.db2.gz LEAVFYQZBOYCLJ-MRXNPFEDSA-N 0 1 351.288 4.102 20 30 FIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(-c2cccnc2)cc1 ZINC000181279629 1088294745 /nfs/dbraw/zinc/29/47/45/1088294745.db2.gz JWUDUKAHJZZGRL-SJORKVTESA-N 0 1 370.456 4.298 20 30 FIEDMN O=C(Nc1ccccc1)C1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000178664115 1088665133 /nfs/dbraw/zinc/66/51/33/1088665133.db2.gz YLBLPVKMYMVPLC-UHFFFAOYSA-N 0 1 352.865 4.042 20 30 FIEDMN N#CC1(C(=O)Nc2cc(Br)cc(Cl)c2O)CCCCC1 ZINC000408022580 1088859504 /nfs/dbraw/zinc/85/95/04/1088859504.db2.gz NVCFQKCEKFQWAV-UHFFFAOYSA-N 0 1 357.635 4.221 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(Cl)cc(Br)c2)n1 ZINC000156245017 1089147287 /nfs/dbraw/zinc/14/72/87/1089147287.db2.gz IHGWYARTCXGPMJ-LLVKDONJSA-N 0 1 355.644 4.358 20 30 FIEDMN CCN(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)c1ccccc1Cl ZINC000514518401 1089176457 /nfs/dbraw/zinc/17/64/57/1089176457.db2.gz FFGMDGDCGLOQQM-KRWDZBQOSA-N 0 1 373.844 4.010 20 30 FIEDMN C=CCC[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000434992996 1089192504 /nfs/dbraw/zinc/19/25/04/1089192504.db2.gz YLQZQUXPAUUDAU-PMACEKPBSA-N 0 1 367.493 4.423 20 30 FIEDMN CCN(CC)[C@H](CNc1nnc(C)c(C)c1C#N)c1ccccc1Cl ZINC000514693750 1089377659 /nfs/dbraw/zinc/37/76/59/1089377659.db2.gz CRQFOIKPIWYURA-GOSISDBHSA-N 0 1 357.889 4.114 20 30 FIEDMN CC(=Cc1ccc(Oc2cccc(F)c2)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435337401 1089542052 /nfs/dbraw/zinc/54/20/52/1089542052.db2.gz VRPQJMSJRIJSCL-JLHYYAGUSA-N 0 1 361.376 4.442 20 30 FIEDMN CC(=Cc1cccc(OCC2CCCCC2)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340863 1089548247 /nfs/dbraw/zinc/54/82/47/1089548247.db2.gz OECHANBCCRMHJU-PTNGSMBKSA-N 0 1 363.461 4.470 20 30 FIEDMN CC(C)Oc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1C#N ZINC000435353288 1089562078 /nfs/dbraw/zinc/56/20/78/1089562078.db2.gz GGRWHKQDJCYOLK-UHFFFAOYSA-N 0 1 364.380 4.127 20 30 FIEDMN COc1ccccc1[C@@H]1CC[C@@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000515018018 1089723555 /nfs/dbraw/zinc/72/35/55/1089723555.db2.gz FFZAYUHQOJHVOO-UZLBHIALSA-N 0 1 360.461 4.188 20 30 FIEDMN CCC[C@H](NC(=O)CN(CCC)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000515135202 1089818162 /nfs/dbraw/zinc/81/81/62/1089818162.db2.gz ZRHULWCDQPWDHQ-QFIPXVFZSA-N 0 1 363.505 4.428 20 30 FIEDMN C[C@H](NC(=O)CN1CCC(CCC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000563066305 1090980905 /nfs/dbraw/zinc/98/09/05/1090980905.db2.gz MRSUWNJUKHXVTB-ZDUSSCGKSA-N 0 1 368.308 4.186 20 30 FIEDMN CCCN(CCc1cccc(F)c1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000500228973 1091122843 /nfs/dbraw/zinc/12/28/43/1091122843.db2.gz KZLXNSBXJCJJQL-UHFFFAOYSA-N 0 1 373.859 4.244 20 30 FIEDMN N#Cc1ccc2ncc(CNCc3cccc(OCc4ccccc4)c3)n2c1 ZINC000123327398 1091152974 /nfs/dbraw/zinc/15/29/74/1091152974.db2.gz RUEQVBVFNHWQAF-UHFFFAOYSA-N 0 1 368.440 4.075 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)n[nH]2)cc1C ZINC000187235417 1091852981 /nfs/dbraw/zinc/85/29/81/1091852981.db2.gz GYNRVDQATZLELQ-HNNXBMFYSA-N 0 1 355.401 4.060 20 30 FIEDMN Cc1ccc(-c2cc(C(=O)C(C#N)c3nc4ccccc4n3C)n[nH]2)cc1C ZINC000187234983 1091858543 /nfs/dbraw/zinc/85/85/43/1091858543.db2.gz YNJIPELVOBSDLI-MRXNPFEDSA-N 0 1 369.428 4.070 20 30 FIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000520826348 1092285511 /nfs/dbraw/zinc/28/55/11/1092285511.db2.gz OPXWNKWODMFOJF-CYBMUJFWSA-N 0 1 363.442 4.032 20 30 FIEDMN CC1CCN([C@@H](CNC(=O)[C@]2(C#N)CC23CCCC3)c2cccs2)CC1 ZINC000521186518 1092564662 /nfs/dbraw/zinc/56/46/62/1092564662.db2.gz GQXXDXYCZZNHPA-LAUBAEHRSA-N 0 1 371.550 4.111 20 30 FIEDMN CCN(Cc1ccc(OCC(F)(F)F)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000473272199 1092698402 /nfs/dbraw/zinc/69/84/02/1092698402.db2.gz MVSXBTNLFJDOPG-CQSZACIVSA-N 0 1 363.383 4.477 20 30 FIEDMN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000549746693 1092741146 /nfs/dbraw/zinc/74/11/46/1092741146.db2.gz JYAQNWFGMMNLJF-OCCSQVGLSA-N 0 1 354.281 4.336 20 30 FIEDMN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc2ccoc2c1 ZINC000442857071 1092828977 /nfs/dbraw/zinc/82/89/77/1092828977.db2.gz ZVUSBOHWFRFTKI-UHFFFAOYSA-N 0 1 366.320 4.124 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1O ZINC000442855656 1092829160 /nfs/dbraw/zinc/82/91/60/1092829160.db2.gz KDXIPZJHVGJWMJ-UHFFFAOYSA-N 0 1 362.360 4.234 20 30 FIEDMN COc1ccccc1Oc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000442891975 1092847049 /nfs/dbraw/zinc/84/70/49/1092847049.db2.gz CXMAIFNPJGNODG-UHFFFAOYSA-N 0 1 360.369 4.317 20 30 FIEDMN CC(C)NC(=O)Nc1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512613844 1092993708 /nfs/dbraw/zinc/99/37/08/1092993708.db2.gz UEAKSKBRIVONGT-CQSZACIVSA-N 0 1 354.429 4.078 20 30 FIEDMN CNc1ccc(C#N)cc1NS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000439245117 1093220400 /nfs/dbraw/zinc/22/04/00/1093220400.db2.gz HWSPLEBTPZSUBO-UHFFFAOYSA-N 0 1 363.442 4.068 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc(C#N)ccc3Cl)[nH]c2c1 ZINC000509815050 1093425542 /nfs/dbraw/zinc/42/55/42/1093425542.db2.gz XVOTYLHORKKLBW-SFHVURJKSA-N 0 1 364.836 4.374 20 30 FIEDMN Cc1c2ccccc2oc1CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000433320271 1093580478 /nfs/dbraw/zinc/58/04/78/1093580478.db2.gz RNTDAWLGVIJHHG-UHFFFAOYSA-N 0 1 371.444 4.203 20 30 FIEDMN N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000433370239 1093627894 /nfs/dbraw/zinc/62/78/94/1093627894.db2.gz DNLJXTUVXSVQRM-ZDUSSCGKSA-N 0 1 354.360 4.212 20 30 FIEDMN C=C(C)COc1cc(CN[C@@H](CO)c2ccc(Cl)cc2)ccc1OC ZINC000093114342 1093638895 /nfs/dbraw/zinc/63/88/95/1093638895.db2.gz HXXJXENZSNZHHZ-SFHVURJKSA-N 0 1 361.869 4.127 20 30 FIEDMN C=CCc1cc(C(=O)Nc2cc(F)cc(Cl)c2O)cc(OC)c1OC ZINC000474428356 1093778478 /nfs/dbraw/zinc/77/84/78/1093778478.db2.gz STGYROCZIRRZTK-UHFFFAOYSA-N 0 1 365.788 4.183 20 30 FIEDMN COC(=O)c1csc([C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000576417874 1093816240 /nfs/dbraw/zinc/81/62/40/1093816240.db2.gz WPSQSUDPHWYFFC-GFCCVEGCSA-N 0 1 367.392 4.256 20 30 FIEDMN CCCCO[C@@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000729090954 1093928820 /nfs/dbraw/zinc/92/88/20/1093928820.db2.gz VZGUJEJHXYCPEM-NWDGAFQWSA-N 0 1 364.417 4.470 20 30 FIEDMN CCCCO[C@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000729090958 1093929125 /nfs/dbraw/zinc/92/91/25/1093929125.db2.gz VZGUJEJHXYCPEM-VXGBXAGGSA-N 0 1 364.417 4.470 20 30 FIEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000513209005 1094006751 /nfs/dbraw/zinc/00/67/51/1094006751.db2.gz DJWPIOGNKIZUJS-WBVHZDCISA-N 0 1 369.534 4.358 20 30 FIEDMN CC[C@@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1cccc(Cl)c1 ZINC000182602016 1094147159 /nfs/dbraw/zinc/14/71/59/1094147159.db2.gz BGMOXFKLRROXKB-YVEFUNNKSA-N 0 1 359.857 4.489 20 30 FIEDMN Cc1cc(C(=O)C(C#N)c2ccccn2)c2ccc(Br)cc2n1 ZINC000054452512 1094459231 /nfs/dbraw/zinc/45/92/31/1094459231.db2.gz HNWWSAXTTZODCC-HNNXBMFYSA-N 0 1 366.218 4.191 20 30 FIEDMN C[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC12CCC2 ZINC000329161006 1094762659 /nfs/dbraw/zinc/76/26/59/1094762659.db2.gz YRNFGUWSVMGXFL-OAHLLOKOSA-N 0 1 355.482 4.254 20 30 FIEDMN N#CCc1ccc(CN[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000501536219 1094764116 /nfs/dbraw/zinc/76/41/16/1094764116.db2.gz YBXJDJSLZKDWGE-QGZVFWFLSA-N 0 1 357.251 4.129 20 30 FIEDMN O=C(C[C@@H]1CCCC[C@H]1O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000329217731 