smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C[C@H]1CC[C@H](NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000474929416 1027796997 /nfs/dbraw/zinc/79/69/97/1027796997.db2.gz JKFYFPXGAAZWOV-CABZTGNLSA-N 0 3 347.178 4.250 20 30 EIEDHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccc(C2CC2)cc1 ZINC000419357523 1032365940 /nfs/dbraw/zinc/36/59/40/1032365940.db2.gz PJYBPVUDFNUBCU-KRWDZBQOSA-N 0 3 347.462 4.161 20 30 EIEDHN C[C@@H](N(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)(C)C ZINC000532928842 1032394340 /nfs/dbraw/zinc/39/43/40/1032394340.db2.gz RYVXCAVHWUPPKR-LSDHHAIUSA-N 0 3 347.528 4.243 20 30 EIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)C(C)(C)C ZINC000532928841 1032394742 /nfs/dbraw/zinc/39/47/42/1032394742.db2.gz RYVXCAVHWUPPKR-HUUCEWRRSA-N 0 3 347.528 4.243 20 30 EIEDHN N#Cc1cccc(CN(CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000533368473 1032706761 /nfs/dbraw/zinc/70/67/61/1032706761.db2.gz BBOJWLMRVRXFAO-UHFFFAOYSA-N 0 3 345.421 4.337 20 30 EIEDHN Cc1cc(CNCc2cccc(COCc3ccco3)c2)ccc1C#N ZINC000577574261 1018854905 /nfs/dbraw/zinc/85/49/05/1018854905.db2.gz UDMODHAOBZZWHE-UHFFFAOYSA-N 0 3 346.430 4.466 20 30 EIEDHN COc1ccc(CN[C@H](C)c2ccc(-c3cccnc3)cc2)cc1C#N ZINC000176747879 1020915319 /nfs/dbraw/zinc/91/53/19/1020915319.db2.gz HDGWFEUQSRIGGN-MRXNPFEDSA-N 0 3 343.430 4.480 20 30 EIEDHN C[C@H](NCc1ccc(OCc2cccnc2)cc1)c1cccc(C#N)c1 ZINC000610345255 1021340279 /nfs/dbraw/zinc/34/02/79/1021340279.db2.gz YWBGDZYKAKCQDA-KRWDZBQOSA-N 0 3 343.430 4.383 20 30 EIEDHN Cc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccc1Br ZINC000414144604 1021948600 /nfs/dbraw/zinc/94/86/00/1021948600.db2.gz NBISCLMXEFYZCV-GOSISDBHSA-N 0 3 341.252 4.406 20 30 EIEDHN C#CCOc1ccc([C@H](C)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000178121080 1021980370 /nfs/dbraw/zinc/98/03/70/1021980370.db2.gz GGUJVZBTIBFKRT-HSQYWUDLSA-N 0 3 335.447 4.270 20 30 EIEDHN CC(C)(CC#N)CN[C@@H]1CCCOc2cc(Br)ccc21 ZINC000414167445 1022012637 /nfs/dbraw/zinc/01/26/37/1022012637.db2.gz PFPYDFWAIAMIAG-CQSZACIVSA-N 0 3 337.261 4.192 20 30 EIEDHN CC(C)(CC#N)CN[C@@H]1CCCOc2ccc(Br)cc21 ZINC000414167739 1022012748 /nfs/dbraw/zinc/01/27/48/1022012748.db2.gz PPFQGARPGZJNFI-CQSZACIVSA-N 0 3 337.261 4.192 20 30 EIEDHN C=CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC001167406768 1022066179 /nfs/dbraw/zinc/06/61/79/1022066179.db2.gz VSXNIEXHTKYPKH-SJORKVTESA-N 0 3 336.479 4.304 20 30 EIEDHN CC[C@H](N[C@@H](Cc1nc(C)no1)c1ccccc1)c1ccc(C#N)cc1 ZINC000278802040 1022215823 /nfs/dbraw/zinc/21/58/23/1022215823.db2.gz RFGCOIQLMANBFV-PMACEKPBSA-N 0 3 346.434 4.274 20 30 EIEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000378106787 1022380288 /nfs/dbraw/zinc/38/02/88/1022380288.db2.gz ZKQZMXVWICRYAX-IEBWSBKVSA-N 0 3 346.902 4.217 20 30 EIEDHN N#CCOc1ccc(CNCc2ccc(SC(F)F)cc2)cc1 ZINC000180933992 1022563136 /nfs/dbraw/zinc/56/31/36/1022563136.db2.gz SAGOKKPCFVWTNA-UHFFFAOYSA-N 0 3 334.391 4.193 20 30 EIEDHN CC(C)Oc1ccccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000236677658 1022874729 /nfs/dbraw/zinc/87/47/29/1022874729.db2.gz PJBLYKVNVQAPSD-UHFFFAOYSA-N 0 3 337.467 4.113 20 30 EIEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(Br)cc1 ZINC000181113383 1022890649 /nfs/dbraw/zinc/89/06/49/1022890649.db2.gz SJCKJMKIIIHCTM-NSHDSACASA-N 0 3 333.204 4.311 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccc(Cl)cc1 ZINC000122179922 1022920765 /nfs/dbraw/zinc/92/07/65/1022920765.db2.gz HOULZBHQEPCFTD-OAHLLOKOSA-N 0 3 337.810 4.036 20 30 EIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000162278351 1022979784 /nfs/dbraw/zinc/97/97/84/1022979784.db2.gz DEIGHYAJHUXESQ-CABCVRRESA-N 0 3 327.399 4.258 20 30 EIEDHN C=C(C)COc1cc(CN2CCCC(F)(F)CC2)ccc1OC ZINC000628421956 1022987578 /nfs/dbraw/zinc/98/75/78/1022987578.db2.gz GTBRLTMMNJHTNH-UHFFFAOYSA-N 0 3 325.399 4.271 20 30 EIEDHN Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1cccc(C#N)c1F ZINC000340959607 1023013415 /nfs/dbraw/zinc/01/34/15/1023013415.db2.gz RAGNMQSVODGSQV-GOSISDBHSA-N 0 3 348.425 4.020 20 30 EIEDHN C=CCOc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430594128 1023164903 /nfs/dbraw/zinc/16/49/03/1023164903.db2.gz FWQCVQPWHSFKDB-OAHLLOKOSA-N 0 3 340.448 4.495 20 30 EIEDHN CC(C)OCCCN[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376843207 1023322914 /nfs/dbraw/zinc/32/29/14/1023322914.db2.gz OWWWKTNIMSVEOI-CQSZACIVSA-N 0 3 329.469 4.147 20 30 EIEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](CO)c3ccccc32)cc1Cl ZINC000376956940 1023341440 /nfs/dbraw/zinc/34/14/40/1023341440.db2.gz HYFOUEICDGZLMB-KXBFYZLASA-N 0 3 343.854 4.215 20 30 EIEDHN CC[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1 ZINC000341218223 1023389721 /nfs/dbraw/zinc/38/97/21/1023389721.db2.gz ITXUHBYMAQUYFB-ULRHQZHYSA-N 0 3 341.499 4.047 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc(C)nc3c2CCCC3)c1 ZINC000892973344 1023620209 /nfs/dbraw/zinc/62/02/09/1023620209.db2.gz OZSBFZJXGMGJQJ-IBGZPJMESA-N 0 3 349.478 4.240 20 30 EIEDHN Cn1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)c(C2CC2)n1 ZINC000892989472 1023636886 /nfs/dbraw/zinc/63/68/86/1023636886.db2.gz QIWJXCCVZGNIKV-UHFFFAOYSA-N 0 3 348.475 4.187 20 30 EIEDHN N#CCc1ccc(CN[C@H]2CCc3sc(Br)cc32)cc1 ZINC000581824105 1023734104 /nfs/dbraw/zinc/73/41/04/1023734104.db2.gz XIVJFBUPYUNBEI-AWEZNQCLSA-N 0 3 347.281 4.354 20 30 EIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000661115353 1024242082 /nfs/dbraw/zinc/24/20/82/1024242082.db2.gz BROWWAQFGHYQHH-IUODEOHRSA-N 0 3 331.847 4.213 20 30 EIEDHN C=CCCCCN[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000471897707 1024338830 /nfs/dbraw/zinc/33/88/30/1024338830.db2.gz SXLXGAZUBLUVHS-HXUWFJFHSA-N 0 3 338.451 4.321 20 30 EIEDHN COc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341758858 1024616508 /nfs/dbraw/zinc/61/65/08/1024616508.db2.gz DTUVMFIDNVOONG-IFXJQAMLSA-N 0 3 336.435 4.304 20 30 EIEDHN CCc1ccc(CNCc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000511926938 1024807160 /nfs/dbraw/zinc/80/71/60/1024807160.db2.gz NNFYPCUKHRQNHB-UHFFFAOYSA-N 0 3 327.431 4.472 20 30 EIEDHN COc1ccc(CN2CC[C@@H](CSc3ccccc3)C2)cc1C#N ZINC000610993797 1025230448 /nfs/dbraw/zinc/23/04/48/1025230448.db2.gz ISMYLLITJDLNEP-QGZVFWFLSA-N 0 3 338.476 4.181 20 30 EIEDHN CCCCCCCCN[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001167803815 1025254935 /nfs/dbraw/zinc/25/49/35/1025254935.db2.gz DZJRATXTBUCHAU-KRWDZBQOSA-N 0 3 344.421 4.356 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)c2cccc(Cl)c2)CC1 ZINC000519282543 1025698899 /nfs/dbraw/zinc/69/88/99/1025698899.db2.gz CEOICKIUCWUZLD-GOSISDBHSA-N 0 3 349.906 4.131 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000342273066 1025730580 /nfs/dbraw/zinc/73/05/80/1025730580.db2.gz FXMWAHOMLOWYMW-IBGZPJMESA-N 0 3 331.843 4.118 20 30 EIEDHN C[C@@H](NCCSCc1ccccc1C#N)c1cc(F)ccc1F ZINC000539070081 1025787011 /nfs/dbraw/zinc/78/70/11/1025787011.db2.gz HCVSYLGPCBMGKN-CYBMUJFWSA-N 0 3 332.419 4.420 20 30 EIEDHN N#Cc1cc(CNCC[C@H](O)c2ccc(Cl)c(Cl)c2)cs1 ZINC000894481493 1026025601 /nfs/dbraw/zinc/02/56/01/1026025601.db2.gz PRVUBNMAAJKBJV-HNNXBMFYSA-N 0 3 341.263 4.140 20 30 EIEDHN COc1cc(CN[C@H](C)c2cccc(Br)c2)ccc1C#N ZINC000234950180 1026214850 /nfs/dbraw/zinc/21/48/50/1026214850.db2.gz DFMDIBIZSHGBOQ-GFCCVEGCSA-N 0 3 345.240 4.180 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Cl)cccc1OC(F)F ZINC000684767924 1026226190 /nfs/dbraw/zinc/22/61/90/1026226190.db2.gz VAEWXXLOPDXTLV-ABAIWWIYSA-N 0 3 331.790 4.012 20 30 EIEDHN N#Cc1ccc(CC[N@H+](Cc2ccco2)Cc2ccccc2[O-])cc1 ZINC001167983036 1026425354 /nfs/dbraw/zinc/42/53/54/1026425354.db2.gz JEYGUNQLYYVVRF-UHFFFAOYSA-N 0 3 332.403 4.102 20 30 EIEDHN N#Cc1ccc(CC[N@@H+](Cc2ccco2)Cc2ccccc2[O-])cc1 ZINC001167983036 1026425370 /nfs/dbraw/zinc/42/53/70/1026425370.db2.gz JEYGUNQLYYVVRF-UHFFFAOYSA-N 0 3 332.403 4.102 20 30 EIEDHN CCCOc1ccc(C(C)(C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000441353372 1027472130 /nfs/dbraw/zinc/47/21/30/1027472130.db2.gz VPGKEDDSSJNWBH-UHFFFAOYSA-N 0 3 338.451 4.381 20 30 EIEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(Cl)c1OC ZINC000078878098 1027701018 /nfs/dbraw/zinc/70/10/18/1027701018.db2.gz GDFDIXOBNPWHPU-LBPRGKRZSA-N 0 3 330.815 4.080 20 30 EIEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(Cl)c1OC ZINC000078878107 1027702078 /nfs/dbraw/zinc/70/20/78/1027702078.db2.gz GDFDIXOBNPWHPU-GFCCVEGCSA-N 0 3 330.815 4.080 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000329343168 1027741559 /nfs/dbraw/zinc/74/15/59/1027741559.db2.gz SYIOFMXLYGNTLT-UHFFFAOYSA-N 0 3 348.516 4.167 20 30 EIEDHN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328683452 1027796660 /nfs/dbraw/zinc/79/66/60/1027796660.db2.gz DLKHHQVLKNOFLL-IUODEOHRSA-N 0 3 349.862 4.256 20 30 EIEDHN CCCCN(CC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000523450495 1028103945 /nfs/dbraw/zinc/10/39/45/1028103945.db2.gz YHBULZWNXBOMTR-GOSISDBHSA-N 0 3 349.478 4.038 20 30 EIEDHN C=CCOc1cccc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)c1 ZINC000657742422 1028254177 /nfs/dbraw/zinc/25/41/77/1028254177.db2.gz RCLOJAMXBXSXKN-RTWAWAEBSA-N 0 3 325.452 4.099 20 30 EIEDHN C=CCN(Cc1cc(-n2ccnc2)cs1)Cc1ccc(OC)cc1 ZINC000346155815 1028287091 /nfs/dbraw/zinc/28/70/91/1028287091.db2.gz RRUQNKUXECXLCK-UHFFFAOYSA-N 0 3 339.464 4.131 20 30 EIEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(C#N)ccc1Br ZINC001307481238 1028476031 /nfs/dbraw/zinc/47/60/31/1028476031.db2.gz ZZHDXJPKZMSEJS-SUYBPPKGSA-N 0 3 333.273 4.474 20 30 EIEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000346723127 1028610038 /nfs/dbraw/zinc/61/00/38/1028610038.db2.gz SHULVXRMXSAFNW-INIZCTEOSA-N 0 3 329.488 4.096 20 30 EIEDHN N#Cc1ccc(OC2CCN(c3ccnc4ccccc43)CC2)cc1 ZINC000347011019 1028844998 /nfs/dbraw/zinc/84/49/98/1028844998.db2.gz AATZWDMRTIYRAL-UHFFFAOYSA-N 0 3 329.403 4.154 20 30 EIEDHN C=CC[C@H]1N(Cc2nc3c(s2)CN(C(C)C)CC3)CCCC1(C)C ZINC000446828503 1029593360 /nfs/dbraw/zinc/59/33/60/1029593360.db2.gz VJKATQHHAMVIFN-GOSISDBHSA-N 0 3 347.572 4.476 20 30 EIEDHN C[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(OCC#N)cc1 ZINC000192914788 1029647085 /nfs/dbraw/zinc/64/70/85/1029647085.db2.gz KODKQXJKBKDMDO-ZDUSSCGKSA-N 0 3 334.341 4.459 20 30 EIEDHN N#C[C@H]1CC[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000278690649 1029697157 /nfs/dbraw/zinc/69/71/57/1029697157.db2.gz SESKNVMRKYGSGJ-UGKGYDQZSA-N 0 3 345.490 4.086 20 30 EIEDHN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCC(C)(C)C1 ZINC000361472493 1030073115 /nfs/dbraw/zinc/07/31/15/1030073115.db2.gz YAMASRVGYLMDLE-QGZVFWFLSA-N 0 3 347.890 4.097 20 30 EIEDHN CC[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000447544424 1030149277 /nfs/dbraw/zinc/14/92/77/1030149277.db2.gz OLIQEIGGCWOURV-KRWDZBQOSA-N 0 3 342.826 4.224 20 30 EIEDHN C=C[C@](C)(CC)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000467521019 1030193271 /nfs/dbraw/zinc/19/32/71/1030193271.db2.gz WXKJHJGYKMBLLC-VQIMIIECSA-N 0 3 334.529 4.240 20 30 EIEDHN Cc1c([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000185799182 1030224735 /nfs/dbraw/zinc/22/47/35/1030224735.db2.gz LPNQVYMJJYUTNQ-JLJPHGGASA-N 0 3 326.419 4.053 20 30 EIEDHN N#Cc1ccc(CN2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000022781889 1030335656 /nfs/dbraw/zinc/33/56/56/1030335656.db2.gz IECHCCWVCPYSFL-UHFFFAOYSA-N 0 3 341.458 4.029 20 30 EIEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451331211 1030409364 /nfs/dbraw/zinc/40/93/64/1030409364.db2.gz NMIGTJXJYWFAGJ-IBGZPJMESA-N 0 3 342.870 4.307 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCC(c3ccsc3)CC2)cc1 ZINC000188694295 1030417065 /nfs/dbraw/zinc/41/70/65/1030417065.db2.gz QMHQAOHNEYPBOF-OAHLLOKOSA-N 0 3 326.465 4.419 20 30 EIEDHN CCc1nn(-c2ccccc2)c(CC)c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000448032123 1030528525 /nfs/dbraw/zinc/52/85/25/1030528525.db2.gz WAWDKACRIDTSOI-DLBZAZTESA-N 0 3 336.483 4.169 20 30 EIEDHN N#CC(C(=O)CC[C@H]1CCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000892420856 