1094783103 /nfs/dbraw/zinc/78/31/03/1094783103.db2.gz QQPKBODUGYWBMU-QXAKKESOSA-N 0 1 364.917 4.375 20 30 FIEDMN COc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2)cc1OCCCC#N ZINC000609571550 1094824691 /nfs/dbraw/zinc/82/46/91/1094824691.db2.gz QXGBMVVMCSIMQZ-INIZCTEOSA-N 0 1 356.470 4.006 20 30 FIEDMN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000329337647 1094849049 /nfs/dbraw/zinc/84/90/49/1094849049.db2.gz MNZYQHOGSGMFQZ-NEPXVJNWSA-N 0 1 354.498 4.207 20 30 FIEDMN C[C@H]1CC[C@H](NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC000329347191 1094853992 /nfs/dbraw/zinc/85/39/92/1094853992.db2.gz VLFBKVQIPCBBIM-IHRRRGAJSA-N 0 1 358.408 4.032 20 30 FIEDMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)NC3CCCCC3)ccc2NC1=O ZINC000329374356 1094868976 /nfs/dbraw/zinc/86/89/76/1094868976.db2.gz LAKWUXNPXTZHGM-GUYCJALGSA-N 0 1 359.470 4.385 20 30 FIEDMN O=C(Nc1ccccc1F)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000329481331 1094930841 /nfs/dbraw/zinc/93/08/41/1094930841.db2.gz RDGNIPJQRDACTJ-OAHLLOKOSA-N 0 1 371.460 4.417 20 30 FIEDMN Cc1cnc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)s1 ZINC000329491797 1094935899 /nfs/dbraw/zinc/93/58/99/1094935899.db2.gz VSPPOICQSHFPQB-AWEZNQCLSA-N 0 1 374.514 4.042 20 30 FIEDMN Cc1cccc(N(CCC#N)C(=O)CN(Cc2ccccc2)C(C)C)c1C ZINC000501850369 1094967470 /nfs/dbraw/zinc/96/74/70/1094967470.db2.gz NMVUERWGHKMBDP-UHFFFAOYSA-N 0 1 363.505 4.461 20 30 FIEDMN COc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1OC1CCCC1 ZINC000329553506 1094970434 /nfs/dbraw/zinc/97/04/34/1094970434.db2.gz KDFSRCUKDFFPAO-INIZCTEOSA-N 0 1 355.438 4.122 20 30 FIEDMN C=CCN1CC[C@@H](N(Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)C1=O ZINC001168045125 1095025336 /nfs/dbraw/zinc/02/53/36/1095025336.db2.gz XAJROVMGTHYONW-DHIUTWEWSA-N 0 1 360.501 4.271 20 30 FIEDMN O=C(CN1CCC2(C1)CCCCC2)Nc1ccccc1N1CCCC1=O ZINC000329633627 1095033388 /nfs/dbraw/zinc/03/33/88/1095033388.db2.gz WUDIIVZSLUQQJO-UHFFFAOYSA-N 0 1 355.482 4.058 20 30 FIEDMN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@H]1CCCc2[nH]ncc21 ZINC000329818943 1095277311 /nfs/dbraw/zinc/27/73/11/1095277311.db2.gz FZCKHLKWYGWYBK-ISVAXAHUSA-N 0 1 352.221 4.227 20 30 FIEDMN O=C(N[C@@H]1CCCCC12CCCC2)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000329840106 1095288742 /nfs/dbraw/zinc/28/87/42/1095288742.db2.gz WGBMFOAUCACLGE-IAGOWNOFSA-N 0 1 371.529 4.279 20 30 FIEDMN [O-]C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329931719 1095319866 /nfs/dbraw/zinc/31/98/66/1095319866.db2.gz ATGHTTVAHDBZTJ-IFXJQAMLSA-N 0 1 372.900 4.144 20 30 FIEDMN Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+][C@@H]2CCC(C)(C)C2)CC1 ZINC000329961599 1095330167 /nfs/dbraw/zinc/33/01/67/1095330167.db2.gz OSDGVECHDUGIAK-MRXNPFEDSA-N 0 1 354.498 4.474 20 30 FIEDMN C=CCN(C(=O)c1ccc(CN2CCSCC2)cc1)c1ccccc1 ZINC000508454817 1095364649 /nfs/dbraw/zinc/36/46/49/1095364649.db2.gz XUXGRYGAOIONKX-UHFFFAOYSA-N 0 1 352.503 4.068 20 30 FIEDMN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N[C@@H]1CCCc2cn[nH]c21 ZINC000330065235 1095368002 /nfs/dbraw/zinc/36/80/02/1095368002.db2.gz CWRNYDQJHABVBY-OAHLLOKOSA-N 0 1 368.437 4.054 20 30 FIEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC(CCc2ccccc2)CC1 ZINC000330155995 1095396223 /nfs/dbraw/zinc/39/62/23/1095396223.db2.gz YPYRMZMMEQFNHX-IBGZPJMESA-N 0 1 352.482 4.046 20 30 FIEDMN [O-]C(=[NH+][C@@H]1CCC[C@H](c2ccccc2)C1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000330168550 1095400379 /nfs/dbraw/zinc/40/03/79/1095400379.db2.gz CSTMZEOATDGKMQ-GBESFXJTSA-N 0 1 352.482 4.230 20 30 FIEDMN Cc1n[nH]c([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCc4ccc(C(C)C)cc43)C2)n1 ZINC000330244427 1095431030 /nfs/dbraw/zinc/43/10/30/1095431030.db2.gz DDPCBIWQXCXGLA-MJGOQNOKSA-N 0 1 367.497 4.017 20 30 FIEDMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)NC1CCCCCC1 ZINC000330253984 1095437573 /nfs/dbraw/zinc/43/75/73/1095437573.db2.gz JDNKHRDZTXNNTK-MJGOQNOKSA-N 0 1 350.890 4.439 20 30 FIEDMN Cc1csc([C@H](C#N)C(=O)c2cc(F)c(Br)c(Cl)c2)n1 ZINC000513745724 1095462677 /nfs/dbraw/zinc/46/26/77/1095462677.db2.gz FRCWBAZGCGIHET-MRVPVSSYSA-N 0 1 373.634 4.497 20 30 FIEDMN Cc1csc(C(C#N)C(=O)c2cc(F)c(Br)c(Cl)c2)n1 ZINC000513745724 1095462679 /nfs/dbraw/zinc/46/26/79/1095462679.db2.gz FRCWBAZGCGIHET-MRVPVSSYSA-N 0 1 373.634 4.497 20 30 FIEDMN Cc1oc(NC(=O)CN[C@H](C)c2oc3ccccc3c2C)c(C#N)c1C ZINC000183574267 1095673920 /nfs/dbraw/zinc/67/39/20/1095673920.db2.gz QDFBGGDMPNFWGP-CYBMUJFWSA-N 0 1 351.406 4.112 20 30 FIEDMN COc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)ccc1OC(C)C ZINC000522828629 1095752284 /nfs/dbraw/zinc/75/22/84/1095752284.db2.gz RLYRJTSZGOSHRE-OAHLLOKOSA-N 0 1 363.417 4.157 20 30 FIEDMN Cc1cc(C)n(-c2ccc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc2)n1 ZINC000522829528 1095757101 /nfs/dbraw/zinc/75/71/01/1095757101.db2.gz JITXRJDOTSMPIC-SFHVURJKSA-N 0 1 369.428 4.164 20 30 FIEDMN COc1ccc(CN(Cc2ccc(C#N)c(F)c2)CC2CC2)c(OC)c1 ZINC000503207741 1096307960 /nfs/dbraw/zinc/30/79/60/1096307960.db2.gz RQWGVNHFHBPNHJ-UHFFFAOYSA-N 0 1 354.425 4.127 20 30 FIEDMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2C#N)CC1 ZINC000503615658 1096498490 /nfs/dbraw/zinc/49/84/90/1096498490.db2.gz MYYOWVCKHHDNII-HNNXBMFYSA-N 0 1 359.395 4.460 20 30 FIEDMN N#Cc1ccc(C2=CCN(C(=O)c3cn[nH]c3-c3ccccc3F)CC2)cc1 ZINC000503960545 1096614065 /nfs/dbraw/zinc/61/40/65/1096614065.db2.gz IFIWJULNKYQZFB-UHFFFAOYSA-N 0 1 372.403 4.017 20 30 FIEDMN C=CC1CCN(CC(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000532965495 1098633635 /nfs/dbraw/zinc/63/36/35/1098633635.db2.gz FVBUYEHVCAQKOF-UHFFFAOYSA-N 0 1 367.518 4.210 20 30 FIEDMN CCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000515632225 1098778842 /nfs/dbraw/zinc/77/88/42/1098778842.db2.gz NLPJFGLFPIHYLP-UHFFFAOYSA-N 0 1 364.854 4.110 20 30 FIEDMN CCN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H](C)c1ccc(C#N)cc1 ZINC000505789618 1098908500 /nfs/dbraw/zinc/90/85/00/1098908500.db2.gz HODJPQDNAMYHNK-YYWHXJBOSA-N 0 1 353.510 4.122 20 30 FIEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C3(c4cccc(C#N)c4)CC3)[nH]c2c1 ZINC000533256455 1098917449 /nfs/dbraw/zinc/91/74/49/1098917449.db2.gz YYEQOMYQJIIRMZ-FQEVSTJZSA-N 0 1 370.456 4.138 20 30 FIEDMN Cc1ccccc1[C@H](CC(F)(F)F)NCc1cnc2ccc(C#N)cn12 ZINC000515816253 1098957682 /nfs/dbraw/zinc/95/76/82/1098957682.db2.gz PGYMHQDHBYMIOR-KRWDZBQOSA-N 0 1 358.367 4.298 20 30 FIEDMN Cc1ccnc([C@H]2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)c1 ZINC000515865113 1099006934 /nfs/dbraw/zinc/00/69/34/1099006934.db2.gz XHUPTZGXYDUYPD-KRWDZBQOSA-N 0 1 360.379 4.130 20 30 FIEDMN C[C@H](C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000436467581 1099035750 /nfs/dbraw/zinc/03/57/50/1099035750.db2.gz DUFAZBIEVVIJLI-MLUIRONXSA-N 0 1 351.649 4.397 20 30 FIEDMN CCOc1nc2cc(C(=O)C(C#N)c3nc(C(C)C)cs3)ccc2[nH]1 ZINC000436699635 1099233090 /nfs/dbraw/zinc/23/30/90/1099233090.db2.gz VUDPEFMAYWMMKH-GFCCVEGCSA-N 0 1 354.435 4.032 20 30 FIEDMN CCOc1nc2cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)ccc2[nH]1 ZINC000436699635 1099233098 /nfs/dbraw/zinc/23/30/98/1099233098.db2.gz VUDPEFMAYWMMKH-GFCCVEGCSA-N 0 1 354.435 4.032 20 30 FIEDMN C=CCc1cc(OC)cc(CNC2(c3nc(C)cs3)CCCC2)c1O ZINC000179177078 1099438025 /nfs/dbraw/zinc/43/80/25/1099438025.db2.gz VUEXVPZFGNJROH-UHFFFAOYSA-N 0 1 358.507 4.453 20 30 FIEDMN CC[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N(C)Cc1ccccc1 