1030746115 /nfs/dbraw/zinc/74/61/15/1030746115.db2.gz YYJWYQXDHYXFBZ-WBVHZDCISA-N 0 3 329.403 4.249 20 30 EIEDHN CN(C)C[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000527811775 1030856232 /nfs/dbraw/zinc/85/62/32/1030856232.db2.gz SLNBCXLYBBHNIW-SFHVURJKSA-N 0 3 348.277 4.258 20 30 EIEDHN CC(C)(C#N)CCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000119999822 1031421049 /nfs/dbraw/zinc/42/10/49/1031421049.db2.gz GJTFFYIZNINYEI-NSHDSACASA-N 0 3 331.407 4.281 20 30 EIEDHN N#Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CCOC2)s1 ZINC000364881871 1031428156 /nfs/dbraw/zinc/42/81/56/1031428156.db2.gz OHQBAUGXOZIBSO-DYVFJYSZSA-N 0 3 332.856 4.141 20 30 EIEDHN C=C(C)COc1cc(CNCc2ccc(OC)cc2C)ccc1OC ZINC000531698823 1031482182 /nfs/dbraw/zinc/48/21/82/1031482182.db2.gz CIRGASYEYUACLJ-UHFFFAOYSA-N 0 3 341.451 4.257 20 30 EIEDHN COc1cccc([C@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000124225465 1031517066 /nfs/dbraw/zinc/51/70/66/1031517066.db2.gz BOKMYOZJDUHMFH-HRAATJIYSA-N 0 3 336.435 4.323 20 30 EIEDHN Cn1cc(CN(Cc2ccccc2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179908009 1031597257 /nfs/dbraw/zinc/59/72/57/1031597257.db2.gz NRJPGCOJCPDIEB-UHFFFAOYSA-N 0 3 342.446 4.123 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2c(Cl)c3ccccc3n2C)n1 ZINC000048789218 1031855424 /nfs/dbraw/zinc/85/54/24/1031855424.db2.gz XTYOBUQBNZESFC-NSHDSACASA-N 0 3 329.812 4.087 20 30 EIEDHN N#Cc1ccc(CN[C@H](C[C@H]2CCOC2)c2ccc(F)cc2)cc1F ZINC000453392052 1031956506 /nfs/dbraw/zinc/95/65/06/1031956506.db2.gz UFPOKAQEOUXQEZ-FOIQADDNSA-N 0 3 342.389 4.094 20 30 EIEDHN N#Cc1csc(CN[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000449732944 1031958837 /nfs/dbraw/zinc/95/88/37/1031958837.db2.gz MWLVEEYLAZJNCV-ZFWWWQNUSA-N 0 3 331.872 4.484 20 30 EIEDHN C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000512636229 1033578339 /nfs/dbraw/zinc/57/83/39/1033578339.db2.gz KOEWESLLMQOORP-GOEBONIOSA-N 0 3 341.405 4.156 20 30 EIEDHN C[C@H](NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1F ZINC000512637195 1033581393 /nfs/dbraw/zinc/58/13/93/1033581393.db2.gz SMJPMMBYUTWENW-KXBFYZLASA-N 0 3 341.430 4.168 20 30 EIEDHN CC(C)OC(=O)C[C@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614186055 1033638919 /nfs/dbraw/zinc/63/89/19/1033638919.db2.gz OSMDQKLFCHAUHD-GOSISDBHSA-N 0 3 342.483 4.041 20 30 EIEDHN CC(C)N(C(=O)CN[C@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000433017909 1033664986 /nfs/dbraw/zinc/66/49/86/1033664986.db2.gz BKPCVHCPYFDFLL-HXUWFJFHSA-N 0 3 341.499 4.191 20 30 EIEDHN C[C@@H](N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C#N)cc1F ZINC000512668816 1033670584 /nfs/dbraw/zinc/67/05/84/1033670584.db2.gz WSNQPROODFORMS-RHSMWYFYSA-N 0 3 341.405 4.156 20 30 EIEDHN COC(=O)c1ccc(CN[C@@H](CCCC#N)c2ccccc2)s1 ZINC000433029564 1033695853 /nfs/dbraw/zinc/69/58/53/1033695853.db2.gz BXNVKSQFBPWMPL-INIZCTEOSA-N 0 3 328.437 4.059 20 30 EIEDHN CCOc1ccccc1OCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000542317272 1033840784 /nfs/dbraw/zinc/84/07/84/1033840784.db2.gz VHIBHXMXKPLLLD-UHFFFAOYSA-N 0 3 336.435 4.000 20 30 EIEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1ccc(C#N)cc1F ZINC000513059016 1034382282 /nfs/dbraw/zinc/38/22/82/1034382282.db2.gz VBIINWGHYOABGF-IOMROCGXSA-N 0 3 338.426 4.138 20 30 EIEDHN Cc1cc(C#N)ccc1CNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000614401861 1034545302 /nfs/dbraw/zinc/54/53/02/1034545302.db2.gz KTLFJFSQEYIEJR-UHFFFAOYSA-N 0 3 340.854 4.316 20 30 EIEDHN COCCSc1ccc([C@@H](C)NCc2ccc(C#N)cc2C)cc1 ZINC000614407678 1034558436 /nfs/dbraw/zinc/55/84/36/1034558436.db2.gz WJOPPKUNSMWPTC-MRXNPFEDSA-N 0 3 340.492 4.456 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc3[nH]c(C)cc3c2)cc1OC ZINC000513101449 1034579529 /nfs/dbraw/zinc/57/95/29/1034579529.db2.gz RAJPMKJHGLJRDZ-UHFFFAOYSA-N 0 3 336.435 4.340 20 30 EIEDHN CCOc1ccc([C@@H]2CCCN2Cc2ccc(OCC#N)cc2)cc1 ZINC000729267404 1034768554 /nfs/dbraw/zinc/76/85/54/1034768554.db2.gz VEAFWAZNYVKOLU-NRFANRHFSA-N 0 3 336.435 4.325 20 30 EIEDHN COc1ccccc1O[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000513404770 1034918809 /nfs/dbraw/zinc/91/88/09/1034918809.db2.gz ACEMBCZIKHHJGD-VQIMIIECSA-N 0 3 336.435 4.171 20 30 EIEDHN N#Cc1ccccc1CSCCN[C@H]1CCc2c1c(F)ccc2F ZINC000513501821 1034997954 /nfs/dbraw/zinc/99/79/54/1034997954.db2.gz VSSPHIAIOYUELQ-SFHVURJKSA-N 0 3 344.430 4.347 20 30 EIEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280168625 1035192010 /nfs/dbraw/zinc/19/20/10/1035192010.db2.gz FTKFHXMSXAHOMM-HCKVZZMMSA-N 0 3 346.780 4.064 20 30 EIEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(Br)c(Cl)c1 ZINC000595054812 1035536735 /nfs/dbraw/zinc/53/67/35/1035536735.db2.gz POWPWCWWFCYVAP-SNVBAGLBSA-N 0 3 327.653 4.447 20 30 EIEDHN COCCSc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000237090956 1035581161 /nfs/dbraw/zinc/58/11/61/1035581161.db2.gz RAVMHFJXAURTCN-HNNXBMFYSA-N 0 3 326.465 4.148 20 30 EIEDHN CCCN(CCc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000595482672 1035679102 /nfs/dbraw/zinc/67/91/02/1035679102.db2.gz UGJYSSGJTXPFQT-GOSISDBHSA-N 0 3 349.478 4.148 20 30 EIEDHN CC[C@@H](C)N(CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000595602881 1035744942 /nfs/dbraw/zinc/74/49/42/1035744942.db2.gz XMMNSDKBRABXNX-HUUCEWRRSA-N 0 3 333.501 4.140 20 30 EIEDHN N#Cc1ccc(-c2nnc(CN3CCCC4(CCCC4)CC3)o2)cc1 ZINC000595643328 1035753766 /nfs/dbraw/zinc/75/37/66/1035753766.db2.gz XPZLGJUAKCPEIT-UHFFFAOYSA-N 0 3 336.439 4.155 20 30 EIEDHN C=CCC1(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000595779625 1035793417 /nfs/dbraw/zinc/79/34/17/1035793417.db2.gz CHKKCJPLORKHQK-UHFFFAOYSA-N 0 3 327.384 4.228 20 30 EIEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)CC1=CCSC1 ZINC000595887973 1035802214 /nfs/dbraw/zinc/80/22/14/1035802214.db2.gz JWSQLIPCOSJAFF-UHFFFAOYSA-N 0 3 348.515 4.491 20 30 EIEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593126563 1035807055 /nfs/dbraw/zinc/80/70/55/1035807055.db2.gz WHNLRFVQUCGRMS-FKBYEOEOSA-N 0 3 332.447 4.361 20 30 EIEDHN N#Cc1cccc(CN2CCC3(C=Cc4ccccc4O3)CC2)c1F ZINC000595877522 1035807223 /nfs/dbraw/zinc/80/72/23/1035807223.db2.gz IIMNKGSLMZMFMG-UHFFFAOYSA-N 0 3 334.394 4.138 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000221681196 1035863287 /nfs/dbraw/zinc/86/32/87/1035863287.db2.gz DTDCLMLHEKFVIW-JHJVBQTASA-N 0 3 349.356 4.118 20 30 EIEDHN C=CCSc1ccccc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000485461695 1035894537 /nfs/dbraw/zinc/89/45/37/1035894537.db2.gz FXPMOTCXJYFBSB-UHFFFAOYSA-N 0 3 326.465 4.279 20 30 EIEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000597137695 1036119968 /nfs/dbraw/zinc/11/99/68/1036119968.db2.gz XLDVVQSXJTTZMO-IBGZPJMESA-N 0 3 340.854 4.061 20 30 EIEDHN CC(C)(CO)[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1cccs1 ZINC000597149489 1036128975 /nfs/dbraw/zinc/12/89/75/1036128975.db2.gz LHPUPDAPSSDXAJ-GOSISDBHSA-N 0 3 340.492 4.153 20 30 EIEDHN CC(C)(C)OC(=O)[C@@H]1CN(CC(C)(C)CCC#N)Cc2ccccc21 ZINC000597174748 1036141920 /nfs/dbraw/zinc/14/19/20/1036141920.db2.gz UPGXTIMCEIWYIL-GOSISDBHSA-N 0 3 342.483 4.257 20 30 EIEDHN N#CC(C(=O)CCCSc1ccc(Cl)cc1)c1ccccn1 ZINC000060477034 1036142507 /nfs/dbraw/zinc/14/25/07/1036142507.db2.gz FSANPUPAEIACHG-OAHLLOKOSA-N 0 3 330.840 4.484 20 30 EIEDHN CC(C)(C)OC(=O)[C@H]1CN(CC(C)(C)CCC#N)Cc2ccccc21 ZINC000597174750 1036143806 /nfs/dbraw/zinc/14/38/06/1036143806.db2.gz UPGXTIMCEIWYIL-SFHVURJKSA-N 0 3 342.483 4.257 20 30 EIEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)s2)[C@H]1Sc1ccccc1 ZINC000421349799 1036293699 /nfs/dbraw/zinc/29/36/99/1036293699.db2.gz JLGMGTBANBGQBN-RCCFBDPRSA-N 0 3 344.505 4.048 20 30 EIEDHN CC(C)c1ccc(NC(=O)C[C@H](C)NCc2ccc(C#N)s2)cc1 ZINC000421347888 1036295215 /nfs/dbraw/zinc/29/52/15/1036295215.db2.gz DOXYXDRGBWUVBW-AWEZNQCLSA-N 0 3 341.480 4.250 20 30 EIEDHN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H](C)CCC#N ZINC000602433578 1036449345 /nfs/dbraw/zinc/44/93/45/1036449345.db2.gz MYZKBYDHDTTYFZ-ZDUSSCGKSA-N 0 3 346.862 4.141 20 30 EIEDHN C[C@H](CC1(C#N)CCOCC1)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000602572817 1036500874 /nfs/dbraw/zinc/50/08/74/1036500874.db2.gz TXKPFEJAWRNQTO-PBHICJAKSA-N 0 3 346.446 4.116 20 30 EIEDHN Cc1cc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)oc1C ZINC000502706250 1036530272 /nfs/dbraw/zinc/53/02/72/1036530272.db2.gz FRPPTYFZIHTPMC-YOEHRIQHSA-N 0 3 341.430 4.227 20 30 EIEDHN C[C@H](CCC#N)CN(Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000602643358 1036537543 /nfs/dbraw/zinc/53/75/43/1036537543.db2.gz PWGVGUPKFZHXMC-OAHLLOKOSA-N 0 3 330.863 4.016 20 30 EIEDHN COC(=O)c1csc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000602672602 1036548827 /nfs/dbraw/zinc/54/88/27/1036548827.db2.gz ZHJIXNXIBWSIBM-KRWDZBQOSA-N 0 3 328.437 4.059 20 30 EIEDHN CC1=Nc2ccccc2C12CCN(Cc1ccc(F)c(C#N)c1)CC2 ZINC000602866077 1036660413 /nfs/dbraw/zinc/66/04/13/1036660413.db2.gz SUASVSBFXSIEKF-UHFFFAOYSA-N 0 3 333.410 4.337 20 30 EIEDHN N#Cc1ccc(C2CCN(Cc3cc(F)cc4cccnc43)CC2)nc1 ZINC000602909257 1036664250 /nfs/dbraw/zinc/66/42/50/1036664250.db2.gz KTQBACZDLHNKBX-UHFFFAOYSA-N 0 3 346.409 4.020 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000598615995 1036714278 /nfs/dbraw/zinc/71/42/78/1036714278.db2.gz IQHWXGRMOIIRGP-MLGOLLRUSA-N 0 3 341.282 4.335 20 30 EIEDHN CC(C)(C)OC(=O)c1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000589343664 1036741897 /nfs/dbraw/zinc/74/18/97/1036741897.db2.gz JIYHOBUEECUGGA-FQEVSTJZSA-N 0 3 348.446 4.291 20 30 EIEDHN CC[C@@H](CC(F)F)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000659935691 1036753026 /nfs/dbraw/zinc/75/30/26/1036753026.db2.gz LAYOBCDSCRYMEZ-QMMMGPOBSA-N 0 3 327.259 4.485 20 30 EIEDHN COc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(C(F)(F)F)c1 ZINC000598963629 1036829340 /nfs/dbraw/zinc/82/93/40/1036829340.db2.gz AISHRCCEASWHKU-LBPRGKRZSA-N 0 3 334.341 4.436 20 30 EIEDHN COc1ccc([C@@H](NCc2ccc(C(C)(C)C#N)cc2)C2CC2)cn1 ZINC000599019997 1036853619 /nfs/dbraw/zinc/85/36/19/1036853619.db2.gz LCQZHJZMOQNKFC-FQEVSTJZSA-N 0 3 335.451 4.132 20 30 EIEDHN CC(C)(C#N)c1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000590123867 1036980064 /nfs/dbraw/zinc/98/00/64/1036980064.db2.gz JINUCNQDWXKOCC-NRFANRHFSA-N 0 3 348.490 4.481 20 30 EIEDHN CC[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(=O)OC)cc1 ZINC000590254362 1037022098 /nfs/dbraw/zinc/02/20/98/1037022098.db2.gz KZVANBXESWNAAP-WOJBJXKFSA-N 0 3 334.419 4.073 20 30 EIEDHN COc1ccccc1[C@H](CC(C)C)NCc1ccc(OCC#N)cc1 ZINC000271841547 1037031717 /nfs/dbraw/zinc/03/17/17/1037031717.db2.gz ZMEWWMVFXLGUGA-FQEVSTJZSA-N 0 3 338.451 4.475 20 30 EIEDHN Cc1cc(Cl)ccc1C1=CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000599619653 1037091984 /nfs/dbraw/zinc/09/19/84/1037091984.db2.gz MYESLLIVNZTIMZ-KRWDZBQOSA-N 0 3 332.875 4.038 20 30 EIEDHN CSc1cccc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000599631516 1037102250 /nfs/dbraw/zinc/10/22/50/1037102250.db2.gz XLFVZIXPZJTNMW-UHFFFAOYSA-N 0 3 338.476 4.076 20 30 EIEDHN COc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)ccc1OC(F)F ZINC000487869492 1037272113 /nfs/dbraw/zinc/27/21/13/1037272113.db2.gz LIHWDYVXZGZGQI-CYBMUJFWSA-N 0 3 346.377 4.361 20 30 EIEDHN N#Cc1ccc(CN(CCSc2ccc(F)cc2)C2CC2)cc1 ZINC000604501261 1037410408 /nfs/dbraw/zinc/41/04/08/1037410408.db2.gz SWHSXZDFWYPVSO-UHFFFAOYSA-N 0 3 326.440 4.454 20 30 EIEDHN CC1(C)C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)c2cc(N)ccc2O1 ZINC000591579374 1037506086 /nfs/dbraw/zinc/50/60/86/1037506086.db2.gz SWYVTUKQRQQEQI-VQTJNVASSA-N 0 3 347.462 4.410 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(OCC#N)cc2)cc1Cl ZINC000171768966 1037659638 /nfs/dbraw/zinc/65/96/38/1037659638.db2.gz DJHFOZNBJCKNLM-UHFFFAOYSA-N 0 3 342.826 4.097 20 30 EIEDHN CCc1cccc2c(CC(=O)C(C#N)c3nc4ccccc4o3)c[nH]c21 ZINC000171769413 1037660193 /nfs/dbraw/zinc/66/01/93/1037660193.db2.gz QJVVLYVEKRGKMQ-MRXNPFEDSA-N 0 3 343.386 4.290 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157401 