ZINC000516898639 1099923398 /nfs/dbraw/zinc/92/33/98/1099923398.db2.gz YYXGOPJMMREXFM-QHCPKHFHSA-N 0 1 373.500 4.085 20 30 FIEDMN OC[C@@H](CC(F)(F)F)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000533803735 1099960817 /nfs/dbraw/zinc/96/08/17/1099960817.db2.gz ZOYYHRKFEBBFOQ-SNVBAGLBSA-N 0 1 369.227 4.127 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cc1 ZINC000437521890 1099967297 /nfs/dbraw/zinc/96/72/97/1099967297.db2.gz VKNAVYFOPNCXHY-UHFFFAOYSA-N 0 1 365.396 4.263 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)cc1 ZINC000437521890 1099967298 /nfs/dbraw/zinc/96/72/98/1099967298.db2.gz VKNAVYFOPNCXHY-UHFFFAOYSA-N 0 1 365.396 4.263 20 30 FIEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Br)c(C)c3)[nH]c21 ZINC000533869297 1100049202 /nfs/dbraw/zinc/04/92/02/1100049202.db2.gz SKZFDHOLUGOMCP-ZDUSSCGKSA-N 0 1 368.234 4.432 20 30 FIEDMN Cc1ccc(-c2ncccc2NS(=O)(=O)c2cc(C#N)ccc2C)s1 ZINC000437659838 1100076780 /nfs/dbraw/zinc/07/67/80/1100076780.db2.gz YAZMBXNKRVOKGN-UHFFFAOYSA-N 0 1 369.471 4.099 20 30 FIEDMN C=CCN(Cc1ccc(OC[C@@H]2CCCO2)cc1)Cc1cccc(C#N)c1 ZINC000536654780 1100111617 /nfs/dbraw/zinc/11/16/17/1100111617.db2.gz HUEJNIOOCSIRSJ-QHCPKHFHSA-N 0 1 362.473 4.304 20 30 FIEDMN C=CCOc1c(Br)cc(CN[C@@H]2CCC[C@@H]2F)cc1OC ZINC000517249674 1100225501 /nfs/dbraw/zinc/22/55/01/1100225501.db2.gz OQALRVAADHXHHF-UONOGXRCSA-N 0 1 358.251 4.003 20 30 FIEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H](C(C)C)C2)c1C#N ZINC000438491355 1100694434 /nfs/dbraw/zinc/69/44/34/1100694434.db2.gz RJTWTURZACSTLK-QGZVFWFLSA-N 0 1 356.514 4.008 20 30 FIEDMN COc1ccc(C#N)cc1CNC(C)(C)c1ccc(Br)cc1 ZINC000438665544 1100851573 /nfs/dbraw/zinc/85/15/73/1100851573.db2.gz MQAIIJHMFYWBGY-UHFFFAOYSA-N 0 1 359.267 4.354 20 30 FIEDMN N#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1 ZINC000518505974 1101262915 /nfs/dbraw/zinc/26/29/15/1101262915.db2.gz WCCAFXAXYWLWSV-UHFFFAOYSA-N 0 1 356.360 4.493 20 30 FIEDMN C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000439318522 1101330553 /nfs/dbraw/zinc/33/05/53/1101330553.db2.gz PABAXONERWUGNM-APWZRJJASA-N 0 1 358.445 4.376 20 30 FIEDMN C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000439326616 1101347101 /nfs/dbraw/zinc/34/71/01/1101347101.db2.gz JUWMPCVPHIXVGX-JXFKEZNVSA-N 0 1 358.445 4.376 20 30 FIEDMN N#CCCSc1ccccc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000518645433 1101386680 /nfs/dbraw/zinc/38/66/80/1101386680.db2.gz DXXOCTUBMPFTGN-UHFFFAOYSA-N 0 1 370.858 4.286 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](CC)c1ccccc1OC(F)F ZINC000537053258 1101429197 /nfs/dbraw/zinc/42/91/97/1101429197.db2.gz IPOHNVIRIQBMFN-ZBFHGGJFSA-N 0 1 354.441 4.142 20 30 FIEDMN C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537078940 1101444129 /nfs/dbraw/zinc/44/41/29/1101444129.db2.gz XLQMRBCVZNWXSI-CYBMUJFWSA-N 0 1 364.323 4.196 20 30 FIEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458853691 1101648774 /nfs/dbraw/zinc/64/87/74/1101648774.db2.gz WZACCIKSUWOLST-GOSISDBHSA-N 0 1 367.497 4.284 20 30 FIEDMN COc1cc(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)ccc1C#N ZINC000518844322 1101651872 /nfs/dbraw/zinc/65/18/72/1101651872.db2.gz ZIERWALZEZQSQX-INIZCTEOSA-N 0 1 361.367 4.148 20 30 FIEDMN N#Cc1ccc(CN2CCN(C3c4ccccc4-c4ccccc43)CC2)o1 ZINC000506652025 1101685600 /nfs/dbraw/zinc/68/56/00/1101685600.db2.gz DNIBDJZYLLISOM-UHFFFAOYSA-N 0 1 355.441 4.039 20 30 FIEDMN C[C@H](c1ccc(Br)cc1)N1CCN(CCC(C)(C)C#N)CC1 ZINC000537363397 1101697761 /nfs/dbraw/zinc/69/77/61/1101697761.db2.gz PDHRDYDXBRYQPV-OAHLLOKOSA-N 0 1 364.331 4.068 20 30 FIEDMN C[C@H]1CN(Cc2ccc(CNc3c(Cl)cccc3C#N)cc2)C[C@H](C)O1 ZINC000518884677 1101702832 /nfs/dbraw/zinc/70/28/32/1101702832.db2.gz FMVSIGANEJKFSK-HOTGVXAUSA-N 0 1 369.896 4.433 20 30 FIEDMN COc1ccc(OCc2nc(CNCC(C)(C)CCC#N)cs2)cc1 ZINC000519025096 1101842357 /nfs/dbraw/zinc/84/23/57/1101842357.db2.gz FYVMAQYWKSBIPW-UHFFFAOYSA-N 0 1 359.495 4.150 20 30 FIEDMN C[C@H](/N=C\c1cc(Br)cc(Br)c1O)c1ccc[nH]1 ZINC000760229065 1101888397 /nfs/dbraw/zinc/88/83/97/1101888397.db2.gz OERHEONYNRRQEK-FBSVSCPKSA-N 0 1 372.060 4.425 20 30 FIEDMN Cc1nn(-c2ccncc2)cc1C=NNCc1ccc(-c2ccccc2)cc1 ZINC000783848072 1101981703 /nfs/dbraw/zinc/98/17/03/1101981703.db2.gz CXVKJPIKNLRFES-UHFFFAOYSA-N 0 1 367.456 4.366 20 30 FIEDMN CC(C)CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(C#N)cc1 ZINC000610581447 1102128438 /nfs/dbraw/zinc/12/84/38/1102128438.db2.gz CZQPABVWSWGIAJ-UHFFFAOYSA-N 0 1 364.405 4.266 20 30 FIEDMN C=CCC[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1 ZINC000426617781 1102148444 /nfs/dbraw/zinc/14/84/44/1102148444.db2.gz BKKYYBNTDLJRGI-SFTDATJTSA-N 0 1 354.469 4.295 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](c1ncccc1C)C(C)C ZINC000120908058 1102296305 /nfs/dbraw/zinc/29/63/05/1102296305.db2.gz DHSBBFCQYRNRFW-PKOBYXMFSA-N 0 1 371.550 4.342 20 30 FIEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](c1ncccc1C)C(C)C ZINC000120908212 1102297014 /nfs/dbraw/zinc/29/70/14/1102297014.db2.gz DHSBBFCQYRNRFW-HKUYNNGSSA-N 0 1 371.550 4.342 20 30 FIEDMN COc1ccc(CNCc2ccc(C#N)cc2F)cc1OC1CCCC1 ZINC000532569131 1102492176 /nfs/dbraw/zinc/49/21/76/1102492176.db2.gz ZLSFCFGKAUAFKK-UHFFFAOYSA-N 0 1 354.425 4.317 20 30 FIEDMN CC(C)(C)C[N@@H+](CCC#N)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000729467886 1102794597 /nfs/dbraw/zinc/79/45/97/1102794597.db2.gz HLRQKKPDBCTWDH-UHFFFAOYSA-N 0 1 366.461 4.091 20 30 FIEDMN C=C(Br)CNCc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000729681562 1103035191 /nfs/dbraw/zinc/03/51/91/1103035191.db2.gz FTESXHNURROZIE-UHFFFAOYSA-N 0 1 362.267 4.369 20 30 FIEDMN N#Cc1ccc(Nc2cccc(C(=O)Nc3ncc(C(F)(F)F)[nH]3)c2)cc1 ZINC000507027932 1103047186 /nfs/dbraw/zinc/04/71/86/1103047186.db2.gz PJVBAZLSIJHDPA-UHFFFAOYSA-N 0 1 371.322 4.296 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C)c(F)c2)no1 ZINC001211975567 1103132633 /nfs/dbraw/zinc/13/26/33/1103132633.db2.gz KVIYXVOONGDXHG-WMZOPIPTSA-N 0 1 361.461 4.262 20 30 FIEDMN CCCCCCCN1C[C@H](O)C[C@H]1c1nc(-c2cccc(C)c2F)no1 ZINC001211975889 1103136551 /nfs/dbraw/zinc/13/65/51/1103136551.db2.gz SDZIRDSJSRBGIM-WBVHZDCISA-N 0 1 361.461 4.262 20 30 FIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2cc(F)cc(F)c2)no1 ZINC001211976063 1103147696 /nfs/dbraw/zinc/14/76/96/1103147696.db2.gz YFMNKGDALACYJE-IRXDYDNUSA-N 0 1 365.424 4.093 20 30 FIEDMN CN(C)[C@H]1CCOc2c(NC(=O)C[C@H](CC#N)c3ccccc3)cccc21 ZINC000477159683 1103178495 /nfs/dbraw/zinc/17/84/95/1103178495.db2.gz WMPYRUHBXFHVOY-PXNSSMCTSA-N 0 1 363.461 4.098 20 30 FIEDMN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000507375636 1103332637 /nfs/dbraw/zinc/33/26/37/1103332637.db2.gz PJTVNZDMVYDYOF-ZDUSSCGKSA-N 0 1 358.367 4.418 20 30 FIEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000538224505 1104044831 /nfs/dbraw/zinc/04/48/31/1104044831.db2.gz BEUDYLIXYFBBEH-CVEARBPZSA-N 0 1 362.489 4.078 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCC[C@H]3c3ccccc3)C2)n[nH]1 ZINC000328704763 1104541894 /nfs/dbraw/zinc/54/18/94/1104541894.db2.gz OYYFNGQFBFKIHA-CEXWTWQISA-N 0 1 352.482 4.148 20 30 FIEDMN Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCC[C@H]3c3ccccc3)C2)[nH]n1 ZINC000328704763 1104541910 /nfs/dbraw/zinc/54/19/10/1104541910.db2.gz OYYFNGQFBFKIHA-CEXWTWQISA-N 0 1 352.482 4.148 20 30 FIEDMN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@H]3CCc4[nH]nnc4C3)c2)C1 ZINC000328773647 1104555051 /nfs/dbraw/zinc/55/50/51/1104555051.db2.gz KALQMBQUKOPNCF-UWWQBHOKSA-N 