1037765838 /nfs/dbraw/zinc/76/58/38/1037765838.db2.gz WULXPJJZMJCYMU-OAHLLOKOSA-N 0 3 328.456 4.063 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592176668 1037770305 /nfs/dbraw/zinc/77/03/05/1037770305.db2.gz BJVWWACWQCBUSR-OAQYLSRUSA-N 0 3 332.447 4.026 20 30 EIEDHN N#CCCC1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000592517264 1037824365 /nfs/dbraw/zinc/82/43/65/1037824365.db2.gz OVTBHYWIBKJLDG-UHFFFAOYSA-N 0 3 331.891 4.456 20 30 EIEDHN N#CC(C(=O)c1ccc2c(c1)CCC2)c1nc2cc(F)ccc2s1 ZINC000592974087 1037884598 /nfs/dbraw/zinc/88/45/98/1037884598.db2.gz NEZFWRKWFJHRGN-HNNXBMFYSA-N 0 3 336.391 4.414 20 30 EIEDHN CC(C)(C)[C@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075747029 1038066179 /nfs/dbraw/zinc/06/61/79/1038066179.db2.gz LHRQYEXCENLANL-KRWDZBQOSA-N 0 3 338.455 4.256 20 30 EIEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccccc21 ZINC000593692664 1038154913 /nfs/dbraw/zinc/15/49/13/1038154913.db2.gz YRANEJQHZKDSIW-RGCFKVTRSA-N 0 3 340.467 4.229 20 30 EIEDHN Cc1cccc(Oc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2)c1 ZINC000594428340 1038330991 /nfs/dbraw/zinc/33/09/91/1038330991.db2.gz YFTLZOMXCAYIDU-LJQANCHMSA-N 0 3 337.423 4.137 20 30 EIEDHN Cc1cccc(Oc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2)c1 ZINC000594428339 1038331924 /nfs/dbraw/zinc/33/19/24/1038331924.db2.gz YFTLZOMXCAYIDU-IBGZPJMESA-N 0 3 337.423 4.137 20 30 EIEDHN CC(C)(C)C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594434007 1038334582 /nfs/dbraw/zinc/33/45/82/1038334582.db2.gz WHVKGCPBMBGCTK-IRXDYDNUSA-N 0 3 349.906 4.345 20 30 EIEDHN COCc1cc(CNCc2ccc(C(C)(C)C#N)cc2)ccc1F ZINC000594501394 1038348721 /nfs/dbraw/zinc/34/87/21/1038348721.db2.gz ZUQOIEKDIDKMLC-UHFFFAOYSA-N 0 3 326.415 4.063 20 30 EIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000594516734 1038357552 /nfs/dbraw/zinc/35/75/52/1038357552.db2.gz FCHOXOOMISLTBL-ZDUSSCGKSA-N 0 3 333.391 4.135 20 30 EIEDHN C=CCOc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1OC ZINC000594519487 1038360640 /nfs/dbraw/zinc/36/06/40/1038360640.db2.gz LETUCOPUWKIWQM-UHFFFAOYSA-N 0 3 348.446 4.301 20 30 EIEDHN COC(=O)CC[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594922362 1038424953 /nfs/dbraw/zinc/42/49/53/1038424953.db2.gz SRTGWDBTZRWKEB-FQEVSTJZSA-N 0 3 348.446 4.026 20 30 EIEDHN C=CCOc1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1 ZINC000608069915 1038489484 /nfs/dbraw/zinc/48/94/84/1038489484.db2.gz YCCDYAISXQEUCY-UHFFFAOYSA-N 0 3 341.426 4.186 20 30 EIEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2OCc2ccc(F)cc2F)C1 ZINC000594950431 1038512636 /nfs/dbraw/zinc/51/26/36/1038512636.db2.gz LCGORNQJFPKZJL-KBXCAEBGSA-N 0 3 342.389 4.326 20 30 EIEDHN N#C[C@@H]1CC[C@H](NCc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000424203628 1038736723 /nfs/dbraw/zinc/73/67/23/1038736723.db2.gz ULQBQZVTGYJCLO-APWZRJJASA-N 0 3 334.467 4.007 20 30 EIEDHN CSC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000424336665 1038810450 /nfs/dbraw/zinc/81/04/50/1038810450.db2.gz YDXMNSRSDNBUKX-GLQYFDAESA-N 0 3 328.403 4.391 20 30 EIEDHN CC[C@H](CCc1ccc(Br)cc1)N[C@@H]1CCC[C@@H]1C#N ZINC000462067518 1038883979 /nfs/dbraw/zinc/88/39/79/1038883979.db2.gz MJWHRYXGOKTCAA-DJIMGWMZSA-N 0 3 335.289 4.442 20 30 EIEDHN COc1cc([C@@H](C)NCc2ccc(F)c(C#N)c2)ccc1OC(C)C ZINC000539253146 1038895934 /nfs/dbraw/zinc/89/59/34/1038895934.db2.gz RDLKQQCCQQUVFI-CQSZACIVSA-N 0 3 342.414 4.344 20 30 EIEDHN CC[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@H]1c1ccccc1 ZINC000537619934 1038955895 /nfs/dbraw/zinc/95/58/95/1038955895.db2.gz NJZVXIIREPACDR-GHTZIAJQSA-N 0 3 344.462 4.222 20 30 EIEDHN COc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1OC1CC1 ZINC000600167785 1039339748 /nfs/dbraw/zinc/33/97/48/1039339748.db2.gz XWIHKHLYNUVBJA-OAHLLOKOSA-N 0 3 336.435 4.301 20 30 EIEDHN CCOc1ccc(Cl)cc1CCNCc1ccc(C#N)cc1F ZINC000534464430 1039472954 /nfs/dbraw/zinc/47/29/54/1039472954.db2.gz JNZRXPUJPGJNQT-UHFFFAOYSA-N 0 3 332.806 4.082 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000092643286 1039570381 /nfs/dbraw/zinc/57/03/81/1039570381.db2.gz NDXSDAQCLQVKBD-GOSISDBHSA-N 0 3 349.478 4.078 20 30 EIEDHN C=CCC1(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CCC1 ZINC000478272613 1039598930 /nfs/dbraw/zinc/59/89/30/1039598930.db2.gz ANCAJHJINADKTP-QGZVFWFLSA-N 0 3 346.540 4.384 20 30 EIEDHN CCc1ccc([C@H](CO)N[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481680331 1039721308 /nfs/dbraw/zinc/72/13/08/1039721308.db2.gz YVIOGMIPBXACLG-YADHBBJMSA-N 0 3 334.463 4.211 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2ccsc2)cc1 ZINC000128603098 1039832024 /nfs/dbraw/zinc/83/20/24/1039832024.db2.gz JNOXKRYYLJUKFP-MRXNPFEDSA-N 0 3 326.421 4.052 20 30 EIEDHN COc1ccc(C[C@H](C)CN(C)Cc2ccc(C#N)cc2F)cc1 ZINC000534903900 1039847243 /nfs/dbraw/zinc/84/72/43/1039847243.db2.gz HWXHXSZVKVIEKL-HNNXBMFYSA-N 0 3 326.415 4.017 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000425369216 1040355883 /nfs/dbraw/zinc/35/58/83/1040355883.db2.gz ZIXWUEOMZRFIOK-AWEZNQCLSA-N 0 3 336.464 4.213 20 30 EIEDHN N#CC(C(=O)c1ccc2ccc(Cl)cc2n1)c1nc2ccccc2[nH]1 ZINC000083937569 1040485054 /nfs/dbraw/zinc/48/50/54/1040485054.db2.gz ONHPJFIZWSFJLE-CYBMUJFWSA-N 0 3 346.777 4.255 20 30 EIEDHN C[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000539608464 1040604885 /nfs/dbraw/zinc/60/48/85/1040604885.db2.gz MKEXKLLPQZTQND-LLVKDONJSA-N 0 3 338.304 4.447 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)c(C)o2)cc1 ZINC000128765550 1040607897 /nfs/dbraw/zinc/60/78/97/1040607897.db2.gz XAZABECWHZHGJY-SJKOYZFVSA-N 0 3 338.407 4.371 20 30 EIEDHN C=CCC[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)c1ccccc1 ZINC000435758806 1040613342 /nfs/dbraw/zinc/61/33/42/1040613342.db2.gz FUHUFSYDYDOCLS-HXUWFJFHSA-N 0 3 343.515 4.210 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000249255911 1040637825 /nfs/dbraw/zinc/63/78/25/1040637825.db2.gz GKOXGXKDCULORC-CZUORRHYSA-N 0 3 348.372 4.172 20 30 EIEDHN N#CC(C(=O)c1ccc(SC2CC2)cc1)c1cnc2ccccc2n1 ZINC000483216357 1040771031 /nfs/dbraw/zinc/77/10/31/1040771031.db2.gz URIXPZJJAMHNPZ-INIZCTEOSA-N 0 3 345.427 4.374 20 30 EIEDHN Cn1cc(CN2CCCCC[C@@H]2/C=C/c2cccs2)cc1C#N ZINC000483307341 1040812857 /nfs/dbraw/zinc/81/28/57/1040812857.db2.gz HDGIVWBKUFNENP-KBOKABMXSA-N 0 3 325.481 4.416 20 30 EIEDHN Cn1cc(CN2CCCCC[C@@H]2/C=C\c2cccs2)cc1C#N ZINC000483307342 1040813095 /nfs/dbraw/zinc/81/30/95/1040813095.db2.gz HDGIVWBKUFNENP-XZVRFQMRSA-N 0 3 325.481 4.416 20 30 EIEDHN COCCSc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000484080908 1041111570 /nfs/dbraw/zinc/11/15/70/1041111570.db2.gz NEFGHYNUVBCTTL-CQSZACIVSA-N 0 3 344.455 4.287 20 30 EIEDHN Cc1cccc([C@@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1C ZINC000540389545 1041423799 /nfs/dbraw/zinc/42/37/99/1041423799.db2.gz NTWSKNXCRKUIGA-CQSZACIVSA-N 0 3 341.842 4.118 20 30 EIEDHN CN(Cc1ccc(OCc2ccncc2)cc1)Cc1cccc(C#N)c1 ZINC000139229693 1041448454 /nfs/dbraw/zinc/44/84/54/1041448454.db2.gz MPHSVPFGMPJDKM-UHFFFAOYSA-N 0 3 343.430 4.164 20 30 EIEDHN COc1cc(C)c(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1OC ZINC000538823862 1041556665 /nfs/dbraw/zinc/55/66/65/1041556665.db2.gz KCWTXEKDXAGPEE-UHFFFAOYSA-N 0 3 348.446 4.173 20 30 EIEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437894210 1041952860 /nfs/dbraw/zinc/95/28/60/1041952860.db2.gz HHQCTMAUSXETQV-HUUCEWRRSA-N 0 3 340.439 4.266 20 30 EIEDHN Cc1sc(NC(=O)CN(C)C2CCC(C)(C)CC2)c(C#N)c1C ZINC000438494123 1042210248 /nfs/dbraw/zinc/21/02/48/1042210248.db2.gz SBMYDQKOAHWUPA-UHFFFAOYSA-N 0 3 333.501 4.076 20 30 EIEDHN C=CCOc1ccccc1CN1CCC(OCc2ccccc2)CC1 ZINC000506312610 1042297858 /nfs/dbraw/zinc/29/78/58/1042297858.db2.gz NXWQUHUXJMATTD-UHFFFAOYSA-N 0 3 337.463 4.433 20 30 EIEDHN C=CCC(C)(C)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000506341156 1042334651 /nfs/dbraw/zinc/33/46/51/1042334651.db2.gz OZNKRPQUMIAZHH-UHFFFAOYSA-N 0 3 343.515 4.066 20 30 EIEDHN N#CC1(CCCN(Cc2ccc(F)cc2F)C2CC2)CCOCC1 ZINC000282099444 1042355568 /nfs/dbraw/zinc/35/55/68/1042355568.db2.gz VZHAZVQUOXZACD-UHFFFAOYSA-N 0 3 334.410 4.030 20 30 EIEDHN C=CCc1cc(CN(CC)[C@@H](C)c2cccc(O)c2)cc(OC)c1O ZINC000509558488 1042379188 /nfs/dbraw/zinc/37/91/88/1042379188.db2.gz PQOKUPSPVRAYEK-HNNXBMFYSA-N 0 3 341.451 4.418 20 30 EIEDHN C=CCN(CCc1ccco1)Cc1ccc(OC(F)F)c(OC)c1 ZINC000491342850 1042416304 /nfs/dbraw/zinc/41/63/04/1042416304.db2.gz LCYSCHDBIINWAZ-UHFFFAOYSA-N 0 3 337.366 4.120 20 30 EIEDHN CCCOCc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271915111 1042517705 /nfs/dbraw/zinc/51/77/05/1042517705.db2.gz GGNLFMIYDGTGKB-OAHLLOKOSA-N 0 3 326.415 4.475 20 30 EIEDHN CCCC(=O)Nc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271919009 1042519134 /nfs/dbraw/zinc/51/91/34/1042519134.db2.gz HCYHHFYTODTJBB-CQSZACIVSA-N 0 3 339.414 4.287 20 30 EIEDHN CCCC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271919008 1042519512 /nfs/dbraw/zinc/51/95/12/1042519512.db2.gz HCYHHFYTODTJBB-AWEZNQCLSA-N 0 3 339.414 4.287 20 30 EIEDHN CCN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H](C)C(C)C ZINC000174863821 1042717282 /nfs/dbraw/zinc/71/72/82/1042717282.db2.gz OYUZJNQKIZLDPE-INIZCTEOSA-N 0 3 325.456 4.104 20 30 EIEDHN Cc1ccn(C)c1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000190663539 1042882048 /nfs/dbraw/zinc/88/20/48/1042882048.db2.gz BAFOMAKNVJIJBI-NSHDSACASA-N 0 3 329.812 4.087 20 30 EIEDHN N#Cc1cccc(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000067401001 1042882609 /nfs/dbraw/zinc/88/26/09/1042882609.db2.gz DPNXMBAIXNGJGE-FQEVSTJZSA-N 0 3 340.854 4.157 20 30 EIEDHN C=CCC[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1 ZINC000427645189 1043106746 /nfs/dbraw/zinc/10/67/46/1043106746.db2.gz MHFJYHRHDXTBPV-BDTNDASRSA-N 0 3 348.490 4.298 20 30 EIEDHN COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OC2CCCC2)c1 ZINC000185850760 1043225869 /nfs/dbraw/zinc/22/58/69/1043225869.db2.gz HFTBHPIEZUSRGH-DOTOQJQBSA-N 0 3 328.456 4.189 20 30 EIEDHN COc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1Br ZINC000030912874 1043235054 /nfs/dbraw/zinc/23/50/54/1043235054.db2.gz CDMMQMAONULWDJ-GFCCVEGCSA-N 0 3 345.240 4.180 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@H](CCCCC)c2ccccc2)CC1 ZINC000730128491 1043449642 /nfs/dbraw/zinc/44/96/42/1043449642.db2.gz QFMJPPGMSBUUAN-HXUWFJFHSA-N 0 3 343.515 4.258 20 30 EIEDHN Clc1ccc(C#CCN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000494445926 1043490051 /nfs/dbraw/zinc/49/00/51/1043490051.db2.gz SQMFZUGKLNVLJZ-RBUKOAKNSA-N 0 3 346.257 4.465 20 30 EIEDHN C[C@H](CNc1ccc(C#N)c(Cl)c1)N1CCc2sccc2C1 ZINC000521085449 1043520985 /nfs/dbraw/zinc/52/09/85/1043520985.db2.gz XKZMISCHHORMBC-GFCCVEGCSA-N 0 3 331.872 4.132 20 30 EIEDHN N#CC1CCC(CN[C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000442874234 1043873645 /nfs/dbraw/zinc/87/36/45/1043873645.db2.gz STPXLAMLYCBMOZ-NODKNVJMSA-N 0 3 341.405 4.369 20 30 EIEDHN COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(CC#N)cc2)c1 ZINC000543139991 1043956042 /nfs/dbraw/zinc/95/60/42/1043956042.db2.gz HFADVWJKUWMFQL-HXUWFJFHSA-N 0 3 336.435 4.107 20 30 EIEDHN CCOc1ccc(C2=CCN(Cc3ccc(CC#N)cc3)CC2)cc1 ZINC000543187771 1044066288 /nfs/dbraw/zinc/06/62/88/1044066288.db2.gz IXJBZKBAHIFWCK-UHFFFAOYSA-N 0 3 332.447 4.441 20 30 EIEDHN COc1ccccc1CC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000733052660 1044077891 /nfs/dbraw/zinc/07/78/91/1044077891.db2.gz NZBCHLPJIMYFAN-HNNXBMFYSA-N 0 3 348.402 4.282 20 30 EIEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000067978612 1044089140 /nfs/dbraw/zinc/08/91/40/1044089140.db2.gz FSXSBLANWGDYOO-CYBMUJFWSA-N 0 3 334.341 4.350 20 30 EIEDHN COc1ccc([C@H](C)NCc2cccc(OCCCC#N)c2)cc1F ZINC000237252033 1044323815 /nfs/dbraw/zinc/32/38/15/1044323815.db2.gz VQRIBDJCRWIIIT-HNNXBMFYSA-N 0 3 342.414 4.368 20 30 EIEDHN Oc1ccc2ccccc2c1/C=N/CCN1CCc2ccccc2C1 ZINC000914556715 1044477769 /nfs/dbraw/zinc/47/77/69/1044477769.db2.gz FPQATGKZHHUSBR-HZHRSRAPSA-N 0 3 330.431 4.023 20 30 EIEDHN N#CC(C(=O)c1ccc(-c2ccco2)s1)c1nc2ccccc2[nH]1 