0 1 368.481 4.293 20 30 FIEDMN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@H]3CCc4nn[nH]c4C3)c2)C1 ZINC000328773647 1104555061 /nfs/dbraw/zinc/55/50/61/1104555061.db2.gz KALQMBQUKOPNCF-UWWQBHOKSA-N 0 1 368.481 4.293 20 30 FIEDMN C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@H](C2CCOCC2)C1 ZINC000328827621 1104572469 /nfs/dbraw/zinc/57/24/69/1104572469.db2.gz JPTLYCWAFJDBAP-ZFWWWQNUSA-N 0 1 368.424 4.013 20 30 FIEDMN C[C@@H]1CCC[C@H](CC(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)C1 ZINC000328839315 1104574831 /nfs/dbraw/zinc/57/48/31/1104574831.db2.gz OFWMUCJCFLZYBW-MSOLQXFVSA-N 0 1 371.525 4.269 20 30 FIEDMN C[C@H]1CCC[C@H](CC(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)C1 ZINC000328839319 1104575329 /nfs/dbraw/zinc/57/53/29/1104575329.db2.gz OFWMUCJCFLZYBW-ROUUACIJSA-N 0 1 371.525 4.269 20 30 FIEDMN O=C(NCC1(c2cccc(Cl)c2)CCCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000328933503 1104593965 /nfs/dbraw/zinc/59/39/65/1104593965.db2.gz IOMJSTIIKOINDQ-CYBMUJFWSA-N 0 1 358.873 4.032 20 30 FIEDMN O=C(NCC1(c2cccc(Cl)c2)CCCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000328933503 1104593972 /nfs/dbraw/zinc/59/39/72/1104593972.db2.gz IOMJSTIIKOINDQ-CYBMUJFWSA-N 0 1 358.873 4.032 20 30 FIEDMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H]1CC(C)(C)C ZINC000331065548 1104696843 /nfs/dbraw/zinc/69/68/43/1104696843.db2.gz QLMRFTSQBVVDLI-INIZCTEOSA-N 0 1 360.502 4.078 20 30 FIEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@H](CCCC#N)c1ccccc1)C2 ZINC000487405034 1105295531 /nfs/dbraw/zinc/29/55/31/1105295531.db2.gz MCDGRGMAHSCTTP-ZWKOTPCHSA-N 0 1 364.493 4.189 20 30 FIEDMN C=C[C@H]1CCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000428050366 1105355874 /nfs/dbraw/zinc/35/58/74/1105355874.db2.gz BJNJWXBOEBETNU-ZDUSSCGKSA-N 0 1 360.255 4.020 20 30 FIEDMN Cc1cc([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)ccc1F ZINC000451160457 1106951541 /nfs/dbraw/zinc/95/15/41/1106951541.db2.gz HCEBHBMAWFTJPM-CVEARBPZSA-N 0 1 371.431 4.259 20 30 FIEDMN N#Cc1ccc(CN2CCC[C@@]3(CCSC3)C2)c(Br)c1 ZINC000451986965 1107417612 /nfs/dbraw/zinc/41/76/12/1107417612.db2.gz YDVOWNGDCJCDBJ-MRXNPFEDSA-N 0 1 351.313 4.040 20 30 FIEDMN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(Cl)c1OC(C)C ZINC000610124047 1107763701 /nfs/dbraw/zinc/76/37/01/1107763701.db2.gz SJNITYAFAHVGLW-UHFFFAOYSA-N 0 1 364.854 4.108 20 30 FIEDMN N#CC1(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCCCC1 ZINC000106829697 1107815604 /nfs/dbraw/zinc/81/56/04/1107815604.db2.gz DTWLUGIVEMRZCI-UHFFFAOYSA-N 0 1 373.928 4.142 20 30 FIEDMN CC(C)c1nc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n[nH]1 ZINC000428368930 1107998930 /nfs/dbraw/zinc/99/89/30/1107998930.db2.gz IANSUZDUUACXSZ-UHFFFAOYSA-N 0 1 363.440 4.141 20 30 FIEDMN C=C(C)[C@@H](NCCC(=O)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000444636467 1108028951 /nfs/dbraw/zinc/02/89/51/1108028951.db2.gz DIUAIFNKZHSYCB-JOCHJYFZSA-N 0 1 370.443 4.147 20 30 FIEDMN N#Cc1cnc2cc(NCc3ccc(-c4ccnc(F)c4)c(F)c3)c[nH]c1-2 ZINC001168141904 1108133730 /nfs/dbraw/zinc/13/37/30/1108133730.db2.gz IFDPLYXLQMFZLL-UHFFFAOYSA-N 0 1 361.355 4.387 20 30 FIEDMN N#Cc1ccc(CN2CCC(CO)(Cc3ccccc3)CC2)c(Cl)c1 ZINC000444783434 1108186200 /nfs/dbraw/zinc/18/62/00/1108186200.db2.gz KYBMFXKSKHSFBQ-UHFFFAOYSA-N 0 1 354.881 4.029 20 30 FIEDMN COc1ccc(C2(NCC#Cc3cccc(Cl)c3)CCOCC2)cc1F ZINC000444819269 1108209064 /nfs/dbraw/zinc/20/90/64/1108209064.db2.gz YPZYSGZGJIUDOJ-UHFFFAOYSA-N 0 1 373.855 4.135 20 30 FIEDMN COc1cc(CNC(C)(C)c2ccccc2Br)ccc1C#N ZINC000440624919 1108365439 /nfs/dbraw/zinc/36/54/39/1108365439.db2.gz BMJUZYNVDGNUPZ-UHFFFAOYSA-N 0 1 359.267 4.354 20 30 FIEDMN CN(CCC#N)c1ccc(CN[C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000171440450 1108848231 /nfs/dbraw/zinc/84/82/31/1108848231.db2.gz XOMJIMAHJMTHFC-QHCPKHFHSA-N 0 1 356.473 4.311 20 30 FIEDMN N#C[C@H]1CCC[C@@H](NCc2ccc(Cl)cc2I)C1 ZINC000446850268 1109357834 /nfs/dbraw/zinc/35/78/34/1109357834.db2.gz XMZIWESSKHVLIW-GXFFZTMASA-N 0 1 374.653 4.117 20 30 FIEDMN C=CCOc1ccc(CN2CCC(Oc3ccncc3C)CC2)cc1OC ZINC000447077725 1109437347 /nfs/dbraw/zinc/43/73/47/1109437347.db2.gz ORFAYFOYHSXDOX-UHFFFAOYSA-N 0 1 368.477 4.007 20 30 FIEDMN CC[C@H](N[C@H](CO)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000447589328 1109588832 /nfs/dbraw/zinc/58/88/32/1109588832.db2.gz XMWGJRKEHNLQFY-ZWKOTPCHSA-N 0 1 359.267 4.095 20 30 FIEDMN CCN([C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447855813 1109660229 /nfs/dbraw/zinc/66/02/29/1109660229.db2.gz VBZPTSGMGFPEQW-HTAPYJJXSA-N 0 1 372.472 4.008 20 30 FIEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)C2 ZINC000527007315 1109665328 /nfs/dbraw/zinc/66/53/28/1109665328.db2.gz WKXSCHQWBCDZDZ-HOKUHMFPSA-N 0 1 370.541 4.253 20 30 FIEDMN C[C@H](N[C@H](c1ccccn1)C1CCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000528654316 1110063168 /nfs/dbraw/zinc/06/31/68/1110063168.db2.gz BOOKBQBEVOBQSS-DJJJIMSYSA-N 0 1 368.868 4.065 20 30 FIEDMN COc1ccc([C@H](C)NCc2ccc(C#N)cc2C(F)(F)F)c(OC)c1 ZINC000528672027 1110071311 /nfs/dbraw/zinc/07/13/11/1110071311.db2.gz XXCFRDKBEIBABJ-LBPRGKRZSA-N 0 1 364.367 4.445 20 30 FIEDMN C=CCOc1cccc(CN[C@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000449439930 1110080465 /nfs/dbraw/zinc/08/04/65/1110080465.db2.gz XKLRUEDWKAAIJU-LJQANCHMSA-N 0 1 365.395 4.484 20 30 FIEDMN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCC12CC2 ZINC000528915379 1110149452 /nfs/dbraw/zinc/14/94/52/1110149452.db2.gz CSCOGWVEFBHFMQ-VXGBXAGGSA-N 0 1 351.233 4.221 20 30 FIEDMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000528921906 1110152410 /nfs/dbraw/zinc/15/24/10/1110152410.db2.gz WOWQDLUVFQMWIT-XWIOLROMSA-N 0 1 374.440 4.418 20 30 FIEDMN C=CCC1(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)CCCC1 ZINC000449827668 1110181994 /nfs/dbraw/zinc/18/19/94/1110181994.db2.gz IQVINFGQISJQQH-UHFFFAOYSA-N 0 1 364.493 4.314 20 30 FIEDMN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441395868 1110239961 /nfs/dbraw/zinc/23/99/61/1110239961.db2.gz AYLNFKOYJKQQNG-AWEZNQCLSA-N 0 1 366.852 4.325 20 30 FIEDMN C[C@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1cccc(C#N)c1 ZINC000538397525 1111115512 /nfs/dbraw/zinc/11/55/12/1111115512.db2.gz KSIGBTDKIKTEMY-INIZCTEOSA-N 0 1 356.429 4.056 20 30 FIEDMN C[C@H](NCc1ccccc1OCC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000538507843 1111173639 /nfs/dbraw/zinc/17/36/39/1111173639.db2.gz HNZPOPBKPWWUDR-LBPRGKRZSA-N 0 1 352.331 4.489 20 30 FIEDMN N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000538668264 1111240021 /nfs/dbraw/zinc/24/00/21/1111240021.db2.gz TZHLSWWIBCPDLA-KRWDZBQOSA-N 0 1 367.472 4.243 20 30 FIEDMN N#Cc1ccc(F)c(CN2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000538668264 1111240023 /nfs/dbraw/zinc/24/00/23/1111240023.db2.gz TZHLSWWIBCPDLA-KRWDZBQOSA-N 0 1 367.472 4.243 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(Cl)c(C#N)c3)[nH]c2c1 ZINC000538684797 1111252910 /nfs/dbraw/zinc/25/29/10/1111252910.db2.gz SNXWNAUNRLZZJR-GOSISDBHSA-N 0 1 364.836 4.374 20 30 FIEDMN N#Cc1csc(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 ZINC000538739082 1111272227 /nfs/dbraw/zinc/27/22/27/1111272227.db2.gz ZNYOGIBCVIXFAA-SFHVURJKSA-N 0 1 371.893 4.221 20 30 FIEDMN COc1ccc2nc(C)cc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)c2c1 ZINC000538766307 1111291653 /nfs/dbraw/zinc/29/16/53/1111291653.db2.gz KNHVJSRQUDQWFO-QGZVFWFLSA-N 0 1 370.412 4.227 20 30 FIEDMN C[C@@H](C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cccc(C#N)c1 ZINC000461925236 1111414150 /nfs/dbraw/zinc/41/41/50/1111414150.db2.gz CAVFIOHOWBSQIJ-BFUOFWGJSA-N 0 1 360.417 4.028 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H](C)c4cccc(C#N)c4)C3)[nH]c2c1 ZINC000462012247 1111463843 /nfs/dbraw/zinc/46/38/43/1111463843.db2.gz CENFJMPOEHJPAS-LPHOPBHVSA-N 0 1 372.472 4.253 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H](C)c3cccc(C#N)c3)[nH]c2c1 ZINC000462021816 1111466708 /nfs/dbraw/zinc/46/67/08/1111466708.db2.gz CERNETQUVCXYLN-MGPUTAFESA-N 0 1 358.445 4.210 20 30 FIEDMN Cc1c(NS(=O)(=O)c2cc(C#N)ccc2Cl)cccc1C(F)(F)F ZINC000479521367 1112059069 /nfs/dbraw/zinc/05/90/69/1112059069.db2.gz DBAXDHAOSQUVLB-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN C=CCCc1ccccc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000554576553 1112405590 /nfs/dbraw/zinc/40/55/90/1112405590.db2.gz YXPTYJJRKZKQEV-KRWDZBQOSA-N 0 1 365.481 4.212 20 30 FIEDMN C[C@@H](NCC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccc(C#N)cc1 ZINC000554841029 1112517649 /nfs/dbraw/zinc/51/76/49/1112517649.db2.gz MUYKQSFAYBUYBU-HZPDHXFCSA-N 0 1 365.502 4.126 20 30 FIEDMN CCS[C@H]1CCCCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000480885951 1112646344 /nfs/dbraw/zinc/64/63/44/1112646344.db2.gz SBLXPUDPHSMDBQ-FQEVSTJZSA-N 0 1 373.566 4.158 20 30 FIEDMN N#CC1(c2ccc(CN3CCN(c4cccc5[nH]ccc54)CC3)cc2)CC1 ZINC000600203868 1112927174 /nfs/dbraw/zinc/92/71/74/1112927174.db2.gz MKEVCIYWMGBTGS-UHFFFAOYSA-N 0 1 356.473 4.045 20 30 FIEDMN Cc1nn(-c2ccccc2)c(C)c1CN1CCc2c(CC#N)cccc2C1 ZINC000600214396 1112930284 /nfs/dbraw/zinc/93/02/84/1112930284.db2.gz PWOCMNMSPKTMMI-UHFFFAOYSA-N 0 1 356.473 4.114 20 30 FIEDMN CN(CCCOc1ccc(C#N)cc1)Cc1csc(Br)c1 ZINC000042254964 1112949020 /nfs/dbraw/zinc/94/90/20/1112949020.db2.gz DUVGIKQUYNONKY-UHFFFAOYSA-N 0 1 365.296 4.283 20 30 FIEDMN C=C(C)[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000481623446 1112999441 /nfs/dbraw/zinc/99/94/41/1112999441.db2.gz SCISKHNGQFNZQL-HXUWFJFHSA-N 0 1 355.388 4.072 20 30 FIEDMN CC[C@H](C)n1ncc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000482582355 1113302849 /nfs/dbraw/zinc/30/28/49/1113302849.db2.gz OXTDTZFZZDVPKP-GWCFXTLKSA-N 0 1 350.344 4.066 20 30 FIEDMN CC[C@H](C)n1ncc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000482582355 1113302854 /nfs/dbraw/zinc/30/28/54/1113302854.db2.gz OXTDTZFZZDVPKP-GWCFXTLKSA-N 0 1 350.344 4.066 20 30 FIEDMN N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCc4cn[nH]c43)cc2)cc1 ZINC000482930476 1113402156 /nfs/dbraw/zinc/40/21/56/1113402156.db2.gz QSDSJJWDZCULAX-IBGZPJMESA-N 0 1 373.416 4.273 20 30 FIEDMN C=CCSc1ccccc1C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000486478077 1113578117 /nfs/dbraw/zinc/57/81/17/1113578117.db2.gz JUABMYQRTCYGFJ-UHFFFAOYSA-N 0 1 366.446 4.011 20 30 FIEDMN CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)s1)c1ccccc1Cl ZINC000486624010 1113607533 /nfs/dbraw/zinc/60/75/33/1113607533.db2.gz DABZYZPOTRNXRV-INIZCTEOSA-N 0 1 361.898 4.086 20 30 FIEDMN CN1CCc2ccc(C(=O)C(C#N)c3nc(-c4ccccc4)cs3)cc21 ZINC000570359646 1114056888 /nfs/dbraw/zinc/05/68/88/1114056888.db2.gz IEHVCAFJDMHCCL-QGZVFWFLSA-N 0 1 359.454 4.292 20 30 FIEDMN CC[C@H](C#N)Oc1cc(CNCc2cccc(Cl)c2F)ccc1OC ZINC000150897361 1114160851 /nfs/dbraw/zinc/16/08/51/1114160851.db2.gz FRQMHWABOZMTNA-OAHLLOKOSA-N 0 1 362.832 4.458 20 30 FIEDMN COc1cccc2cc(C(C)=NN=c3[nH]c4cc(F)c(F)cc4[nH]3)oc21 ZINC000912822745 1114215036 /nfs/dbraw/zinc/21/50/36/1114215036.db2.gz LLHQXTBHWSWOEI-UHFFFAOYSA-N 0 1 356.332 4.432 20 30 FIEDMN CCC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(F)cc1F ZINC000571708579 1114493618 /nfs/dbraw/zinc/49/36/18/1114493618.db2.gz JKAOTEQXENPJMX-GOSISDBHSA-N 0 1 363.452 4.080 20 30 FIEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1O ZINC000572056806 1114596248 /nfs/dbraw/zinc/59/62/48/1114596248.db2.gz AQKCWKJHDAOXCU-WBVHZDCISA-N 0 1 374.362 4.323 20 30 FIEDMN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(Oc2cccnc2)cc1 ZINC000588971886 1114683365 /nfs/dbraw/zinc/68/33/65/1114683365.db2.gz LFKZVHJHNJSTGS-MRXNPFEDSA-N 0 1 372.428 4.035 20 30 FIEDMN N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)o1 ZINC000129668174 1114699020 /nfs/dbraw/zinc/69/90/20/1114699020.db2.gz IYBMGYPCWUJMQI-MRVPVSSYSA-N 0 1 357.580 4.201 20 30 FIEDMN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)o1 ZINC000129668174 1114699028 /nfs/dbraw/zinc/69/90/28/1114699028.db2.gz IYBMGYPCWUJMQI-MRVPVSSYSA-N 0 1 357.580 4.201 20 30 FIEDMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1c(F)cc(F)cc1F ZINC000590263374 1114917844 /nfs/dbraw/zinc/91/78/44/1114917844.db2.gz OGZZKOLPCFSJJB-UHFFFAOYSA-N 0 1 373.249 4.063 20 30 FIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000591063303 1115021611 /nfs/dbraw/zinc/02/16/11/1115021611.db2.gz ORJJOUUOKUAPNK-DOTOQJQBSA-N 0 1 357.523 4.141 20 30 FIEDMN C=CCN(Cc1ccc(Cl)s1)C[C@H](O)COCc1cccs1 ZINC000057943855 1115035211 /nfs/dbraw/zinc/03/52/11/1115035211.db2.gz QEJFICXSKFNULF-ZDUSSCGKSA-N 0 1 357.928 4.029 20 30 FIEDMN N#CCn1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc2ccccc21 ZINC000591861689 1115165751 /nfs/dbraw/zinc/16/57/51/1115165751.db2.gz BEKDTNSPYSJXOK-QGZVFWFLSA-N 0 1 350.381 4.203 20 30 FIEDMN N#Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)c(Cl)c1 ZINC000592177820 1115216622 /nfs/dbraw/zinc/21/66/22/1115216622.db2.gz TUIFJANZVRUPAV-HXUWFJFHSA-N 0 1 352.865 4.371 20 30 FIEDMN CC(C)(C)c1cccc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1O ZINC000593211371 1115307176 /nfs/dbraw/zinc/30/71/76/1115307176.db2.gz UEJIFZXQIJWXOG-UHFFFAOYSA-N 0 1 372.490 4.292 20 30 FIEDMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(C)(C)CCC#N ZINC000593405468 1115326872 /nfs/dbraw/zinc/32/68/72/1115326872.db2.gz RTHMQZRKXZLVRC-IPMKNSEASA-N 0 1 370.541 4.009 20 30 FIEDMN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(C)(C)CCC#N ZINC000593405468 1115326875 /nfs/dbraw/zinc/32/68/75/1115326875.db2.gz RTHMQZRKXZLVRC-IPMKNSEASA-N 0 1 370.541 4.009 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(C(=O)OC(C)(C)C)nc2)n1 ZINC000593462548 1115328481 /nfs/dbraw/zinc/32/84/81/1115328481.db2.gz WNTAJKPYCCJWEB-CYBMUJFWSA-N 0 1 371.462 4.107 20 30 FIEDMN COc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1Br ZINC000093492209 1115341120 /nfs/dbraw/zinc/34/11/20/1115341120.db2.gz DHXSWPJVMSHEKE-SNVBAGLBSA-N 0 1 351.269 4.242 20 30 FIEDMN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(Br)cn1 ZINC000594516740 1115458800 /nfs/dbraw/zinc/45/88/00/1115458800.db2.gz FCYUGLLTMUTZFK-ZDUSSCGKSA-N 0 1 356.267 4.446 20 30 FIEDMN C=C(C)COc1cc(CNC(C)(C)C(=O)Nc2ccccc2)ccc1OC ZINC000594789245 1115481405 /nfs/dbraw/zinc/48/14/05/1115481405.db2.gz SPQUZVAKJXUREQ-UHFFFAOYSA-N 0 1 368.477 4.157 20 30 FIEDMN N#CC1(c2ccc(CN[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2)CC1 ZINC000594918816 1115489755 /nfs/dbraw/zinc/48/97/55/1115489755.db2.gz SRPCDAJCALGHOY-SFTDATJTSA-N 0 1 350.437 4.391 20 30 FIEDMN N#CC1(c2ccc(CNc3ccccc3CN3CCSCC3)cc2)CC1 ZINC000594933876 1115500459 /nfs/dbraw/zinc/50/04/59/1115500459.db2.gz LEQFNVYECSJLGB-UHFFFAOYSA-N 0 1 363.530 4.403 20 30 FIEDMN CC(C)(C)c1ncc(CNC2(c3cccc(C#N)c3)CCOCC2)s1 ZINC000594985112 1115505719 /nfs/dbraw/zinc/50/57/19/1115505719.db2.gz WZILRQVZDYACJB-UHFFFAOYSA-N 0 1 355.507 4.108 20 30 FIEDMN N#C[C@H]1CCC[C@H](NCc2cc(Cl)ccc2I)C1 ZINC000595056701 1115507792 /nfs/dbraw/zinc/50/77/92/1115507792.db2.gz