ZINC000675905855 1044575118 /nfs/dbraw/zinc/57/51/18/1044575118.db2.gz DZCXSIZVCOUEKU-LLVKDONJSA-N 0 3 333.372 4.374 20 30 EIEDHN C[C@@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H](C)C1 ZINC000443644951 1044602205 /nfs/dbraw/zinc/60/22/05/1044602205.db2.gz ZOVRZXRHSUDYJB-SJORKVTESA-N 0 3 337.467 4.106 20 30 EIEDHN C=CC[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000495049218 1044614411 /nfs/dbraw/zinc/61/44/11/1044614411.db2.gz QZBUYRIFGKSAPV-YADHBBJMSA-N 0 3 348.490 4.127 20 30 EIEDHN N#Cc1cccc(CN[C@H]2CCc3ccc(Br)cc32)c1 ZINC000193160079 1044657474 /nfs/dbraw/zinc/65/74/74/1044657474.db2.gz LTRKBHJTIUOGBZ-KRWDZBQOSA-N 0 3 327.225 4.098 20 30 EIEDHN COc1ccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cc1OC(F)F ZINC000118392831 1044668015 /nfs/dbraw/zinc/66/80/15/1044668015.db2.gz YGESNACWNWXNAI-ZDUSSCGKSA-N 0 3 346.377 4.361 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(COC)cc2)c([O-])c1 ZINC000914773474 1044763241 /nfs/dbraw/zinc/76/32/41/1044763241.db2.gz IUMKYWIQEGFYMY-STZFKDTASA-N 0 3 326.440 4.004 20 30 EIEDHN N#CCc1ccc(CN(CCc2ccccc2)Cc2cccnc2)cc1 ZINC000429294244 1044906255 /nfs/dbraw/zinc/90/62/55/1044906255.db2.gz QHVQKEIHDDLZOZ-UHFFFAOYSA-N 0 3 341.458 4.393 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000303282286 1044975843 /nfs/dbraw/zinc/97/58/43/1044975843.db2.gz FPHBUCFBDQEFIV-LJQANCHMSA-N 0 3 343.515 4.114 20 30 EIEDHN C=CC[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccncc1 ZINC000766020551 1045224263 /nfs/dbraw/zinc/22/42/63/1045224263.db2.gz QIHYSZUYMSTCGP-HNAYVOBHSA-N 0 3 337.423 4.006 20 30 EIEDHN Cc1ccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1C ZINC000611252099 1045264974 /nfs/dbraw/zinc/26/49/74/1045264974.db2.gz DJOHFAMQCJBTOZ-AWEZNQCLSA-N 0 3 339.395 4.298 20 30 EIEDHN Cc1ccc(F)c(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000611252112 1045265405 /nfs/dbraw/zinc/26/54/05/1045265405.db2.gz FOIAJVVNADMKCB-LLVKDONJSA-N 0 3 343.358 4.129 20 30 EIEDHN CC(C)[C@H](NCc1ccnc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000611385898 1045295468 /nfs/dbraw/zinc/29/54/68/1045295468.db2.gz HVGOFAXCFRSXDJ-KRWDZBQOSA-N 0 3 333.357 4.459 20 30 EIEDHN CCC(=O)Nc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390878 1045302773 /nfs/dbraw/zinc/30/27/73/1045302773.db2.gz IPCRDMHIJTUGOG-FQEVSTJZSA-N 0 3 333.435 4.074 20 30 EIEDHN Cc1ccc(F)cc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000193770109 1045466568 /nfs/dbraw/zinc/46/65/68/1045466568.db2.gz LKVCWMNWFJNFAO-CYBMUJFWSA-N 0 3 343.308 4.369 20 30 EIEDHN CC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1ccccc1 ZINC000743472755 1045816397 /nfs/dbraw/zinc/81/63/97/1045816397.db2.gz IXUZILLTKPENSD-RXVVDRJESA-N 0 3 349.478 4.371 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cccc(COC)c2)c([O-])c1 ZINC000915979350 1045851626 /nfs/dbraw/zinc/85/16/26/1045851626.db2.gz NZKUXIXGNHWJOX-STZFKDTASA-N 0 3 326.440 4.004 20 30 EIEDHN CC[C@@H](Oc1ccccc1F)C(=O)C(C#N)c1nccc2ccccc21 ZINC000792106025 1045858282 /nfs/dbraw/zinc/85/82/82/1045858282.db2.gz OXEIKGJJRJKMLN-FUHWJXTLSA-N 0 3 348.377 4.408 20 30 EIEDHN CN(CCC#N)c1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000249826506 1045904602 /nfs/dbraw/zinc/90/46/02/1045904602.db2.gz QORGCQRFTBIJKO-FGZHOGPDSA-N 0 3 349.478 4.046 20 30 EIEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@H](C)Cc1ccccc1Cl)C2 ZINC001170285184 1045987330 /nfs/dbraw/zinc/98/73/30/1045987330.db2.gz RCNHXYDYWYUFTJ-IMFGXOCKSA-N 0 3 349.902 4.097 20 30 EIEDHN N#Cc1cccc([C@H](O)CN2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001170289863 1045990736 /nfs/dbraw/zinc/99/07/36/1045990736.db2.gz AJKRXBVSXMUIQG-VQTJNVASSA-N 0 3 340.854 4.472 20 30 EIEDHN N#Cc1cccc([C@@H](O)CN2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001170289861 1045991261 /nfs/dbraw/zinc/99/12/61/1045991261.db2.gz AJKRXBVSXMUIQG-PMACEKPBSA-N 0 3 340.854 4.472 20 30 EIEDHN C=CCCCCC[C@@H](C)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000793521198 1046262398 /nfs/dbraw/zinc/26/23/98/1046262398.db2.gz VSCSNJOJFOSORJ-CYBMUJFWSA-N 0 3 340.393 4.363 20 30 EIEDHN C=CCCCCC[C@H](C)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000793521199 1046263790 /nfs/dbraw/zinc/26/37/90/1046263790.db2.gz VSCSNJOJFOSORJ-ZDUSSCGKSA-N 0 3 340.393 4.363 20 30 EIEDHN N#CC[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000796652693 1046329664 /nfs/dbraw/zinc/32/96/64/1046329664.db2.gz CQBGFOVITQQPQM-CVEARBPZSA-N 0 3 329.359 4.092 20 30 EIEDHN N#CC1(CCCN(Cc2ccco2)Cc2ccccc2)CCOCC1 ZINC000282072928 1046358886 /nfs/dbraw/zinc/35/88/86/1046358886.db2.gz TTXNDDNCGPHLHP-UHFFFAOYSA-N 0 3 338.451 4.382 20 30 EIEDHN N#CC(C(=O)c1coc(Br)c1)c1ccc2ccccc2n1 ZINC000916848744 1046374091 /nfs/dbraw/zinc/37/40/91/1046374091.db2.gz PIKPNMLNJLSJJF-GFCCVEGCSA-N 0 3 341.164 4.080 20 30 EIEDHN N#CC(C(=O)C1C2CC3CC(C2)CC1C3)c1ccc2ccccc2n1 ZINC000916848732 1046375560 /nfs/dbraw/zinc/37/55/60/1046375560.db2.gz PDOXMZJAYKAQQA-OFSFZPRKSA-N 0 3 330.431 4.483 20 30 EIEDHN N#Cc1ccc(CN[C@H]2CCCc3ccc(Br)cc32)cc1 ZINC000771380026 1046377890 /nfs/dbraw/zinc/37/78/90/1046377890.db2.gz DXCXFNOEIAHRDT-SFHVURJKSA-N 0 3 341.252 4.488 20 30 EIEDHN N#CC(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1nc2ccccc2[nH]1 ZINC000916844620 1046387354 /nfs/dbraw/zinc/38/73/54/1046387354.db2.gz QMFAJGQYWULSBP-IJLUTSLNSA-N 0 3 335.329 4.108 20 30 EIEDHN Cc1ccc([C@H](CNc2nc(Cl)c(C#N)s2)N2CCCC2)cc1 ZINC000804393743 1046436541 /nfs/dbraw/zinc/43/65/41/1046436541.db2.gz AYBJNPVRNUWDRC-AWEZNQCLSA-N 0 3 346.887 4.226 20 30 EIEDHN Cc1cc(Br)cc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000785617851 1046729448 /nfs/dbraw/zinc/72/94/48/1046729448.db2.gz WVYLLXJPJCLULE-SFHVURJKSA-N 0 3 341.252 4.406 20 30 EIEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000537030089 1046906834 /nfs/dbraw/zinc/90/68/34/1046906834.db2.gz YYLZBWOSCMDZRF-RHSMWYFYSA-N 0 3 347.890 4.112 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCCCC#N)cc1 ZINC000805854994 1047038837 /nfs/dbraw/zinc/03/88/37/1047038837.db2.gz BGLGGXOJGGLBTH-MAUKXSAKSA-N 0 3 339.439 4.322 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806146305 1047171245 /nfs/dbraw/zinc/17/12/45/1047171245.db2.gz MWVQTFOVUOWNHN-RHSMWYFYSA-N 0 3 341.842 4.193 20 30 EIEDHN CCOc1ccc(O)c(/C=N\C[C@@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000746815818 1047426861 /nfs/dbraw/zinc/42/68/61/1047426861.db2.gz NMELCKOCKGZWGH-UMUMUWHJSA-N 0 3 346.858 4.166 20 30 EIEDHN FC(F)(F)C1(C(F)(F)F)CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000556124904 1047465276 /nfs/dbraw/zinc/46/52/76/1047465276.db2.gz DIELKQMRYLHEPK-QMMMGPOBSA-N 0 3 325.243 4.239 20 30 EIEDHN C=C[C@H](CC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000533919626 1047692675 /nfs/dbraw/zinc/69/26/75/1047692675.db2.gz SGWCZGGVRZPUKD-KNKQGSTJSA-N 0 3 348.490 4.298 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556532479 1047811041 /nfs/dbraw/zinc/81/10/41/1047811041.db2.gz SXDAMWGIFXRRRT-HNNXBMFYSA-N 0 3 341.405 4.110 20 30 EIEDHN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCC(C)(C)CCC#N ZINC000808429256 1047895048 /nfs/dbraw/zinc/89/50/48/1047895048.db2.gz GPSHFGNFCOQXIO-UHFFFAOYSA-N 0 3 348.853 4.393 20 30 EIEDHN CC(=NN=C(C(=O)c1ccccc1)c1ccccc1)C1CCN(C)CC1 ZINC000814693140 1048135303 /nfs/dbraw/zinc/13/53/03/1048135303.db2.gz YJUMYEKSDQDAFL-UHFFFAOYSA-N 0 3 347.462 4.076 20 30 EIEDHN CC(C)[C@@H](NCc1ccc(C#N)cc1Cl)[C@@H](O)c1ccccc1 ZINC000844326510 1048295001 /nfs/dbraw/zinc/29/50/01/1048295001.db2.gz GQNIWRQEMYJKDX-MOPGFXCFSA-N 0 3 328.843 4.059 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(SC)s2)c1 ZINC000810144656 1048647757 /nfs/dbraw/zinc/64/77/57/1048647757.db2.gz DKEHFFDMVZNOEZ-AWEZNQCLSA-N 0 3 332.494 4.441 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H](CO)c1ccc(Cl)cc1Cl ZINC001171190333 1048693059 /nfs/dbraw/zinc/69/30/59/1048693059.db2.gz SDKHEODUTMQDHE-KZULUSFZSA-N 0 3 349.261 4.119 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)NCC(=O)c1ccc(Cl)c(Cl)c1 ZINC001171190274 1048693417 /nfs/dbraw/zinc/69/34/17/1048693417.db2.gz RFECAUXHVLHLJG-GFCCVEGCSA-N 0 3 347.245 4.269 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001171193674 1048697576 /nfs/dbraw/zinc/69/75/76/1048697576.db2.gz YCUXUJUEHVHUCA-CVEARBPZSA-N 0 3 330.435 4.245 20 30 EIEDHN N#CC(C(=O)CCCc1ccccc1Cl)C(=O)Nc1ccccc1 ZINC000810529481 1048808677 /nfs/dbraw/zinc/80/86/77/1048808677.db2.gz HQNRGPHMBLHILS-MRXNPFEDSA-N 0 3 340.810 4.010 20 30 EIEDHN CCOc1ccc(O)c(/C=N\C[C@H](c2ccc(CC)cc2)N(C)C)c1 ZINC000920944777 1048819551 /nfs/dbraw/zinc/81/95/51/1048819551.db2.gz KFDZLZLLNNUXDP-IDCRMVTHSA-N 0 3 340.467 4.075 20 30 EIEDHN CN(Cc1ccc(C#N)c(F)c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001170860486 1048932335 /nfs/dbraw/zinc/93/23/35/1048932335.db2.gz IVJNVHHEYCHQSA-VQTJNVASSA-N 0 3 338.426 4.375 20 30 EIEDHN N#CCC1(N[C@H]2CCc3ccc(Br)cc3C2)CCCC1 ZINC001170867597 1048963710 /nfs/dbraw/zinc/96/37/10/1048963710.db2.gz JDRDJVPGQAZJKT-INIZCTEOSA-N 0 3 333.273 4.122 20 30 EIEDHN N#CC[C@@H]1CC[C@H](N[C@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817585432 1049013868 /nfs/dbraw/zinc/01/38/68/1049013868.db2.gz MDYKGHCXHVDVSK-GAFUQQFSSA-N 0 3 340.290 4.029 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/CCCOC2CCCCC2)c([O-])c1 ZINC000747713207 1049058971 /nfs/dbraw/zinc/05/89/71/1049058971.db2.gz QIVFGOJAECBZGY-LTGZKZEYSA-N 0 3 332.488 4.397 20 30 EIEDHN CC(=NNC[C@H]1CCSC1)c1ccc(N2CCCCCC2)cc1 ZINC000811659936 1049199069 /nfs/dbraw/zinc/19/90/69/1049199069.db2.gz BXKKHSAQQJTOHB-QGZVFWFLSA-N 0 3 331.529 4.134 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000772983177 1049201827 /nfs/dbraw/zinc/20/18/27/1049201827.db2.gz JURGMVPINLAHSZ-FXAWDEMLSA-N 0 3 336.435 4.371 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000772983180 1049202029 /nfs/dbraw/zinc/20/20/29/1049202029.db2.gz JURGMVPINLAHSZ-YLJYHZDGSA-N 0 3 336.435 4.371 20 30 EIEDHN CCc1ccc(CNCc2ccc(OC)c(OCCCC#N)c2)s1 ZINC000064614020 1049371465 /nfs/dbraw/zinc/37/14/65/1049371465.db2.gz UAFFGAXWDVKGSV-UHFFFAOYSA-N 0 3 344.480 4.291 20 30 EIEDHN C[C@H](NN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1)c1ccncc1 ZINC000819818472 1049374998 /nfs/dbraw/zinc/37/49/98/1049374998.db2.gz MQOFMYBKSABSNY-HRAATJIYSA-N 0 3 334.467 4.088 20 30 EIEDHN C[C@@H](CNc1cc(Cl)ccc1C#N)N1CCc2ccccc2C1 ZINC000609891680 1049382704 /nfs/dbraw/zinc/38/27/04/1049382704.db2.gz YXRAOOKAPDRMLL-AWEZNQCLSA-N 0 3 325.843 4.070 20 30 EIEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nc(C(C)(C)C)ccc1C#N ZINC001170681683 1049518263 /nfs/dbraw/zinc/51/82/63/1049518263.db2.gz VBTYOYMPAQSYKC-AWEZNQCLSA-N 0 3 345.450 4.123 20 30 EIEDHN C=CCOCc1cccc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c1 ZINC001170686467 1049577624 /nfs/dbraw/zinc/57/76/24/1049577624.db2.gz SFBHRGUNDAQQJY-INIZCTEOSA-N 0 3 333.435 4.262 20 30 EIEDHN C#CC[C@@H]1CCCN(Cc2cc(Br)cc3cccnc32)C1 ZINC001171489986 1049719161 /nfs/dbraw/zinc/71/91/61/1049719161.db2.gz LPYZTBJZMDRRNR-CQSZACIVSA-N 0 3 343.268 4.233 20 30 EIEDHN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(C#N)cc1 ZINC000179727560 1049732097 /nfs/dbraw/zinc/73/20/97/1049732097.db2.gz IXYXARYCQVHKHQ-LHSJRXKWSA-N 0 3 334.419 4.131 20 30 EIEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CCC2)C[C@@H]1C(C)(C)C ZINC001171584588 1049750547 /nfs/dbraw/zinc/75/05/47/1049750547.db2.gz IRJZXBLJYQLVHT-JKSUJKDBSA-N 0 3 349.519 4.084 20 30 EIEDHN C=CCN1CCC(NC(=O)[C@H]2CC23CCC(C(C)(C)CC)CC3)CC1 ZINC001136669732 1049821909 /nfs/dbraw/zinc/82/19/09/1049821909.db2.gz MVZBOSASIPDTDU-IMYXXEESSA-N 0 3 346.559 4.386 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@@H](c1ncccc1Cl)C1CC1 ZINC001172304020 1049873956 /nfs/dbraw/zinc/87/39/56/1049873956.db2.gz GZQVTVMFCPYWPP-FZKQIMNGSA-N 0 3 325.843 4.279 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCSC[C@@H]1c1ccc(F)cc1 ZINC001172320604 1049877748 /nfs/dbraw/zinc/87/77/48/1049877748.db2.gz WRVPEYMVIBQPGT-MGPUTAFESA-N 0 3 340.467 4.418 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCSC[C@@H]1c1ccc(F)cc1 ZINC001172320603 