QYVYALBQQKZOLS-GWCFXTLKSA-N 0 1 374.653 4.117 20 30 FIEDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000595042809 1115511771 /nfs/dbraw/zinc/51/17/71/1115511771.db2.gz BXCQVEVQAJQAPH-BFUOFWGJSA-N 0 1 351.406 4.203 20 30 FIEDMN COc1ccccc1-c1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)on1 ZINC000595101386 1115516014 /nfs/dbraw/zinc/51/60/14/1115516014.db2.gz FEFNLPKNKRHHDM-HXUWFJFHSA-N 0 1 359.429 4.389 20 30 FIEDMN C[C@@H](NCc1cccc(COC[C@H]2CCCO2)c1)c1ccc(C#N)cc1F ZINC000595100858 1115516088 /nfs/dbraw/zinc/51/60/88/1115516088.db2.gz BINHJKOHNALPAR-OXQOHEQNSA-N 0 1 368.452 4.244 20 30 FIEDMN C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC1(C#N)CCCCC1 ZINC000595092159 1115517532 /nfs/dbraw/zinc/51/75/32/1115517532.db2.gz YACBLNIQXOCBIW-MRXNPFEDSA-N 0 1 361.917 4.141 20 30 FIEDMN N#CC[C@H]1CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000595621708 1115551588 /nfs/dbraw/zinc/55/15/88/1115551588.db2.gz XSYMFOSLNBCKCS-CQSZACIVSA-N 0 1 371.282 4.032 20 30 FIEDMN CC(C)(NCC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000595636636 1115551916 /nfs/dbraw/zinc/55/19/16/1115551916.db2.gz UCKYZJZXNPMMOW-UHFFFAOYSA-N 0 1 361.367 4.040 20 30 FIEDMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595641008 1115554606 /nfs/dbraw/zinc/55/46/06/1115554606.db2.gz WIXALUVEWZHYLR-OAHLLOKOSA-N 0 1 369.896 4.256 20 30 FIEDMN N#Cc1ccc(CN2CCC([C@H]3CCCCO3)CC2)c(Br)c1 ZINC000595784599 1115563166 /nfs/dbraw/zinc/56/31/66/1115563166.db2.gz SNMHWSOVNUFTEY-GOSISDBHSA-N 0 1 363.299 4.102 20 30 FIEDMN CC(C)[C@@H](O)[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000597226282 1115651011 /nfs/dbraw/zinc/65/10/11/1115651011.db2.gz KSDBXDLTHQMADI-RTBURBONSA-N 0 1 362.395 4.425 20 30 FIEDMN N#Cc1cccc(COc2cccc(CNCc3cccc4c3OCO4)c2)c1 ZINC000060527050 1115660776 /nfs/dbraw/zinc/66/07/76/1115660776.db2.gz BHDYVFRMELYMFV-UHFFFAOYSA-N 0 1 372.424 4.156 20 30 FIEDMN C[C@H]1CC[C@@](C)(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1(C)C ZINC000593349626 1115664374 /nfs/dbraw/zinc/66/43/74/1115664374.db2.gz SAEQRHXLTFZXMG-SBUREZEXSA-N 0 1 367.537 4.101 20 30 FIEDMN CC(C)=CCC[C@@H](C)CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593347810 1115664393 /nfs/dbraw/zinc/66/43/93/1115664393.db2.gz GEKBLADOFONJMN-LJQANCHMSA-N 0 1 367.537 4.411 20 30 FIEDMN N#Cc1cccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000593352329 1115665097 /nfs/dbraw/zinc/66/50/97/1115665097.db2.gz GJWZITYOFPPVHO-UHFFFAOYSA-N 0 1 369.468 4.106 20 30 FIEDMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000597725000 1115682435 /nfs/dbraw/zinc/68/24/35/1115682435.db2.gz KITPYLUBQZKPMG-HXPMCKFVSA-N 0 1 356.857 4.210 20 30 FIEDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000597724999 1115682600 /nfs/dbraw/zinc/68/26/00/1115682600.db2.gz KITPYLUBQZKPMG-CWTRNNRKSA-N 0 1 356.857 4.210 20 30 FIEDMN CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000598603862 1115738383 /nfs/dbraw/zinc/73/83/83/1115738383.db2.gz KSOFWTNNVXLWLE-OAHLLOKOSA-N 0 1 353.293 4.383 20 30 FIEDMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H]1c1cccs1 ZINC000598703161 1115745927 /nfs/dbraw/zinc/74/59/27/1115745927.db2.gz QCMZKHUGCAVNDL-MUZJZNNISA-N 0 1 359.539 4.204 20 30 FIEDMN CCCC[C@H](C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C(C)C ZINC000598743111 1115749782 /nfs/dbraw/zinc/74/97/82/1115749782.db2.gz XNFAGZALOVCZEE-NRFANRHFSA-N 0 1 355.526 4.101 20 30 FIEDMN CC(C)(C)c1ccc(CCCCC(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000170709512 1115754791 /nfs/dbraw/zinc/75/47/91/1115754791.db2.gz UPWATGDYFOLEDL-IBGZPJMESA-N 0 1 354.494 4.028 20 30 FIEDMN CCn1cc(CN(Cc2ccc(C#N)cc2C(F)(F)F)C(C)C)cn1 ZINC000593677174 1115789618 /nfs/dbraw/zinc/78/96/18/1115789618.db2.gz SSGYQCBGSVEDHO-UHFFFAOYSA-N 0 1 350.388 4.204 20 30 FIEDMN CC(C)(C)OC(=O)[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)c2ccccc21 ZINC000593684955 1115792391 /nfs/dbraw/zinc/79/23/91/1115792391.db2.gz ANYOSTOFYBMKDL-AZUAARDMSA-N 0 1 366.436 4.357 20 30 FIEDMN CC(C)(C)OC(=O)[C@H]1C[C@@H](NCc2cc(C#N)cs2)c2ccccc21 ZINC000593692230 1115797427 /nfs/dbraw/zinc/79/74/27/1115797427.db2.gz WCHKATNKHPATKQ-ZWKOTPCHSA-N 0 1 354.475 4.280 20 30 FIEDMN CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000593708855 1115801765 /nfs/dbraw/zinc/80/17/65/1115801765.db2.gz RKNNHRGQVUHWLZ-GOSISDBHSA-N 0 1 366.461 4.314 20 30 FIEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603890216 1115826564 /nfs/dbraw/zinc/82/65/64/1115826564.db2.gz UBLWMRSMHIJMHR-LPHOPBHVSA-N 0 1 372.472 4.246 20 30 FIEDMN CCCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000599620092 1115830472 /nfs/dbraw/zinc/83/04/72/1115830472.db2.gz UMSFPASMUSYYTM-HNNXBMFYSA-N 0 1 369.465 4.016 20 30 FIEDMN COc1cccc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1Cl ZINC000599628739 1115831990 /nfs/dbraw/zinc/83/19/90/1115831990.db2.gz ALTMIALSYUUFHF-UHFFFAOYSA-N 0 1 356.853 4.016 20 30 FIEDMN N#Cc1cccc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c1 ZINC000603939354 1115832756 /nfs/dbraw/zinc/83/27/56/1115832756.db2.gz JLQZPOVJOUNSTE-UHFFFAOYSA-N 0 1 356.360 4.493 20 30 FIEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1Cl ZINC000603969787 1115834823 /nfs/dbraw/zinc/83/48/23/1115834823.db2.gz NRXNLKPFZXDTDN-UHFFFAOYSA-N 0 1 374.771 4.340 20 30 FIEDMN CC(C)c1nc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)cs1 ZINC000171146173 1115843338 /nfs/dbraw/zinc/84/33/38/1115843338.db2.gz RBUNSQNMVGTKQF-OAHLLOKOSA-N 0 1 363.442 4.381 20 30 FIEDMN COc1ccc(CCCCCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000171365329 1115863958 /nfs/dbraw/zinc/86/39/58/1115863958.db2.gz WFSHEXYEXZJKIG-HXUWFJFHSA-N 0 1 364.445 4.146 20 30 FIEDMN CCCCCOc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1OC ZINC000593970953 1115938594 /nfs/dbraw/zinc/93/85/94/1115938594.db2.gz AFQLKJLSNNYTSZ-MRXNPFEDSA-N 0 1 353.466 4.382 20 30 FIEDMN CC[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1F ZINC000594019697 1115962198 /nfs/dbraw/zinc/96/21/98/1115962198.db2.gz RMVXCKBTNZJCHD-YVEFUNNKSA-N 0 1 371.481 4.315 20 30 FIEDMN N#Cc1ccc(CN2CCC(N=Nc3nc4ccccc4s3)CC2)cc1 ZINC000063352862 1116052404 /nfs/dbraw/zinc/05/24/04/1116052404.db2.gz NVMFUGOWJFEVNE-UHFFFAOYSA-N 0 1 361.474 4.232 20 30 FIEDMN CCCc1ncc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000173970455 1116102443 /nfs/dbraw/zinc/10/24/43/1116102443.db2.gz GHHXXQBHEKOHSG-OAHLLOKOSA-N 0 1 363.442 4.210 20 30 FIEDMN COc1ccc(NC(=O)C(C#N)C(=O)CCCC2CCCC2)cc1Cl ZINC000173980432 1116104769 /nfs/dbraw/zinc/10/47/69/1116104769.db2.gz LCYSZTLSUMKQAP-HNNXBMFYSA-N 0 1 362.857 4.356 20 30 FIEDMN CC(C)N(CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000063750764 1116105470 /nfs/dbraw/zinc/10/54/70/1116105470.db2.gz ZMZFQSFYYNURAI-QHCPKHFHSA-N 0 1 361.489 4.036 20 30 FIEDMN FC(F)(F)c1ccc(C#CCN(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000534837559 1116243171 /nfs/dbraw/zinc/24/31/71/1116243171.db2.gz NWZCRDUGIRSUSP-ROUUACIJSA-N 0 1 369.452 4.043 20 30 FIEDMN C=C[C@@H](CC(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000457094099 1116245432 /nfs/dbraw/zinc/24/54/32/1116245432.db2.gz ZIMNMTCWDCBDJA-INIZCTEOSA-N 0 1 368.443 4.222 20 30 FIEDMN C[C@@H](C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cccc(C#N)c1 ZINC000462250874 1116333918 /nfs/dbraw/zinc/33/39/18/1116333918.db2.gz CBAKUZBUOJZXLZ-SNVBAGLBSA-N 0 1 358.323 4.196 20 30 FIEDMN C[C@H](c1ccc(OC(F)F)cc1)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000064138221 