1049877757 /nfs/dbraw/zinc/87/77/57/1049877757.db2.gz WRVPEYMVIBQPGT-FOIQADDNSA-N 0 3 340.467 4.418 20 30 EIEDHN CC[C@H](C)CN(CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000248326049 1050049198 /nfs/dbraw/zinc/04/91/98/1050049198.db2.gz BQOBZOZFKZJPKZ-JKSUJKDBSA-N 0 3 347.528 4.245 20 30 EIEDHN C[C@@H](Cc1c(F)cccc1Cl)NC(=N)c1ccc2ccccc2n1 ZINC001172852105 1050189933 /nfs/dbraw/zinc/18/99/33/1050189933.db2.gz OOQDCDOLYBGPRX-LBPRGKRZSA-N 0 3 341.817 4.364 20 30 EIEDHN Cc1ccccc1NC(=O)C[C@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000090665230 1050198266 /nfs/dbraw/zinc/19/82/66/1050198266.db2.gz QQFVXLYPVHMCKR-PXNSSMCTSA-N 0 3 335.451 4.347 20 30 EIEDHN CC1(C#N)CCC(NCc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001173584803 1050492385 /nfs/dbraw/zinc/49/23/85/1050492385.db2.gz NDZODSWGNDATGR-UHFFFAOYSA-N 0 3 331.769 4.316 20 30 EIEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000618802759 1050519326 /nfs/dbraw/zinc/51/93/26/1050519326.db2.gz FPWCDPSCXDGGLT-LIRRHRJNSA-N 0 3 334.419 4.058 20 30 EIEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(OC(F)F)cc1 ZINC000618802263 1050519367 /nfs/dbraw/zinc/51/93/67/1050519367.db2.gz HRAAKQSLBXTAJM-KPZWWZAWSA-N 0 3 328.362 4.498 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC[C@H](C)SC)cc1 ZINC000773770644 1050554813 /nfs/dbraw/zinc/55/48/13/1050554813.db2.gz OVYHBECWOSVOJO-GRDNDAEWSA-N 0 3 346.496 4.379 20 30 EIEDHN CN(C)Cc1ccccc1Nc1ccc(Br)c(C#N)c1 ZINC001173931946 1050652622 /nfs/dbraw/zinc/65/26/22/1050652622.db2.gz NWJWETAMLBAJKK-UHFFFAOYSA-N 0 3 330.229 4.126 20 30 EIEDHN C#CCC[C@@H](O)CNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC001179488912 1050702915 /nfs/dbraw/zinc/70/29/15/1050702915.db2.gz ADRGWDGHDQMIER-CYBMUJFWSA-N 0 3 338.234 4.117 20 30 EIEDHN CC1(c2ccc(Cl)cc2)CCN(Cc2ccnc(C#N)c2)CC1 ZINC000619281540 1050739247 /nfs/dbraw/zinc/73/92/47/1050739247.db2.gz MIIRCBVEOOCCAY-UHFFFAOYSA-N 0 3 325.843 4.160 20 30 EIEDHN C=CCOc1ccc(CNCc2c(C)nc3ccccn32)cc1Cl ZINC001179758566 1050775325 /nfs/dbraw/zinc/77/53/25/1050775325.db2.gz JLZLVQMNHQPODV-UHFFFAOYSA-N 0 3 341.842 4.151 20 30 EIEDHN C[C@H](NCc1ccc(OCc2ccccn2)cc1)c1ccc(C#N)cc1 ZINC000070693819 1050814258 /nfs/dbraw/zinc/81/42/58/1050814258.db2.gz UALRTSYJNQZSRI-KRWDZBQOSA-N 0 3 343.430 4.383 20 30 EIEDHN N#C[C@@H]1CC[C@@H](N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)C1 ZINC000619672585 1050849912 /nfs/dbraw/zinc/84/99/12/1050849912.db2.gz ALVTVZQVFGCBGL-ZTNFWEORSA-N 0 3 348.425 4.199 20 30 EIEDHN Cc1ccc(CC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)o1 ZINC000775225881 1050927693 /nfs/dbraw/zinc/92/76/93/1050927693.db2.gz BSIVHCKEININET-LBPRGKRZSA-N 0 3 330.796 4.270 20 30 EIEDHN C=CC[N@@H+](CCc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC001180280945 1050953451 /nfs/dbraw/zinc/95/34/51/1050953451.db2.gz RHQZOYFRAGBLMQ-UHFFFAOYSA-N 0 3 331.843 4.285 20 30 EIEDHN C=CC[N@H+](CCc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC001180280945 1050953464 /nfs/dbraw/zinc/95/34/64/1050953464.db2.gz RHQZOYFRAGBLMQ-UHFFFAOYSA-N 0 3 331.843 4.285 20 30 EIEDHN CO[C@H](C)c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000183105809 1050980232 /nfs/dbraw/zinc/98/02/32/1050980232.db2.gz HZCHDGKZNJJGSC-QGZVFWFLSA-N 0 3 349.478 4.342 20 30 EIEDHN Cc1cccc(OCCN(C)Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC001190390155 1051164054 /nfs/dbraw/zinc/16/40/54/1051164054.db2.gz CBWIFUTVWAJVTA-UHFFFAOYSA-N 0 3 348.368 4.396 20 30 EIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001190458209 1051192474 /nfs/dbraw/zinc/19/24/74/1051192474.db2.gz YWIZUAVYHPJFDV-IBGZPJMESA-N 0 3 349.833 4.209 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000775407309 1051262247 /nfs/dbraw/zinc/26/22/47/1051262247.db2.gz DMOTYAAXBNQCLH-UGKGYDQZSA-N 0 3 345.446 4.406 20 30 EIEDHN C=C(CNCc1c(C)nn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000620756491 1051273808 /nfs/dbraw/zinc/27/38/08/1051273808.db2.gz FCBYRDNQDVPJOV-UHFFFAOYSA-N 0 3 335.426 4.431 20 30 EIEDHN COc1ccccc1[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001191182132 1051390862 /nfs/dbraw/zinc/39/08/62/1051390862.db2.gz PFYZEJJWVKKELB-INIZCTEOSA-N 0 3 326.827 4.210 20 30 EIEDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC001191232122 1051404455 /nfs/dbraw/zinc/40/44/55/1051404455.db2.gz GFZPXHNFXUQYQH-RTWAWAEBSA-N 0 3 347.462 4.155 20 30 EIEDHN C=CCCCCCN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000156779622 1051563789 /nfs/dbraw/zinc/56/37/89/1051563789.db2.gz GZSOSUDDLTWZDB-UHFFFAOYSA-N 0 3 328.456 4.313 20 30 EIEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000774382155 1051568350 /nfs/dbraw/zinc/56/83/50/1051568350.db2.gz SDULGOHWICFWEA-JTNHKYCSSA-N 0 3 325.239 4.489 20 30 EIEDHN CC(C)C[C@H]1CCCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001191911019 1051575295 /nfs/dbraw/zinc/57/52/95/1051575295.db2.gz WILOLSUKGTYFMI-MRXNPFEDSA-N 0 3 333.863 4.051 20 30 EIEDHN C#CC[C@H]1CCCN(Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC001182545023 1051635782 /nfs/dbraw/zinc/63/57/82/1051635782.db2.gz UBAJXKUZOYRQGQ-ZDUSSCGKSA-N 0 3 332.419 4.324 20 30 EIEDHN C#C[C@@H]1CCCN(C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C1 ZINC001182603947 1051656387 /nfs/dbraw/zinc/65/63/87/1051656387.db2.gz BUMFILOFUQZLEH-SJORKVTESA-N 0 3 336.520 4.051 20 30 EIEDHN C=CCN1CC[C@H](NC2(c3ccc(C(C)(C)C)cc3)CCCC2)C1=O ZINC001192585573 1051770490 /nfs/dbraw/zinc/77/04/90/1051770490.db2.gz WTGXUZNHKPCZEC-IBGZPJMESA-N 0 3 340.511 4.130 20 30 EIEDHN COc1cccc2c(CN3CCc4c(CC#N)cccc4C3)cccc12 ZINC001183181786 1051802096 /nfs/dbraw/zinc/80/20/96/1051802096.db2.gz YIPSTMDLFNLCNQ-UHFFFAOYSA-N 0 3 342.442 4.473 20 30 EIEDHN C#C[C@@](C)(CC)NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC001194505818 1052161585 /nfs/dbraw/zinc/16/15/85/1052161585.db2.gz VLYUXGJXUOUPSP-QFIPXVFZSA-N 0 3 348.446 4.037 20 30 EIEDHN CCC[C@](C)(NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC001176891606 1052201438 /nfs/dbraw/zinc/20/14/38/1052201438.db2.gz KCKLTMKBNBANKK-FQEVSTJZSA-N 0 3 339.439 4.012 20 30 EIEDHN CCN(CC)[C@@H](CNCc1csc(C#N)c1)c1ccccc1Cl ZINC001177117509 1052227841 /nfs/dbraw/zinc/22/78/41/1052227841.db2.gz XGKDOUHUSGLREF-SFHVURJKSA-N 0 3 347.915 4.446 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2c[nH]nc2-c2ccccc2)c1 ZINC000073012562 1052672754 /nfs/dbraw/zinc/67/27/54/1052672754.db2.gz PGXHVRTYBFSGPX-IBGZPJMESA-N 0 3 346.434 4.047 20 30 EIEDHN C=CCC[C@@H](NCC(=O)N[C@@H](C)c1cccs1)c1ccccc1 ZINC000180047568 1052776144 /nfs/dbraw/zinc/77/61/44/1052776144.db2.gz MBUIEJSIDPDNHV-DOTOQJQBSA-N 0 3 328.481 4.222 20 30 EIEDHN Cc1ccc([C@@H](C)NCC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000182332691 1052927178 /nfs/dbraw/zinc/92/71/78/1052927178.db2.gz UBDVLCPRSWPHJP-LJQANCHMSA-N 0 3 349.478 4.209 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc3ccc(C)cc3[nH]2)c1 ZINC000850137840 1053078116 /nfs/dbraw/zinc/07/81/16/1053078116.db2.gz XGHWFHRXUWXCTE-LJQANCHMSA-N 0 3 333.435 4.447 20 30 EIEDHN CCCCCCCCCOC(=O)N1CCC2SC(=O)C=C2C1 ZINC001194911833 1053165720 /nfs/dbraw/zinc/16/57/20/1053165720.db2.gz WCXOSSBCDZVLRE-OAHLLOKOSA-N 0 3 325.474 4.148 20 30 EIEDHN C#CCN[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000764598244 1053221351 /nfs/dbraw/zinc/22/13/51/1053221351.db2.gz FNMDKXZLPKHWAF-JTQLQIEISA-N 0 3 335.270 4.165 20 30 EIEDHN CC(C)(C)OC(=O)CC1(NCc2cccc(C#N)c2F)CCCCC1 ZINC001195569451 1053438519 /nfs/dbraw/zinc/43/85/19/1053438519.db2.gz ZYXJIXBNTAGGIF-UHFFFAOYSA-N 0 3 346.446 4.222 20 30 EIEDHN CN(CCCCOc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC001196827879 1053783649 /nfs/dbraw/zinc/78/36/49/1053783649.db2.gz BTMYPFPNOIOVRY-YOEHRIQHSA-N 0 3 340.389 4.488 20 30 EIEDHN CN(CCCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC001196827875 1053784672 /nfs/dbraw/zinc/78/46/72/1053784672.db2.gz BTMYPFPNOIOVRY-RHSMWYFYSA-N 0 3 340.389 4.488 20 30 EIEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCCn3nccc32)cc1 ZINC000866632898 1053811635 /nfs/dbraw/zinc/81/16/35/1053811635.db2.gz PVODJXIDYXUBCD-RHSMWYFYSA-N 0 3 331.847 4.200 20 30 EIEDHN C=CCC1(NCc2ncc(Br)cc2F)CCCCC1 ZINC001196952649 1053812138 /nfs/dbraw/zinc/81/21/38/1053812138.db2.gz JMCBNSODDQMQPL-UHFFFAOYSA-N 0 3 327.241 4.352 20 30 EIEDHN C=CCc1cc(CN[C@H](C)c2ccc(F)cc2)cc(OC)c1OC ZINC000112538668 1053839191 /nfs/dbraw/zinc/83/91/91/1053839191.db2.gz XPUMNBISLWVPDC-CQSZACIVSA-N 0 3 329.415 4.422 20 30 EIEDHN CCc1ccc(CNCc2ccc(OC)c(O[C@@H](C#N)CC)c2)cc1 ZINC000113348171 1053923343 /nfs/dbraw/zinc/92/33/43/1053923343.db2.gz OBMQMMCBVJDHNO-LJQANCHMSA-N 0 3 338.451 4.228 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2cc(C)ccc2C)ccc1OC ZINC000113347636 1053924828 /nfs/dbraw/zinc/92/48/28/1053924828.db2.gz XKEUGFLTXRTVGA-IBGZPJMESA-N 0 3 338.451 4.283 20 30 EIEDHN Cc1ccc2[nH]c([C@@H]3CCCN(Cc4ccccc4C#N)C3)nc2c1 ZINC000130775198 1054139718 /nfs/dbraw/zinc/13/97/18/1054139718.db2.gz JTYPIOOXKIIPID-GOSISDBHSA-N 0 3 330.435 4.123 20 30 EIEDHN Cc1ccc2nc([C@@H]3CCCN(Cc4ccccc4C#N)C3)[nH]c2c1 ZINC000130775198 1054139720 /nfs/dbraw/zinc/13/97/20/1054139720.db2.gz JTYPIOOXKIIPID-GOSISDBHSA-N 0 3 330.435 4.123 20 30 EIEDHN FC(F)(F)Oc1ccc(C#CCN[C@@H](c2ccncc2)C2CC2)cc1 ZINC001198498580 1054167782 /nfs/dbraw/zinc/16/77/82/1054167782.db2.gz KMHMNQLESSDQBZ-GOSISDBHSA-N 0 3 346.352 4.073 20 30 EIEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023831 1054403947 /nfs/dbraw/zinc/40/39/47/1054403947.db2.gz RDKYKXBKCXPMFJ-NRFANRHFSA-N 0 3 347.462 4.183 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052183 1054410478 /nfs/dbraw/zinc/41/04/78/1054410478.db2.gz UYTXJPFFSGZINQ-QRWLVFNGSA-N 0 3 333.435 4.045 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc(C#N)cc1 ZINC000552881377 1054484621 /nfs/dbraw/zinc/48/46/21/1054484621.db2.gz VAFXEWRBLKCDSP-KGLIPLIRSA-N 0 3 333.435 4.200 20 30 EIEDHN CC[C@H](CNCc1ccc(C#N)cc1F)Oc1cccc(Cl)c1 ZINC001200980738 1054594178 /nfs/dbraw/zinc/59/41/78/1054594178.db2.gz PMFXYLHVEPIFSL-MRXNPFEDSA-N 0 3 332.806 4.298 20 30 EIEDHN N#CCOc1ccc(CN2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000859416725 1054672958 /nfs/dbraw/zinc/67/29/58/1054672958.db2.gz UHLPAOWQQPZDRH-KRWDZBQOSA-N 0 3 342.389 4.247 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C1CCC1)C1CCC1 ZINC000860449895 1054814229 /nfs/dbraw/zinc/81/42/29/1054814229.db2.gz IMCDVSQXKVSWKO-KRWDZBQOSA-N 0 3 335.451 4.356 20 30 EIEDHN COc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1C#N ZINC001201475536 1054828606 /nfs/dbraw/zinc/82/86/06/1054828606.db2.gz VPKPQZAHXMBJDC-RTWAWAEBSA-N 0 3 345.446 4.300 20 30 EIEDHN C#CCOc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001201478166 1054830973 /nfs/dbraw/zinc/83/09/73/1054830973.db2.gz ZCNQYRPMLAXAGR-YADHBBJMSA-N 0 3 344.458 4.431 20 30 EIEDHN CCCCCCCN1CCO[C@H]2[C@H](OCc3cccc(C)n3)CC[C@@H]21 ZINC001201762463 1054900796 /nfs/dbraw/zinc/90/07/96/1054900796.db2.gz MAIKZKNKPUKCLA-PWRODBHTSA-N 0 3 346.515 4.109 20 30 EIEDHN CCCCCCCCN1CC[C@@H](n2cc(Br)cn2)C1 ZINC001201839682 1054932258 /nfs/dbraw/zinc/93/22/58/1054932258.db2.gz GZSXWYZDXOGDBT-OAHLLOKOSA-N 0 3 328.298 4.253 20 30 EIEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 ZINC000876600956 1054934397 /nfs/dbraw/zinc/93/43/97/1054934397.db2.gz WETOAQCQLXQGBR-ZBFHGGJFSA-N 0 3 348.899 4.308 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(C)C[C@@H](C)c1ccccc1)c1ccccc1 ZINC000878044466 1055178517 /nfs/dbraw/zinc/17/85/17/1055178517.db2.gz PFISORDNKOJTSL-GCJKJVERSA-N 0 3 334.463 4.163 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(C)C[C@H](C)c1ccccc1)c1ccccc1 ZINC000878044467 1055179564 /nfs/dbraw/zinc/17/95/64/1055179564.db2.gz PFISORDNKOJTSL-PGRDOPGGSA-N 0 3 334.463 4.163 20 30 EIEDHN C#CCOc1ccc(CNCc2ccc(SC(F)F)cc2)cc1 ZINC001202466232 1055181369 /nfs/dbraw/zinc/18/13/69/1055181369.db2.gz KWMRSFFIQLNQDX-UHFFFAOYSA-N 0 3 333.403 4.303 20 30 EIEDHN CCS[C@@H]1CCCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878098683 1055187844 /nfs/dbraw/zinc/18/78/44/1055187844.db2.gz ZVINPORAKGYRIH-UXHICEINSA-N 0 3 344.524 4.035 20 30 EIEDHN CCS[C@H]1CCCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878098684 1055187897 /nfs/dbraw/zinc/18/78/97/1055187897.db2.gz ZVINPORAKGYRIH-VQTJNVASSA-N 0 3 344.524 4.035 20 30 EIEDHN CCS[C@H]1CCCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878098680 1055188052 /nfs/dbraw/zinc/18/80/52/1055188052.db2.gz ZVINPORAKGYRIH-PMACEKPBSA-N 0 3 344.524 4.035 20 30 EIEDHN CCCCCCCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000126964142 1055207594 /nfs/dbraw/zinc/20/75/94/1055207594.db2.gz YUSYQPXHHDSYOY-UHFFFAOYSA-N 0 3 346.515 4.190 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000112515241 1055232704 /nfs/dbraw/zinc/23/27/04/1055232704.db2.gz BGYPESRPBYKHOF-JKSUJKDBSA-N 0 3 328.481 4.002 20 30 EIEDHN C=CC[C@@H]1N(Cc2nnc(-c3cccc(O)c3)o2)CCCC1(C)C ZINC000878515838 1055331976 /nfs/dbraw/zinc/33/19/76/1055331976.db2.gz JBRMIRCTYYUGLR-INIZCTEOSA-N 0 3 327.428 4.009 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000302095352 1056017574 /nfs/dbraw/zinc/01/75/74/1056017574.db2.gz IUDLIMWNABZRPR-NRFANRHFSA-N 0 3 333.435 4.010 20 30 EIEDHN CC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934374 1056799058 /nfs/dbraw/zinc/79/90/58/1056799058.db2.gz IQGSSIKRLIRQNA-BBWFWOEESA-N 0 3 349.478 4.179 20 30 EIEDHN CCCCCCCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000742964095 1058822516 /nfs/dbraw/zinc/82/25/16/1058822516.db2.gz XHLJZPSGEYAULX-IBGZPJMESA-N 0 3 330.516 4.470 20 30 EIEDHN CS[C@@H](C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000103330489 1060907405 /nfs/dbraw/zinc/90/74/05/1060907405.db2.gz NZXYEIQNUVQJMQ-CABZTGNLSA-N 0 3 336.869 4.391 20 30 EIEDHN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(O[C@H](C)C#N)cc1)CCC2 ZINC000245749888 1032460009 /nfs/dbraw/zinc/46/00/09/1032460009.db2.gz NOSRDWFKAONKPL-ACJLOTCBSA-N 0 3 341.480 4.252 20 30 EIEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000533288561 1032600503 /nfs/dbraw/zinc/60/05/03/1032600503.db2.gz OPRQJBMBLRPQRY-DLBZAZTESA-N 0 3 334.529 4.478 20 30 EIEDHN N#CC(C(=O)C=Cc1nc2ccccc2s1)c1nc2ccccc2[nH]1 ZINC000255000794 1019777518 /nfs/dbraw/zinc/77/75/18/1019777518.db2.gz IGVFHDAGVYUXCB-ZWLSGLHFSA-N 0 3 344.399 4.062 20 30 EIEDHN CCC(CC)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000728913949 1032861861 /nfs/dbraw/zinc/86/18/61/1032861861.db2.gz FHIGDLVPBJEHMQ-OAHLLOKOSA-N 0 3 341.480 4.126 20 30 EIEDHN CCCCCCCCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155250231 1020397820 /nfs/dbraw/zinc/39/78/20/1020397820.db2.gz OXMQBZVDXGYQOL-GOSISDBHSA-N 0 3 345.531 4.474 20 30 EIEDHN C=C(C)COc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000610345125 1021341069 /nfs/dbraw/zinc/34/10/69/1021341069.db2.gz SPHYLPYCOFRBRD-MRXNPFEDSA-N 0 3 336.435 4.373 20 30 EIEDHN COc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000610345272 1021341638 /nfs/dbraw/zinc/34/16/38/1021341638.db2.gz ZAJUCGYKSZTOLB-GFCCVEGCSA-N 0 3 330.815 4.080 20 30 EIEDHN CC[C@@]1(CN[C@@H](C)c2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000580060139 1021708560 /nfs/dbraw/zinc/70/85/60/1021708560.db2.gz RPFKUVDQAHJGEE-BTYIYWSLSA-N 0 3 338.426 4.226 20 30 EIEDHN COc1ccc(CN(C)Cc2ccccc2C)cc1OCCCC#N ZINC000160527483 1021832327 /nfs/dbraw/zinc/83/23/27/1021832327.db2.gz FQDMONZEOFEHTO-UHFFFAOYSA-N 0 3 338.451 4.318 20 30 EIEDHN Cc1cc(CCCC(=O)C(C#N)C(=O)Nc2ccccc2)c(C)s1 ZINC000175943451 1022003902 /nfs/dbraw/zinc/00/39/02/1022003902.db2.gz HRMBWNIISBOBIO-KRWDZBQOSA-N 0 3 340.448 4.035 20 30 EIEDHN CN1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@@H]1c1ccccc1 ZINC000613430900 1022012475 /nfs/dbraw/zinc/01/24/75/1022012475.db2.gz HXOBHTQIGOWVSS-HKUYNNGSSA-N 0 3 334.467 4.108 20 30 EIEDHN COc1cc(CN2[C@H](C)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000548096884 1022025222 /nfs/dbraw/zinc/02/52/22/1022025222.db2.gz RTXHMNDNJXFZND-IYBDPMFKSA-N 0 3 336.435 4.129 20 30 EIEDHN C[C@H](NC[C@@]1(C)OCCc2sccc21)c1ccc(C#N)cc1Cl ZINC000580501951 1022122090 /nfs/dbraw/zinc/12/20/90/1022122090.db2.gz WOWDQZDWDFPTIN-KPZWWZAWSA-N 0 3 346.883 4.412 20 30 EIEDHN CC(C)(NCc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000188899473 1022334120 /nfs/dbraw/zinc/33/41/20/1022334120.db2.gz HQWJKCNSUINZPN-UHFFFAOYSA-N 0 3 334.341 4.482 20 30 EIEDHN CC(=O)c1cc(C(=O)C(C#N)c2ccc3ccccc3n2)ccc1C ZINC000684011027 1022349909 /nfs/dbraw/zinc/34/99/09/1022349909.db2.gz NGCUIJYUZCAIOL-GOSISDBHSA-N 0 3 328.371 4.236 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2cc(F)ccc2C)ccc1OC ZINC000180207581 1022450770 /nfs/dbraw/zinc/45/07/70/1022450770.db2.gz VNGNJZCFKSSVLF-SFHVURJKSA-N 0 3 342.414 4.114 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000160622228 1022471409 /nfs/dbraw/zinc/47/14/09/1022471409.db2.gz JQYPPMHAZAZVTM-CQSZACIVSA-N 0 3 346.377 4.211 20 30 EIEDHN C[C@H]1Cc2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)ccc2O1 ZINC000581083026 1022825093 /nfs/dbraw/zinc/82/50/93/1022825093.db2.gz OMROOFHMYCKOQR-SMDDNHRTSA-N 0 3 340.448 4.254 20 30 EIEDHN N#Cc1csc(CN[C@@H]2CCCc3cc(OC(F)F)ccc32)c1 ZINC000343855483 1022893443 /nfs/dbraw/zinc/89/34/43/1022893443.db2.gz SDXRLXUSNFZYKY-MRXNPFEDSA-N 0 3 334.391 4.388 20 30 EIEDHN COc1ccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000135172296 1023175219 /nfs/dbraw/zinc/17/52/19/1023175219.db2.gz OLAFYXNKHZSTKG-INIZCTEOSA-N 0 3 347.418 4.088 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc(-c3cccnc3)c2)cc1 ZINC000364062762 1023229026 /nfs/dbraw/zinc/22/90/26/1023229026.db2.gz IKJHXCNSIHHFQF-QGZVFWFLSA-N 0 3 343.430 4.329 20 30 EIEDHN CC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000341221246 1023398972 /nfs/dbraw/zinc/39/89/72/1023398972.db2.gz UIQQPBBFLOZUFA-PXNSSMCTSA-N 0 3 335.451 4.063 20 30 EIEDHN CN(CC1CCC(C#N)CC1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000930998831 1023461701 /nfs/dbraw/zinc/46/17/01/1023461701.db2.gz REGKBDUAOMNDCA-SEEARECTSA-N 0 3 341.282 4.289 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccc(Cl)s1 ZINC000123047123 1023464866 /nfs/dbraw/zinc/46/48/66/1023464866.db2.gz LNVFAXRVZMBBGF-LBPRGKRZSA-N 0 3 343.839 4.097 20 30 EIEDHN CN(Cc1ccc(C#N)cc1F)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132725 1023470719 /nfs/dbraw/zinc/47/07/19/1023470719.db2.gz OEWIEAYMBBLSJE-PZJWPPBQSA-N 0 3 338.426 4.297 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc2ccc(Cl)cn12 ZINC000418138318 1023554360 /nfs/dbraw/zinc/55/43/60/1023554360.db2.gz CODKYIPGJZXPMY-GOSISDBHSA-N 0 3 336.826 4.027 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1c[nH]nc1-c1cccs1 ZINC000418146411 1023564289 /nfs/dbraw/zinc/56/42/89/1023564289.db2.gz PIATVLLWFYQTDC-QGZVFWFLSA-N 0 3 334.448 4.177 20 30 EIEDHN C=C(C)CNCc1cc(Br)ccc1OCc1ccccn1 ZINC000119661167 1023682375 /nfs/dbraw/zinc/68/23/75/1023682375.db2.gz TVMLDFBFXVAWCW-UHFFFAOYSA-N 0 3 347.256 4.089 20 30 EIEDHN COc1ccc(C[C@H]2CCCN(Cc3cc(C#N)ccc3F)C2)cc1 ZINC000566789457 1023814196 /nfs/dbraw/zinc/81/41/96/1023814196.db2.gz BTWVQBQTEGUJIT-GOSISDBHSA-N 0 3 338.426 4.161 20 30 EIEDHN CC(C)OCCCN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000047613657 1023990682 /nfs/dbraw/zinc/99/06/82/1023990682.db2.gz LQWOVIGANFBNCQ-UHFFFAOYSA-N 0 3 347.462 4.247 20 30 EIEDHN CC[C@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(C)cc1 ZINC000181705924 1024011316 /nfs/dbraw/zinc/01/13/16/1024011316.db2.gz QKYCCDMABOPXBI-KDOFPFPSSA-N 0 3 339.439 4.144 20 30 EIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000661115352 1024240070 /nfs/dbraw/zinc/24/00/70/1024240070.db2.gz BROWWAQFGHYQHH-DOMZBBRYSA-N 0 3 331.847 4.213 20 30 EIEDHN Cc1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)n1-c1ccccc1 ZINC000341696931 1024338546 /nfs/dbraw/zinc/33/85/46/1024338546.db2.gz GGUYUYFIOXKODZ-QFIPXVFZSA-N 0 3 342.446 4.220 20 30 EIEDHN COc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341758863 1024616106 /nfs/dbraw/zinc/61/61/06/1024616106.db2.gz DTUVMFIDNVOONG-LIRRHRJNSA-N 0 3 336.435 4.304 20 30 EIEDHN C=C(CCc1nc(-c2ccc(CN(C)C)cc2)no1)c1ccccc1 ZINC001211694236 1025229401 /nfs/dbraw/zinc/22/94/01/1025229401.db2.gz IMLFAPFOALFABH-UHFFFAOYSA-N 0 3 333.435 4.444 20 30 EIEDHN N#Cc1ccc(OCCN[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000071982641 1026027968 /nfs/dbraw/zinc/02/79/68/1026027968.db2.gz NUJQYTLIIAVGGO-QFIPXVFZSA-N 0 3 346.405 4.455 20 30 EIEDHN N#CCCCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000344362163 1026277016 /nfs/dbraw/zinc/27/70/16/1026277016.db2.gz RQZQJRGRAGGWJM-UHFFFAOYSA-N 0 3 345.786 4.434 20 30 EIEDHN CC(C)CC[C@@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000158147778 1026524254 /nfs/dbraw/zinc/52/42/54/1026524254.db2.gz WPLGHCKXAROVOI-SFHVURJKSA-N 0 3 338.455 4.399 20 30 EIEDHN CCN(CCCCC(C)(C)C#N)CC(=O)Nc1c(C)cccc1C ZINC000277601785 1026638360 /nfs/dbraw/zinc/63/83/60/1026638360.db2.gz FDUOXCSMKJAACO-UHFFFAOYSA-N 0 3 329.488 4.284 20 30 EIEDHN C=CCOc1c(Br)cc(CN(C)C2CC2)cc1OCC ZINC000507132051 1026656698 /nfs/dbraw/zinc/65/66/98/1026656698.db2.gz INRZBPFKFYPLMD-UHFFFAOYSA-N 0 3 340.261 4.007 20 30 EIEDHN CC[C@H](C)[C@H](C)N(CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000427002187 1026675561 /nfs/dbraw/zinc/67/55/61/1026675561.db2.gz NJPXRSPYLTWJRB-AAEUAGOBSA-N 0 3 333.501 4.074 20 30 EIEDHN C=CCCOCCN[C@H](C)c1cc2cc(Br)ccc2o1 ZINC000224759758 1027053814 /nfs/dbraw/zinc/05/38/14/1027053814.db2.gz WDVZPQGLGXAOLO-GFCCVEGCSA-N 0 3 338.245 4.439 20 30 EIEDHN C=CCS(=O)(=O)CCN[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000783531515 1027240347 /nfs/dbraw/zinc/24/03/47/1027240347.db2.gz JAEVVIDGGRYBFV-INIZCTEOSA-N 0 3 343.920 4.008 20 30 EIEDHN COC[C@H](N[C@@H](C)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000925097873 1027290233 /nfs/dbraw/zinc/29/02/33/1027290233.db2.gz RDIGHSPLKNKQMQ-WFASDCNBSA-N 0 3 328.378 4.311 20 30 EIEDHN C=CCN(CC=C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000514127888 1027433655 /nfs/dbraw/zinc/43/36/55/1027433655.db2.gz ADNZLUSSEROJFG-UHFFFAOYSA-N 0 3 336.435 4.482 20 30 EIEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000329358374 1027747145 /nfs/dbraw/zinc/74/71/45/1027747145.db2.gz XCEGQHINYZSYIC-RVKKMQEKSA-N 0 3 344.503 4.205 20 30 EIEDHN COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1CCCCC(C)(C)C#N ZINC000444652150 1027924766 /nfs/dbraw/zinc/92/47/66/1027924766.db2.gz WRCBGBAXFYXUOV-ZWKOTPCHSA-N 0 3 334.504 4.150 20 30 EIEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000444668374 1027950423 /nfs/dbraw/zinc/95/04/23/1027950423.db2.gz USMDUWAZKDZHON-ZBFHGGJFSA-N 0 3 333.501 4.076 20 30 EIEDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000444668371 1027953848 /nfs/dbraw/zinc/95/38/48/1027953848.db2.gz USMDUWAZKDZHON-GOEBONIOSA-N 0 3 333.501 4.076 20 30 EIEDHN Cc1cc(CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1F ZINC000444745008 1028031433 /nfs/dbraw/zinc/03/14/33/1028031433.db2.gz RTJPBIMPNJBYHP-UHFFFAOYSA-N 0 3 348.425 4.038 20 30 EIEDHN C=C1CC(c2noc([C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)C1 ZINC000896885522 1028179143 /nfs/dbraw/zinc/17/91/43/1028179143.db2.gz ZKMVUSNHQNGTPU-OAHLLOKOSA-N 0 3 327.403 4.022 20 30 EIEDHN Cc1cc(C)c(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)c(Cl)c1 ZINC000330253439 1028236351 /nfs/dbraw/zinc/23/63/51/1028236351.db2.gz IWJFXQAITCMOHF-YLQAJVPDSA-N 0 3 336.863 4.090 20 30 EIEDHN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330270297 1028243075 /nfs/dbraw/zinc/24/30/75/1028243075.db2.gz TXDZDNDXFJZXAP-POZUXBRTSA-N 0 3 330.472 4.252 20 30 EIEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1ncc(-c2ccccc2)o1 ZINC000281256669 1028491836 /nfs/dbraw/zinc/49/18/36/1028491836.db2.gz HESALYFRTJWISL-INIZCTEOSA-N 0 3 339.439 4.093 20 30 EIEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C)CC[C@H]1C ZINC000346723129 1028609363 /nfs/dbraw/zinc/60/93/63/1028609363.db2.gz SHULVXRMXSAFNW-MRXNPFEDSA-N 0 3 329.488 4.096 20 30 EIEDHN Cn1cc(CN2CCC(C)(c3cccc(Cl)c3)CC2)cc1C#N ZINC000475629934 1028663253 /nfs/dbraw/zinc/66/32/53/1028663253.db2.gz YOQMWTOCQBPVKS-UHFFFAOYSA-N 0 3 327.859 4.104 20 30 EIEDHN Cc1cc(CNc2cccc(CN3CCSCC3)c2)ccc1C#N ZINC000444003463 1028727785 /nfs/dbraw/zinc/72/77/85/1028727785.db2.gz NRDKIDJFULNZBE-UHFFFAOYSA-N 0 3 337.492 4.028 20 30 EIEDHN N#Cc1cccc(OC2CCN(CCc3ccccc3Cl)CC2)c1 ZINC000524665954 1029157096 /nfs/dbraw/zinc/15/70/96/1029157096.db2.gz JIEZVVKODJFRMP-UHFFFAOYSA-N 0 3 340.854 4.298 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CCCC)cc2)CC1 ZINC000524668796 1029158996 /nfs/dbraw/zinc/15/89/96/1029158996.db2.gz XJGXQBPHXKHGAO-UHFFFAOYSA-N 0 3 329.488 4.191 20 30 EIEDHN Cc1cc(CN(C)Cc2cccc(OCCCC#N)c2)ccc1F ZINC000446972975 1029662073 /nfs/dbraw/zinc/66/20/73/1029662073.db2.gz BRCJWYXMWRCRBO-UHFFFAOYSA-N 0 3 326.415 4.449 20 30 EIEDHN C=C(C)C[C@H](C)C(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 ZINC000185774460 1030221988 /nfs/dbraw/zinc/22/19/88/1030221988.db2.gz OLMGSJNOBQSVRS-INIZCTEOSA-N 0 3 346.540 4.438 20 30 EIEDHN C=CCN(C)CCN(CC)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000429718869 1030231989 /nfs/dbraw/zinc/23/19/89/1030231989.db2.gz BFZKARFFTUAZGY-UHFFFAOYSA-N 0 3 347.890 4.243 20 30 EIEDHN N#CCc1ccc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000451140966 1030251304 /nfs/dbraw/zinc/25/13/04/1030251304.db2.gz BTNSPXRDXXKYEJ-UHFFFAOYSA-N 0 3 346.352 4.430 20 30 EIEDHN C=CC1CCN(Cc2ccc(OC)cc2OCc2cccnc2)CC1 ZINC000447741781 1030317407 /nfs/dbraw/zinc/31/74/07/1030317407.db2.gz NQWHWLKDCMGBAC-UHFFFAOYSA-N 0 3 338.451 4.067 20 30 EIEDHN CCC(C)(C)c1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000128263290 1030392724 /nfs/dbraw/zinc/39/27/24/1030392724.db2.gz QZSGFAPOQRSRFE-UHFFFAOYSA-N 0 3 332.451 4.183 20 30 EIEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)n1C(C)C ZINC000190925654 1030590438 /nfs/dbraw/zinc/59/04/38/1030590438.db2.gz LHSNJZQVSOIFIX-INIZCTEOSA-N 0 3 332.407 4.119 20 30 EIEDHN COc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c(C)cc1C ZINC000475672430 1030710620 /nfs/dbraw/zinc/71/06/20/1030710620.db2.gz SUJVDSMLHLZOIC-UHFFFAOYSA-N 0 3 349.478 4.260 20 30 EIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc(Br)c1 ZINC000399250266 1030747606 /nfs/dbraw/zinc/74/76/06/1030747606.db2.gz LGMAVHOHKIUHSF-ZDUSSCGKSA-N 0 3 329.241 4.366 20 30 EIEDHN C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)NCC(C)(C)C#N ZINC000310043395 1030992190 /nfs/dbraw/zinc/99/21/90/1030992190.db2.gz GAKITVGDYHXVHE-JKSUJKDBSA-N 0 3 337.508 4.084 20 30 EIEDHN Cc1cc(N(CCC#N)C(=O)CN(C(C)C)C2CCC2)ccc1Cl ZINC000347369815 1031053394 /nfs/dbraw/zinc/05/33/94/1031053394.db2.gz HWNKGBZLUIAGDH-UHFFFAOYSA-N 0 3 347.890 4.158 20 30 EIEDHN CCN(Cc1ccccc1OCCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464008 1031078954 /nfs/dbraw/zinc/07/89/54/1031078954.db2.gz UXDHFMDAZZKQFO-KRWDZBQOSA-N 0 3 338.451 4.167 20 30 EIEDHN N#CC(C(=O)Nc1cccc(F)c1)c1nc2cc(Cl)ccc2s1 ZINC000161404137 1031246644 /nfs/dbraw/zinc/24/66/44/1031246644.db2.gz VOVIIBZDLJQRLA-LBPRGKRZSA-N 0 3 345.786 4.335 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000179787265 1031291994 /nfs/dbraw/zinc/29/19/94/1031291994.db2.gz JAEPWVRMMHVNDE-MRXNPFEDSA-N 0 3 336.410 4.406 20 30 EIEDHN CC[C@](C)(COc1ncccc1Cl)NCc1ccc(C#N)cc1F ZINC000532567922 1031301424 /nfs/dbraw/zinc/30/14/24/1031301424.db2.gz MWYHKUVCMOLTSH-GOSISDBHSA-N 0 3 347.821 4.083 20 30 EIEDHN Cc1c(CN2CCSCC2)cccc1NC1CCC(C)(C#N)CC1 ZINC000449054655 1031409180 /nfs/dbraw/zinc/40/91/80/1031409180.db2.gz QJNDSJKVKUATLC-UHFFFAOYSA-N 0 3 343.540 4.428 20 30 EIEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000413812613 1031647944 /nfs/dbraw/zinc/64/79/44/1031647944.db2.gz CFNCGWBYQWXQBW-IBGZPJMESA-N 0 3 337.467 4.057 20 30 EIEDHN C[C@H](N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000453296454 1031815293 /nfs/dbraw/zinc/81/52/93/1031815293.db2.gz YSSUXCULQKNOAA-SCLBCKFNSA-N 0 3 348.368 4.351 20 30 EIEDHN C[C@@H](N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000453296453 1031815480 /nfs/dbraw/zinc/81/54/80/1031815480.db2.gz YSSUXCULQKNOAA-FZKQIMNGSA-N 0 3 348.368 4.351 20 30 EIEDHN C[C@@H](N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000453274169 1031820972 /nfs/dbraw/zinc/82/09/72/1031820972.db2.gz CPMQLHRPSUCDNU-FZKQIMNGSA-N 0 3 348.368 4.351 20 30 EIEDHN COc1ccc([C@@H](NCc2ccccc2C(C)(C)C#N)C2CC2)cn1 ZINC000528851758 1031891994 /nfs/dbraw/zinc/89/19/94/1031891994.db2.gz YBMZGRDGZCXFJP-FQEVSTJZSA-N 0 3 335.451 4.132 20 30 EIEDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000512636228 1033577455 /nfs/dbraw/zinc/57/74/55/1033577455.db2.gz KOEWESLLMQOORP-GDBMZVCRSA-N 0 3 341.405 4.156 20 30 EIEDHN C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1F ZINC000512636903 1033582615 /nfs/dbraw/zinc/58/26/15/1033582615.db2.gz PNTXICSDGRSIFB-XJKSGUPXSA-N 0 3 343.833 4.280 20 30 EIEDHN C[C@@H](N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(C#N)cc1F ZINC000512655674 1033627186 /nfs/dbraw/zinc/62/71/86/1033627186.db2.gz WFXSBXVLFMWKNB-CZUORRHYSA-N 0 3 343.833 4.280 20 30 EIEDHN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433011258 1033650042 /nfs/dbraw/zinc/65/00/42/1033650042.db2.gz NTDWJFOGMXFBJE-MISYRCLQSA-N 0 3 341.499 4.048 20 30 EIEDHN CCN(C(=O)CN[C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433021232 1033671258 /nfs/dbraw/zinc/67/12/58/1033671258.db2.gz QAJRDKMVDOWNRE-HXUWFJFHSA-N 0 3 335.451 4.064 20 30 EIEDHN Cc1cccc(CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1C ZINC000428756008 1034294225 /nfs/dbraw/zinc/29/42/25/1034294225.db2.gz DKHUGHOZEHODTO-UHFFFAOYSA-N 0 3 344.462 4.208 20 30 EIEDHN CCC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000182329268 1034623986 /nfs/dbraw/zinc/62/39/86/1034623986.db2.gz DKSUTJIVJXRMLF-KRWDZBQOSA-N 0 3 341.480 4.306 20 30 EIEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2n[nH]cc2c1 ZINC000513419442 1034925885 /nfs/dbraw/zinc/92/58/85/1034925885.db2.gz HSWNODFIHLEFLV-CYBMUJFWSA-N 0 3 343.352 4.284 20 30 EIEDHN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 ZINC000182586355 1034971200 /nfs/dbraw/zinc/97/12/00/1034971200.db2.gz OQLQQSUBIHPVHY-DYVFJYSZSA-N 0 3 341.842 4.280 20 30 EIEDHN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1ccc(C#N)cc1OC ZINC000501200185 1035396217 /nfs/dbraw/zinc/39/62/17/1035396217.db2.gz BVGDDPDVOFOIJD-HXUWFJFHSA-N 0 3 336.435 4.085 20 30 EIEDHN COc1ccc(CNCC2(CC#N)CC2)cc1OCc1ccccc1 ZINC000430037910 1035448555 /nfs/dbraw/zinc/44/85/55/1035448555.db2.gz AFSUCSUCWXWWJH-UHFFFAOYSA-N 0 3 336.435 4.058 20 30 EIEDHN N#CC1(CNC2CCN(Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000594981204 1035512090 /nfs/dbraw/zinc/51/20/90/1035512090.db2.gz KOKPKWJWBZNZEJ-UHFFFAOYSA-N 0 3 345.918 4.368 20 30 EIEDHN CC(C)[C@@H](O)[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594990401 1035518164 /nfs/dbraw/zinc/51/81/64/1035518164.db2.gz PYTJPXZBCNYBJX-NHCUHLMSSA-N 0 3 334.463 4.090 20 30 EIEDHN Cc1c2ccccc2oc1[C@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC000484986026 1035544928 /nfs/dbraw/zinc/54/49/28/1035544928.db2.gz JCLIWZOGBPDWFD-HNNXBMFYSA-N 0 3 347.418 4.292 20 30 EIEDHN CC(C)OC(=O)c1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000595641071 1035756313 /nfs/dbraw/zinc/75/63/13/1035756313.db2.gz ZFJNQYUNLSZKMZ-UHFFFAOYSA-N 0 3 336.435 4.148 20 30 EIEDHN Cc1cccc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000485331759 1035826547 /nfs/dbraw/zinc/82/65/47/1035826547.db2.gz OEIWRWWXQQEVLK-DYESRHJHSA-N 0 3 347.462 4.021 20 30 EIEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1F ZINC000586796673 1035849935 /nfs/dbraw/zinc/84/99/35/1035849935.db2.gz SOGGSCGOTMFGJU-LOWVWBTDSA-N 0 3 325.225 4.321 20 30 EIEDHN COCc1ccc([C@H]2CCCN2Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000597088703 1036099931 /nfs/dbraw/zinc/09/99/31/1036099931.db2.gz MOAJPXVGMAFFOJ-LJQANCHMSA-N 0 3 336.435 4.318 20 30 EIEDHN COc1cc(CN(Cc2ccc(C3(C#N)CC3)cc2)C2CC2)ccc1O ZINC000597088470 1036101267 /nfs/dbraw/zinc/10/12/67/1036101267.db2.gz NMASVENIPQGZKW-UHFFFAOYSA-N 0 3 348.446 4.121 20 30 EIEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000597137696 1036119078 /nfs/dbraw/zinc/11/90/78/1036119078.db2.gz XLDVVQSXJTTZMO-LJQANCHMSA-N 0 3 340.854 4.061 20 30 EIEDHN C[C@@H](c1ccc(Cl)cc1)N1CCCN(c2ccccc2C#N)CC1 ZINC000060468820 1036136876 /nfs/dbraw/zinc/13/68/76/1036136876.db2.gz NPXZUNNDXKKVKF-INIZCTEOSA-N 0 3 339.870 4.485 20 30 EIEDHN COC[C@@H](C)Oc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000597160205 1036138479 /nfs/dbraw/zinc/13/84/79/1036138479.db2.gz KNXVXXIAFIDZTD-SJORKVTESA-N 0 3 338.451 4.165 20 30 EIEDHN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](C)CCC#N ZINC000602428982 1036445965 /nfs/dbraw/zinc/44/59/65/1036445965.db2.gz AUKOXUDFZCKHQF-LBPRGKRZSA-N 0 3 342.270 4.194 20 30 EIEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CCSc2c(F)cccc21 ZINC000602512130 1036487431 /nfs/dbraw/zinc/48/74/31/1036487431.db2.gz QDCRGORMAGNNJD-CZUORRHYSA-N 0 3 334.460 4.051 20 30 EIEDHN COc1cc2c(cc1OC)[C@@H](NC(C)(C)c1cccc(C#N)c1)CC2 ZINC000602706177 1036580828 /nfs/dbraw/zinc/58/08/28/1036580828.db2.gz IRDDAIUYXOEPIL-SFHVURJKSA-N 0 3 336.435 4.088 20 30 EIEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 ZINC000588980535 1036631304 /nfs/dbraw/zinc/63/13/04/1036631304.db2.gz XDAXTDCIPLDBRC-UHFFFAOYSA-N 0 3 330.378 4.144 20 30 EIEDHN CC(C)(C#N)c1ccc(CN[C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000589262080 1036720493 /nfs/dbraw/zinc/72/04/93/1036720493.db2.gz PYZYBQDZQBIRHM-HXUWFJFHSA-N 0 3 336.479 4.337 20 30 EIEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(OC(F)F)c1 ZINC000589336462 1036739985 /nfs/dbraw/zinc/73/99/85/1036739985.db2.gz JZPDWZALXGVEFS-SGTLLEGYSA-N 0 3 328.362 4.498 20 30 EIEDHN COc1cc(CN(C)Cc2ccc(C#N)c(C)c2)ccc1SC ZINC000486657205 1036799628 /nfs/dbraw/zinc/79/96/28/1036799628.db2.gz MWXZZXLHMCOBGV-UHFFFAOYSA-N 0 3 326.465 4.229 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)cc1C(F)(F)F ZINC000589513078 1036821059 /nfs/dbraw/zinc/82/10/59/1036821059.db2.gz WDUXWWJPZYFIHR-GOSISDBHSA-N 0 3 341.336 4.226 20 30 EIEDHN Cc1nc2ccccc2n1C1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599391066 1036996390 /nfs/dbraw/zinc/99/63/90/1036996390.db2.gz VJWJAEUONGGGDQ-UHFFFAOYSA-N 0 3 344.462 4.362 20 30 EIEDHN COc1ccccc1[C@@H](CC(C)C)NCc1ccc(OCC#N)cc1 ZINC000271841550 1037030694 /nfs/dbraw/zinc/03/06/94/1037030694.db2.gz ZMEWWMVFXLGUGA-HXUWFJFHSA-N 0 3 338.451 4.475 20 30 EIEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc([S@@](C)=O)cc1 ZINC000271848854 1037035012 /nfs/dbraw/zinc/03/50/12/1037035012.db2.gz VNEYVRAGUUIOFX-OYLFLEFRSA-N 0 3 340.492 4.076 20 30 EIEDHN C=CCC[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000487596139 1037164271 /nfs/dbraw/zinc/16/42/71/1037164271.db2.gz OAVAZVQGGQOOAN-RTWAWAEBSA-N 0 3 336.479 4.156 20 30 EIEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc(-c2ccccc2)nn1C ZINC000590778498 1037164454 /nfs/dbraw/zinc/16/44/54/1037164454.db2.gz QSCBAJILSPRQAO-FOIQADDNSA-N 0 3 342.446 4.297 20 30 EIEDHN C=CCC[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000487591068 1037168792 /nfs/dbraw/zinc/16/87/92/1037168792.db2.gz AKSYEMULNZLVTD-FGZHOGPDSA-N 0 3 348.490 4.127 20 30 EIEDHN CCOc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc(Cl)c1O ZINC000590962111 1037216680 /nfs/dbraw/zinc/21/66/80/1037216680.db2.gz AUKGBECDGVMJQN-QGZVFWFLSA-N 0 3 342.826 4.093 20 30 EIEDHN C=C(C)COc1cccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000591191158 1037321712 /nfs/dbraw/zinc/32/17/12/1037321712.db2.gz DYZVQDOBKKNZKV-LJQANCHMSA-N 0 3 330.472 4.091 20 30 EIEDHN Cc1cn2c(CN[C@H]3CCCc4cc(C#N)ccc43)c(C)nc2s1 ZINC000591357579 1037393977 /nfs/dbraw/zinc/39/39/77/1037393977.db2.gz SAKVOWGDDFXQFZ-KRWDZBQOSA-N 0 3 336.464 4.052 20 30 EIEDHN CN(Cc1ccc(C#N)cc1F)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521518 1037403390 /nfs/dbraw/zinc/40/33/90/1037403390.db2.gz OEWIEAYMBBLSJE-FPOVZHCZSA-N 0 3 338.426 4.297 20 30 EIEDHN COc1cc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000573887030 1037716485 /nfs/dbraw/zinc/71/64/85/1037716485.db2.gz UDSYBJMGRGBJHD-GFCCVEGCSA-N 0 3 334.341 4.436 20 30 EIEDHN C=CCN1CCC(NC(=O)c2sc3cccc(C)c3c2Cl)CC1 ZINC000592069499 1037734094 /nfs/dbraw/zinc/73/40/94/1037734094.db2.gz