1116360220 /nfs/dbraw/zinc/36/02/20/1116360220.db2.gz QRYUOUXRMLNQOY-MRXNPFEDSA-N 0 1 371.431 4.038 20 30 FIEDMN COc1cccc(Oc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2)c1 ZINC000443313354 1117972858 /nfs/dbraw/zinc/97/28/58/1117972858.db2.gz XGZZNMRKLDXVFA-UHFFFAOYSA-N 0 1 360.369 4.317 20 30 FIEDMN C=CCOc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1OC ZINC000506268443 1117989756 /nfs/dbraw/zinc/98/97/56/1117989756.db2.gz JOJVJYIEQWWHPJ-UHFFFAOYSA-N 0 1 351.446 4.255 20 30 FIEDMN CN(Cc1ccccc1)c1ccccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000443347365 1118108709 /nfs/dbraw/zinc/10/87/09/1118108709.db2.gz OLUKJZPMMDPCJV-UHFFFAOYSA-N 0 1 357.413 4.153 20 30 FIEDMN CCOc1cc2c(cc1CN[C@@H](C)c1ccc(C#N)c(F)c1)O[C@H](C)C2 ZINC000540701982 1118192948 /nfs/dbraw/zinc/19/29/48/1118192948.db2.gz NTBUYSJAIJPIPX-KGLIPLIRSA-N 0 1 354.425 4.270 20 30 FIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)c(C#N)c3)[nH]c2c1 ZINC000609123330 1118402361 /nfs/dbraw/zinc/40/23/61/1118402361.db2.gz MXYYEKQMUDDGFK-GOSISDBHSA-N 0 1 363.396 4.251 20 30 FIEDMN C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000090117752 1118425752 /nfs/dbraw/zinc/42/57/52/1118425752.db2.gz BAAMDRPEPJFEAA-GFCCVEGCSA-N 0 1 352.331 4.489 20 30 FIEDMN N#C[C@@H](C(=O)c1c[nH]nc1-c1ccsc1)c1cc(C(F)(F)F)ccn1 ZINC000464415521 1118548536 /nfs/dbraw/zinc/54/85/36/1118548536.db2.gz XSQKAQVESXMBQW-LLVKDONJSA-N 0 1 362.336 4.042 20 30 FIEDMN CC[C@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(Cl)s1 ZINC000541626987 1118588213 /nfs/dbraw/zinc/58/82/13/1118588213.db2.gz KTSYXQLCYHRLDH-LBPRGKRZSA-N 0 1 351.859 4.162 20 30 FIEDMN CC(C)c1ccc([C@@H](NC(=O)CN2CCC(CC#N)CC2)C(C)C)cc1 ZINC000541948188 1118717841 /nfs/dbraw/zinc/71/78/41/1118717841.db2.gz HRAURYUYGCKNON-QFIPXVFZSA-N 0 1 355.526 4.249 20 30 FIEDMN CN(C)C(=O)Sc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000271860900 1118957140 /nfs/dbraw/zinc/95/71/40/1118957140.db2.gz ZMZHTCZKXDGHAB-UHFFFAOYSA-N 0 1 351.475 4.111 20 30 FIEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(C3SCCCS3)cc2)c1 ZINC000176407783 1119007583 /nfs/dbraw/zinc/00/75/83/1119007583.db2.gz CZAWQNLNSOUROA-UHFFFAOYSA-N 0 1 356.472 4.385 20 30 FIEDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000596656679 1119164977 /nfs/dbraw/zinc/16/49/77/1119164977.db2.gz NSDNFEBYTDRDGJ-UHFFFAOYSA-N 0 1 366.461 4.070 20 30 FIEDMN N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000111657404 1119215773 /nfs/dbraw/zinc/21/57/73/1119215773.db2.gz OHCVGDSBHJIMDS-UHFFFAOYSA-N 0 1 370.836 4.037 20 30 FIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)NC(=O)CCS3)n1 ZINC000177762366 1119350411 /nfs/dbraw/zinc/35/04/11/1119350411.db2.gz WQLVCVASJWVRDB-GFCCVEGCSA-N 0 1 371.487 4.191 20 30 FIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C#N)cs2)cc1 ZINC000176461145 1119432400 /nfs/dbraw/zinc/43/24/00/1119432400.db2.gz USCZVTYNLHWHDT-BLLLJJGKSA-N 0 1 351.431 4.094 20 30 FIEDMN C[C@@H](C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)(F)F ZINC000493307179 1119437393 /nfs/dbraw/zinc/43/73/93/1119437393.db2.gz VUMVAJXDOMNENS-IMTBSYHQSA-N 0 1 365.220 4.206 20 30 FIEDMN C=C(C)[C@H](NCc1ccc(-n2cncn2)c(C)c1)c1ccc(F)c(F)c1 ZINC000187375023 1119779801 /nfs/dbraw/zinc/77/98/01/1119779801.db2.gz BDMRCDKSKVIJRE-FQEVSTJZSA-N 0 1 354.404 4.261 20 30 FIEDMN C[C@H](C/N=C\c1c(O)ccc2ccccc21)N1CCc2sccc2C1 ZINC000914701301 1120478439 /nfs/dbraw/zinc/47/84/39/1120478439.db2.gz DYMMOHYFYJHMMT-VUZLNAKASA-N 0 1 350.487 4.473 20 30 FIEDMN C(=NN(Cc1ccccc1)Cc1ccccc1)c1cnc(N2CCCC2)nc1 ZINC000914773452 1120530998 /nfs/dbraw/zinc/53/09/98/1120530998.db2.gz VCLRHBCYHIFPOW-UHFFFAOYSA-N 0 1 371.488 4.113 20 30 FIEDMN COc1ccc(O)c(/C=N/C[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000915113250 1120819677 /nfs/dbraw/zinc/81/96/77/1120819677.db2.gz SIJCIZNALAGKAL-MEGCXXLRSA-N 0 1 358.869 4.310 20 30 FIEDMN COc1cccc(/C=N\C[C@@H](c2cccc(Cl)c2)N2CCCC2)c1O ZINC000915113476 1120820753 /nfs/dbraw/zinc/82/07/53/1120820753.db2.gz WOUDWYNRHRQDTM-FPJJECCMSA-N 0 1 358.869 4.310 20 30 FIEDMN Cc1ccc(CNCc2cnc3ccc(C#N)cn23)c(OCCC(C)C)c1 ZINC000153509111 1120868470 /nfs/dbraw/zinc/86/84/70/1120868470.db2.gz MNHXJMYIFRIAHO-UHFFFAOYSA-N 0 1 362.477 4.229 20 30 FIEDMN CCc1ccc([C@H](C)NCc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000915215588 1120872066 /nfs/dbraw/zinc/87/20/66/1120872066.db2.gz YTIULYCJYGIIJO-HNAYVOBHSA-N 0 1 370.456 4.137 20 30 FIEDMN C[C@H](C/N=C\c1c(O)ccc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000915271437 1120904507 /nfs/dbraw/zinc/90/45/07/1120904507.db2.gz VCRFZQOEMWBIFB-ZZMKYJANSA-N 0 1 373.500 4.175 20 30 FIEDMN C#Cc1cccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000915339678 1120925568 /nfs/dbraw/zinc/92/55/68/1120925568.db2.gz CPXSBVOLYUUJKH-HXUWFJFHSA-N 0 1 367.880 4.280 20 30 FIEDMN C=CCN(C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000763092094 1121113601 /nfs/dbraw/zinc/11/36/01/1121113601.db2.gz PRIDQMYJWSHGQN-QAPCUYQASA-N 0 1 367.896 4.078 20 30 FIEDMN C=CCN(C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000763092097 1121113801 /nfs/dbraw/zinc/11/38/01/1121113801.db2.gz PRIDQMYJWSHGQN-YJBOKZPZSA-N 0 1 367.896 4.078 20 30 FIEDMN Oc1c(Cl)cc(Cl)cc1/C=N\C1CCN(c2ccccn2)CC1 ZINC000915979195 1121360269 /nfs/dbraw/zinc/36/02/69/1121360269.db2.gz MJLUGIGURQYHAY-NHDPSOOVSA-N 0 1 350.249 4.182 20 30 FIEDMN CC(=NNCc1ccc(F)c(F)c1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000915977160 1121360527 /nfs/dbraw/zinc/36/05/27/1121360527.db2.gz VOVFKWPTXYELRG-UHFFFAOYSA-N 0 1 373.447 4.170 20 30 FIEDMN COC(=O)c1ccc(-c2ccc(C=NNc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000916250132 1121457640 /nfs/dbraw/zinc/45/76/40/1121457640.db2.gz LYFJGJUJLDJXNK-UHFFFAOYSA-N 0 1 365.345 4.087 20 30 FIEDMN Ic1ccccc1CN=Nc1ccc2ccccc2n1 ZINC000916286500 1121464317 /nfs/dbraw/zinc/46/43/17/1121464317.db2.gz IWXAPBJWBHEIOY-UHFFFAOYSA-N 0 1 373.197 4.285 20 30 FIEDMN Cc1ccc(CN(CC(=O)N(CCC#N)c2ccccc2)C(C)C)s1 ZINC000065162252 1121660097 /nfs/dbraw/zinc/66/00/97/1121660097.db2.gz NBLCQSAXYHJVQG-UHFFFAOYSA-N 0 1 355.507 4.214 20 30 FIEDMN Cc1cc(NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc(C#N)n1 ZINC000553145411 1121672171 /nfs/dbraw/zinc/67/21/71/1121672171.db2.gz VVEDPXMJIDBQRV-LIRRHRJNSA-N 0 1 358.848 4.159 20 30 FIEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)Sc1ccccc1Cl ZINC000916875179 1121905623 /nfs/dbraw/zinc/90/56/23/1121905623.db2.gz VFPYGZRZYKAVBH-UONOGXRCSA-N 0 1 366.914 4.226 20 30 FIEDMN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000916894880 1121924201 /nfs/dbraw/zinc/92/42/01/1121924201.db2.gz BKJDJRKYOSWGSF-LPHOPBHVSA-N 0 1 370.493 4.044 20 30 FIEDMN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000916911360 1121932028 /nfs/dbraw/zinc/93/20/28/1121932028.db2.gz ABRGELWENWRWIJ-SQWLQELKSA-N 0 1 366.383 4.265 20 30 FIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccccc3OC)n2)cc1 ZINC000066544525 1122072626 /nfs/dbraw/zinc/07/26/26/1122072626.db2.gz LIHWPUUPTCGSQM-INIZCTEOSA-N 0 1 364.426 4.317 20 30 FIEDMN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OC)n2)cc1 ZINC000066544525 1122072635 /nfs/dbraw/zinc/07/26/35/1122072635.db2.gz LIHWPUUPTCGSQM-INIZCTEOSA-N 0 1 364.426 4.317 20 30 FIEDMN CN(Cc1cccc(C#N)c1)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000054174589 1122160216 /nfs/dbraw/zinc/16/02/16/1122160216.db2.gz ISYSNCZJNSMVMU-UHFFFAOYSA-N 0 1 355.441 4.443 20 30 FIEDMN C=C(C)CN1CCC(NC(=O)CCC(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000106036477 1122183912 /nfs/dbraw/zinc/18/39/12/1122183912.db2.gz DDAPBFJSZNEAQV-UHFFFAOYSA-N 0 1 370.537 4.005 20 30 FIEDMN CC(C)Oc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000056157019 1122295900 /nfs/dbraw/zinc/29/59/00/1122295900.db2.gz GHIPNJDBGSVBNJ-HOTGVXAUSA-N 0 1 351.450 4.023 20 30 FIEDMN CCc1ccc([C@H](C)NC(=O)CN(CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000497609078 1122306577 /nfs/dbraw/zinc/30/65/77/1122306577.db2.gz DKTUPHAPLZMBRE-ROUUACIJSA-N 0 1 363.505 4.381 20 30 FIEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(-c2ccccc2F)s1 ZINC000917556229 1122360205 /nfs/dbraw/zinc/36/02/05/1122360205.db2.gz XMVIJSGDYWHJDK-UHFFFAOYSA-N 0 1 352.398 4.057 20 30 FIEDMN Oc1c(Cl)cc(Cl)cc1C=Nc1cccc(N2CCOCC2)c1 ZINC000917557873 1122361669 /nfs/dbraw/zinc/36/16/69/1122361669.db2.gz DPJVIHURIUVCML-UHFFFAOYSA-N 0 1 351.233 4.286 20 30 FIEDMN COc1ccc(C[C@H](NC[C@H](C#N)CCC#N)c2ccc(OC)cc2)cc1 ZINC000556706408 1123048687 /nfs/dbraw/zinc/04/86/87/1123048687.db2.gz UYHYCOXEQIXDQM-AVRDEDQJSA-N 0 1 363.461 4.021 20 30 FIEDMN CC[C@H](Cc1ccccc1)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000072687999 1123123951 /nfs/dbraw/zinc/12/39/51/1123123951.db2.gz VWZCTNXJWNQCCL-GOSISDBHSA-N 0 1 367.518 4.194 20 30 FIEDMN COc1cc(/C=C2/COc3ccc(C(C)C)cc3C2=O)cc([N+](=O)[O-])c1O ZINC000920069065 1123337020 /nfs/dbraw/zinc/33/70/20/1123337020.db2.gz ZVZONWHLJGWVIU-NSIKDUERSA-N 0 1 369.373 4.091 20 30 FIEDMN COc1cc(/C=C\C(=O)c2c[nH]c3cc(Cl)ccc32)cc([N+](=O)[O-])c1O ZINC000920068999 1123337043 /nfs/dbraw/zinc/33/70/43/1123337043.db2.gz XSNIXEFCANPUBK-DJWKRKHSSA-N 0 1 372.764 4.340 20 30 FIEDMN N#Cc1ccccc1-c1ccc(COC(=O)Cc2[nH]nc3ccccc32)cc1 ZINC000920262476 1123432683 /nfs/dbraw/zinc/43/26/83/1123432683.db2.gz UDRJHBZGWWGZTQ-UHFFFAOYSA-N 0 1 367.408 4.387 20 30 FIEDMN Clc1ccc(N=NC2CCSc3ccc(Br)cc32)nn1 ZINC000920359125 1123447246 /nfs/dbraw/zinc/44/72/46/1123447246.db2.gz STWAFBPZRVNWRV-UHFFFAOYSA-N 0 1 369.675 4.205 20 30 FIEDMN COc1ccc(O)c(/C=N\C[C@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000920945265 1123540157 /nfs/dbraw/zinc/54/01/57/1123540157.db2.gz UEUHOCLIMROLHE-UUMRFZBWSA-N 0 1 358.869 4.310 20 30 FIEDMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000076068592 1123560752 /nfs/dbraw/zinc/56/07/52/1123560752.db2.gz SOPWKFBBLLAIHX-RTBURBONSA-N 0 1 373.566 4.156 20 30 FIEDMN CCOc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000236938364 1123585250 /nfs/dbraw/zinc/58/52/50/1123585250.db2.gz BSCVSJUZGBJIJV-UHFFFAOYSA-N 0 1 363.379 4.254 20 30 FIEDMN COc1cc(C)c(CNCC#Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000237285404 1123614942 /nfs/dbraw/zinc/61/49/42/1123614942.db2.gz JIXIRTWDBYJIEA-UHFFFAOYSA-N 0 1 363.379 4.172 20 30 FIEDMN Cc1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1ccccc1C#N ZINC000609447232 1123715952 /nfs/dbraw/zinc/71/59/52/1123715952.db2.gz DLCOIXVIOYODKH-UHFFFAOYSA-N 0 1 364.426 4.460 20 30 FIEDMN N#CC(C(=O)CCC1CCC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000175101561 1123728628 /nfs/dbraw/zinc/72/86/28/1123728628.db2.gz RSGLQBGSPCRASY-AWEZNQCLSA-N 0 1 352.406 4.229 20 30 FIEDMN CCN(C[C@@H](C)C#N)C(=O)[C@@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC000609620080 1123770913 /nfs/dbraw/zinc/77/09/13/1123770913.db2.gz QCJMJXNPFFMORR-WMLDXEAASA-N 0 1 369.431 4.096 20 30 FIEDMN C=CCc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc(OC)c1OC ZINC000078735768 1123805393 /nfs/dbraw/zinc/80/53/93/1123805393.db2.gz MMMOQLFCGGEODP-OAHLLOKOSA-N 0 1 362.385 4.064 20 30 FIEDMN C=CCc1cc(C(=O)C(C#N)c2nc3ccccc3o2)cc(OC)c1OC ZINC000078735768 1123805401 /nfs/dbraw/zinc/80/54/01/1123805401.db2.gz MMMOQLFCGGEODP-OAHLLOKOSA-N 0 1 362.385 4.064 20 30 FIEDMN Cc1ccc(C)c(OC2CCN(CCOc3ccccc3C#N)CC2)c1 ZINC000064632239 1123875893 /nfs/dbraw/zinc/87/58/93/1123875893.db2.gz PIQUNCHFBXLHMV-UHFFFAOYSA-N 0 1 350.462 4.097 20 30 FIEDMN CSc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000609984557 1123907431 /nfs/dbraw/zinc/90/74/31/1123907431.db2.gz NKFQDCMPHXWHFN-UHFFFAOYSA-N 0 1 372.393 4.100 20 30 FIEDMN COc1cc(C#N)ccc1OCCN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000610132975 1123949380 /nfs/dbraw/zinc/94/93/80/1123949380.db2.gz NUGQGTXEECRUON-LJQANCHMSA-N 0 1 368.502 4.044 20 30 FIEDMN CC1=NN(c2ccc(C(=O)C(C#N)c3nc(C(C)C)cs3)cc2)CC1 ZINC000080459728 1123966659 /nfs/dbraw/zinc/96/66/59/1123966659.db2.gz UUIFXDZWUTVTML-INIZCTEOSA-N 0 1 352.463 4.343 20 30 FIEDMN CC(C)(C)CN(CCC#N)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000137323603 1123969105 /nfs/dbraw/zinc/96/91/05/1123969105.db2.gz MVAIGLJLZNGUGP-UHFFFAOYSA-N 0 1 355.404 4.296 20 30 FIEDMN N#Cc1cccc(OCCCCC(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000554031983 1124264217 /nfs/dbraw/zinc/26/42/17/1124264217.db2.gz PJVWSKROKDUGFE-UHFFFAOYSA-N 0 1 362.788 4.244 20 30 FIEDMN CC(=O)c1ccc(C#N)cc1NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000302123706 1124285948 /nfs/dbraw/zinc/28/59/48/1124285948.db2.gz VJJWXDZAYSRKKA-QGZVFWFLSA-N 0 1 353.491 4.146 20 30 FIEDMN CCN(CC(=O)N[C@H]1CCCc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000108718682 1124381149 /nfs/dbraw/zinc/38/11/49/1124381149.db2.gz OUNWEGLKCFIICL-JTSKRJEESA-N 0 1 361.489 4.135 20 30 FIEDMN C=CCC1(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000249428143 1124857386 /nfs/dbraw/zinc/85/73/86/1124857386.db2.gz IDMFCWZIZZFTKJ-CRAIPNDOSA-N 0 1 364.892 4.335 20 30 FIEDMN COC(=O)c1ccc(-c2ccc(CN[C@@H]3CCc4cc(C#N)ccc43)o2)cc1 ZINC000618831508 1125290902 /nfs/dbraw/zinc/29/09/02/1125290902.db2.gz WZCABUZVHVEVNP-OAQYLSRUSA-N 0 1 372.424 4.382 20 30 FIEDMN Cc1[nH]n(-c2cc(C(F)(F)F)ccc2Br)c(=O)c1CCC#N ZINC000601944373 567882293 /nfs/dbraw/zinc/88/22/93/567882293.db2.gz GJDHCOLIRYWSCA-SNVBAGLBSA-N 0 1 374.160 4.110 20 30 FIEDMN C[C@H]1[C@@H](C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)C1(F)F ZINC000461107492 568000117 /nfs/dbraw/zinc/00/01/17/568000117.db2.gz JOMNBKHGZGQCDH-CDUCUWFYSA-N 0 1 369.240 4.057 20 30 FIEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1ccncc1OCCC(C)(C)C ZINC000602662681 568012753 /nfs/dbraw/zinc/01/27/53/568012753.db2.gz QQKGMSGQRSSRKY-KRWDZBQOSA-N 0 1 359.514 4.085 20 30 FIEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(Br)c1Cl ZINC000602695942 568016138 /nfs/dbraw/zinc/01/61/38/568016138.db2.gz PAQPZAHPYICDOS-LBPRGKRZSA-N 0 1 371.706 4.291 20 30 FIEDMN CCN(CCc1ccccc1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000603852177 568166246 /nfs/dbraw/zinc/16/62/46/568166246.db2.gz DRROBSZUUKVJON-UHFFFAOYSA-N 0 1 369.896 4.151 20 30 FIEDMN C=CCN1C(=O)c2ccccc2N[C@@]12CC[N@@H+](Cc1ccccc1)[C@@H](C)C2 ZINC000604414330 568279177 /nfs/dbraw/zinc/27/91/77/568279177.db2.gz KWMOOEMSCPYWFT-MBSDFSHPSA-N 0 1 361.489 4.121 20 30 FIEDMN COc1ccc2c(c1)CCN(Cc1ccc(C#N)cc1C(F)(F)F)CC2 ZINC000569162347 568300995 /nfs/dbraw/zinc/30/09/95/568300995.db2.gz KGMIIDNHQNXRCD-UHFFFAOYSA-N 0 1 360.379 4.186 20 30 FIEDMN COc1ccc(CN[C@@H]2CSCc3ccccc32)cc1OCCCC#N ZINC000604512434 568306608 /nfs/dbraw/zinc/30/66/08/568306608.db2.gz NHJZWAVKFQYOLQ-LJQANCHMSA-N 0 1 368.502 4.455 20 30 FIEDMN N#Cc1cccc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000024967372 568327072 /nfs/dbraw/zinc/32/70/72/568327072.db2.gz VZIBJHWMIVQPAB-UHFFFAOYSA-N 0 1 371.263 4.398 20 30 FIEDMN N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000570024093 568441825 /nfs/dbraw/zinc/44/18/25/568441825.db2.gz DGZXKJBUYIDCBB-QKLQHJQFSA-N 0 1 372.428 4.028 20 30 FIEDMN