SDANPFRMFBVWFV-UHFFFAOYSA-N 0 3 348.899 4.243 20 30 EIEDHN N#Cc1cnccc1CN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000592122383 1037736459 /nfs/dbraw/zinc/73/64/59/1037736459.db2.gz LGSBXBCTVGVNCT-MSOLQXFVSA-N 0 3 345.368 4.398 20 30 EIEDHN CC[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1csc(C)c1 ZINC000592186345 1037742981 /nfs/dbraw/zinc/74/29/81/1037742981.db2.gz CNSMDAXRUYBTHC-SFHVURJKSA-N 0 3 341.480 4.044 20 30 EIEDHN CC[C@H](C)Oc1cc(CNCc2ccc(CC#N)cc2)ccc1OC ZINC000592371176 1037777512 /nfs/dbraw/zinc/77/75/12/1037777512.db2.gz ZCUWXARVHQCYMK-INIZCTEOSA-N 0 3 338.451 4.228 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cccs2)C(CC)CC)CC1 ZINC000592502120 1037821767 /nfs/dbraw/zinc/82/17/67/1037821767.db2.gz HACHBNBSAQUKQE-GOSISDBHSA-N 0 3 349.544 4.175 20 30 EIEDHN N#CCc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000574277185 1038050926 /nfs/dbraw/zinc/05/09/26/1038050926.db2.gz RZLARAKBBFHHNO-HXUWFJFHSA-N 0 3 335.407 4.218 20 30 EIEDHN CC1(C)C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)c2cc(N)ccc2O1 ZINC000423421196 1038208608 /nfs/dbraw/zinc/20/86/08/1038208608.db2.gz ATNQHWUQVQYZQA-RBUKOAKNSA-N 0 3 333.435 4.020 20 30 EIEDHN CC[C@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1 ZINC000423436384 1038236252 /nfs/dbraw/zinc/23/62/52/1038236252.db2.gz LVQMVIRRQACUNZ-OALUTQOASA-N 0 3 335.451 4.484 20 30 EIEDHN COc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1Cl ZINC000594033636 1038247133 /nfs/dbraw/zinc/24/71/33/1038247133.db2.gz WGNFNEQTBNLYEU-UHFFFAOYSA-N 0 3 326.827 4.389 20 30 EIEDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1F ZINC000172671991 1038249741 /nfs/dbraw/zinc/24/97/41/1038249741.db2.gz IHDDZZFRWJZIMI-OAHLLOKOSA-N 0 3 325.431 4.394 20 30 EIEDHN Cc1c([C@@H](C)N[C@@H](C)CC(C)(C)C#N)cnn1-c1ccc(F)cc1 ZINC000924849738 1038267899 /nfs/dbraw/zinc/26/78/99/1038267899.db2.gz OBTVQPQHAIEXBY-UONOGXRCSA-N 0 3 328.435 4.299 20 30 EIEDHN C=CCCCCCN(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000606918804 1038308880 /nfs/dbraw/zinc/30/88/80/1038308880.db2.gz QJLNGFWMDNWQAG-FQEVSTJZSA-N 0 3 343.515 4.211 20 30 EIEDHN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594429652 1038331859 /nfs/dbraw/zinc/33/18/59/1038331859.db2.gz VJFRXINWVHENFP-MOPGFXCFSA-N 0 3 341.499 4.059 20 30 EIEDHN COC[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc(CC#N)cc1 ZINC000490092984 1038344564 /nfs/dbraw/zinc/34/45/64/1038344564.db2.gz OMMAZVPMNZWTIG-LJQANCHMSA-N 0 3 328.843 4.226 20 30 EIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C1(C)CCCC1 ZINC000490176652 1038372798 /nfs/dbraw/zinc/37/27/98/1038372798.db2.gz QJMNKQLTCRPOHB-OAHLLOKOSA-N 0 3 345.512 4.141 20 30 EIEDHN C=C(Br)CNC1CC(c2ccc(Br)cc2)C1 ZINC000168231887 1038377352 /nfs/dbraw/zinc/37/73/52/1038377352.db2.gz SNYZWCWNGJLEBI-UHFFFAOYSA-N 0 3 345.078 4.193 20 30 EIEDHN N#CC1(c2ccc(CNCc3cccc(OCC(F)F)c3)cc2)CC1 ZINC000594922439 1038426847 /nfs/dbraw/zinc/42/68/47/1038426847.db2.gz UHIVJOXRCNEBKH-UHFFFAOYSA-N 0 3 342.389 4.175 20 30 EIEDHN C=CCOc1cccc(CN[C@H](Cc2nccn2C)c2ccccc2)c1 ZINC000608069681 1038485111 /nfs/dbraw/zinc/48/51/11/1038485111.db2.gz DRVUCZWPFMZIAN-OAQYLSRUSA-N 0 3 347.462 4.059 20 30 EIEDHN CC(C)(NCc1ccc(OCC(F)F)cc1)c1cccc(C#N)c1 ZINC000594968594 1038548528 /nfs/dbraw/zinc/54/85/28/1038548528.db2.gz JOMWHVDJRDSXKG-UHFFFAOYSA-N 0 3 330.378 4.227 20 30 EIEDHN CCCOc1c(Cl)cc(CN[C@@H]2CC[C@H](C#N)C2)cc1OCC ZINC000424194772 1038733800 /nfs/dbraw/zinc/73/38/00/1038733800.db2.gz LZCKXLQBPZTEQH-DZGCQCFKSA-N 0 3 336.863 4.309 20 30 EIEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000173954200 1038800395 /nfs/dbraw/zinc/80/03/95/1038800395.db2.gz IKAKJZROPJOLMM-GXFFZTMASA-N 0 3 340.395 4.085 20 30 EIEDHN N#C[C@H]1CC[C@@H](N[C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000424327529 1038807584 /nfs/dbraw/zinc/80/75/84/1038807584.db2.gz MTBSWEZSYOQMMM-WNMQOVRZSA-N 0 3 337.236 4.321 20 30 EIEDHN Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424326962 1038808085 /nfs/dbraw/zinc/80/80/85/1038808085.db2.gz MHGBVEDBXYGTAW-RRQGHBQHSA-N 0 3 325.481 4.385 20 30 EIEDHN C=C(C)COCCN[C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000539064011 1038809556 /nfs/dbraw/zinc/80/95/56/1038809556.db2.gz CYDAOTKLGMJDKK-CQSZACIVSA-N 0 3 333.863 4.077 20 30 EIEDHN COc1cc(C)c([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000554987992 1038812669 /nfs/dbraw/zinc/81/26/69/1038812669.db2.gz HTNFZHFSPMATIV-KUHUBIRLSA-N 0 3 336.435 4.222 20 30 EIEDHN Cc1ccc2nccc(N3CCC(Oc4cccc(C#N)c4)CC3)c2c1 ZINC000555123502 1038888005 /nfs/dbraw/zinc/88/80/05/1038888005.db2.gz JRFAMUCBBINZMP-UHFFFAOYSA-N 0 3 343.430 4.463 20 30 EIEDHN CC(C)C[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000539297616 1038945101 /nfs/dbraw/zinc/94/51/01/1038945101.db2.gz LTZRZIAMCGLMPJ-IEBWSBKVSA-N 0 3 349.906 4.071 20 30 EIEDHN CC[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@@H]1c1ccccc1 ZINC000537619936 1038958863 /nfs/dbraw/zinc/95/88/63/1038958863.db2.gz NJZVXIIREPACDR-RXVVDRJESA-N 0 3 344.462 4.222 20 30 EIEDHN Cc1cc(CN(C)C)cc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1 ZINC000455991974 1039034277 /nfs/dbraw/zinc/03/42/77/1039034277.db2.gz FVOPTFLXKGIHIH-UHFFFAOYSA-N 0 3 349.478 4.136 20 30 EIEDHN CC(C)(C)OC1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000092454154 1039546145 /nfs/dbraw/zinc/54/61/45/1039546145.db2.gz UAPPUIZHSSJFHV-UHFFFAOYSA-N 0 3 330.472 4.149 20 30 EIEDHN N#CCCn1cc(CN2CCC[C@@H]3CCC[C@@H]32)c(-c2ccccc2)n1 ZINC000092485442 1039548968 /nfs/dbraw/zinc/54/89/68/1039548968.db2.gz JLRCURYZBDVAFZ-PXNSSMCTSA-N 0 3 334.467 4.228 20 30 EIEDHN C=CCOc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)cc1OC ZINC000093315802 1039663523 /nfs/dbraw/zinc/66/35/23/1039663523.db2.gz LHBVBXZJOWUPOU-HNNXBMFYSA-N 0 3 327.424 4.159 20 30 EIEDHN COc1ccc(Oc2cc(CN[C@H](C)CC(C)(C)C#N)ccn2)cc1 ZINC000924705946 1039744517 /nfs/dbraw/zinc/74/45/17/1039744517.db2.gz CUSWYGDKVBYQMI-OAHLLOKOSA-N 0 3 339.439 4.300 20 30 EIEDHN C=C(C)CN(CC)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000514438265 1039892195 /nfs/dbraw/zinc/89/21/95/1039892195.db2.gz PSJRZWOKUJOGBH-QGZVFWFLSA-N 0 3 349.544 4.129 20 30 EIEDHN C=C(C)COCCN[C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479404791 1040305066 /nfs/dbraw/zinc/30/50/66/1040305066.db2.gz FJCSHXRUGYHDHY-MRXNPFEDSA-N 0 3 342.252 4.222 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(OCC(F)F)cc1 ZINC000425363898 1040334836 /nfs/dbraw/zinc/33/48/36/1040334836.db2.gz DGSULNHLYMCPOK-CQSZACIVSA-N 0 3 330.378 4.395 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000425366703 1040340285 /nfs/dbraw/zinc/34/02/85/1040340285.db2.gz QKVNIJDMECDJRU-OAHLLOKOSA-N 0 3 336.435 4.396 20 30 EIEDHN N#Cc1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)ccc1F ZINC000160796364 1040756705 /nfs/dbraw/zinc/75/67/05/1040756705.db2.gz VVPYGONSNRPYGF-OAHLLOKOSA-N 0 3 335.382 4.218 20 30 EIEDHN C[C@H]1CCN(Cc2cc(C#N)n(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483293226 1040800582 /nfs/dbraw/zinc/80/05/82/1040800582.db2.gz IBVSEVPKTYFVJN-UGSOOPFHSA-N 0 3 347.384 4.499 20 30 EIEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000539972960 1040951973 /nfs/dbraw/zinc/95/19/73/1040951973.db2.gz CBOPXRUTQRORGF-OLZOCXBDSA-N 0 3 348.899 4.410 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540048352 1041052579 /nfs/dbraw/zinc/05/25/79/1041052579.db2.gz VZSOUOJKPOLLHZ-MRXNPFEDSA-N 0 3 346.430 4.180 20 30 EIEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000484090228 1041117356 /nfs/dbraw/zinc/11/73/56/1041117356.db2.gz APZZKKRVJKYPQI-KPZWWZAWSA-N 0 3 332.806 4.217 20 30 EIEDHN C[C@H](CC(C)(C)C#N)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000924667859 1041430995 /nfs/dbraw/zinc/43/09/95/1041430995.db2.gz POSUFQUVIJITGZ-MRXNPFEDSA-N 0 3 335.451 4.357 20 30 EIEDHN C=CCNC(=O)CN[C@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000538581472 1041432386 /nfs/dbraw/zinc/43/23/86/1041432386.db2.gz PRIHJMMEHAKOFL-GFCCVEGCSA-N 0 3 334.872 4.021 20 30 EIEDHN CN(Cc1cccc(C#N)c1F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541700914 1042076490 /nfs/dbraw/zinc/07/64/90/1042076490.db2.gz GWZPBSAZWKIKSP-RBUKOAKNSA-N 0 3 342.389 4.189 20 30 EIEDHN C=CCc1cc(CN(C)[C@H](C)c2ccc(F)cc2)cc(OC)c1O ZINC000506260622 1042218101 /nfs/dbraw/zinc/21/81/01/1042218101.db2.gz XWUGTPKYWXHSRQ-CQSZACIVSA-N 0 3 329.415 4.461 20 30 EIEDHN CCN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542005371 1042227593 /nfs/dbraw/zinc/22/75/93/1042227593.db2.gz IYRVAYHTXXWBKG-IAGOWNOFSA-N 0 3 349.478 4.133 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000518003841 1042308851 /nfs/dbraw/zinc/30/88/51/1042308851.db2.gz SCYQWAHILISXAV-UHFFFAOYSA-N 0 3 342.270 4.155 20 30 EIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)[C@H](C)C(C)C)c1C#N ZINC000030150141 1042491995 /nfs/dbraw/zinc/49/19/95/1042491995.db2.gz RJLOAQZLXPSDEJ-OAHLLOKOSA-N 0 3 344.503 4.007 20 30 EIEDHN C[C@H](NCc1cccc(OCC(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000271920684 1042519556 /nfs/dbraw/zinc/51/95/56/1042519556.db2.gz DPVSPSQKYHZBNQ-LBPRGKRZSA-N 0 3 334.341 4.192 20 30 EIEDHN CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@H](O)c1c(F)cccc1F ZINC000271978884 1042601956 /nfs/dbraw/zinc/60/19/56/1042601956.db2.gz WMHVAEXVYAXJLD-RDBACFOTSA-N 0 3 348.368 4.138 20 30 EIEDHN Cc1cc(CNCc2ccc(Oc3cccnc3)c(F)c2)ccc1C#N ZINC000443978673 1042717253 /nfs/dbraw/zinc/71/72/53/1042717253.db2.gz MIKXVELDLXSMNN-UHFFFAOYSA-N 0 3 347.393 4.483 20 30 EIEDHN Cc1ccc([C@H](Cn2ccnc2)NCc2ccc(C#N)c(C)c2)c(C)c1 ZINC000443997640 1042739782 /nfs/dbraw/zinc/73/97/82/1042739782.db2.gz XVOBKSQIWCHFNE-QFIPXVFZSA-N 0 3 344.462 4.211 20 30 EIEDHN C[C@H](NCC(=O)Nc1sccc1C#N)c1cccc2ccccc21 ZINC000008269607 1043079425 /nfs/dbraw/zinc/07/94/25/1043079425.db2.gz IVWKYNDHZLXYSL-ZDUSSCGKSA-N 0 3 335.432 4.062 20 30 EIEDHN C=CCc1cc(CNC(C)(C)c2cccc(F)c2)cc(OC)c1O ZINC000076901916 1043169682 /nfs/dbraw/zinc/16/96/82/1043169682.db2.gz OJDFNTIJLUQNRL-UHFFFAOYSA-N 0 3 329.415 4.293 20 30 EIEDHN N#Cc1cccc(CNCc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000113355765 1043270658 /nfs/dbraw/zinc/27/06/58/1043270658.db2.gz IBNDEEUBXVUMOV-UHFFFAOYSA-N 0 3 338.414 4.391 20 30 EIEDHN C=CCOc1ccc(CN[C@@H]2CCc3cc(OC)c(OC)cc32)cc1 ZINC000287385572 1043370864 /nfs/dbraw/zinc/37/08/64/1043370864.db2.gz IMUAXWWQDHIEBT-LJQANCHMSA-N 0 3 339.435 4.046 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)ccc2C(C)(C)C)CC1 ZINC000670057421 1043393747 /nfs/dbraw/zinc/39/37/47/1043393747.db2.gz AMRYJDTWVRVQJQ-UHFFFAOYSA-N 0 3 349.906 4.409 20 30 EIEDHN C=CCN1CC[C@@H](N[C@@H](CCC)c2ccc(Cl)c(Cl)c2)C1=O ZINC000499602077 1043397213 /nfs/dbraw/zinc/39/72/13/1043397213.db2.gz JCKVZTCVJXEWJO-JKSUJKDBSA-N 0 3 341.282 4.211 20 30 EIEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1csc2ccccc21 ZINC000730024047 1043431002 /nfs/dbraw/zinc/43/10/02/1043431002.db2.gz ZXVGFRNNORHOBN-CABCVRRESA-N 0 3 328.481 4.141 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1csc2ccccc21 ZINC000730023983 1043431578 /nfs/dbraw/zinc/43/15/78/1043431578.db2.gz YKSVJPSVTXJJBX-LSDHHAIUSA-N 0 3 330.497 4.365 20 30 EIEDHN CC(C)CCSCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417772 1043511224 /nfs/dbraw/zinc/51/12/24/1043511224.db2.gz QULDNCGXHXYJIF-GFCCVEGCSA-N 0 3 336.457 4.391 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N(CCC)CC2CCCCC2)CC1 ZINC000171607047 1043627729 /nfs/dbraw/zinc/62/77/29/1043627729.db2.gz TZSVVMHCLBFBBJ-UHFFFAOYSA-N 0 3 335.536 4.029 20 30 EIEDHN CCOc1ccc(Oc2cc(CN[C@@H]3CC[C@H](C#N)C3)ccn2)cc1 ZINC000442716481 1043821917 /nfs/dbraw/zinc/82/19/17/1043821917.db2.gz OCOMVUKRHYTVAA-DOTOQJQBSA-N 0 3 337.423 4.054 20 30 EIEDHN N#Cc1ccc(OCC[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731848128 1043834487 /nfs/dbraw/zinc/83/44/87/1043834487.db2.gz TULOQKVKDVKTKM-UHFFFAOYSA-N 0 3 336.435 4.087 20 30 EIEDHN N#Cc1ccc(OCC[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731848128 1043834492 /nfs/dbraw/zinc/83/44/92/1043834492.db2.gz TULOQKVKDVKTKM-UHFFFAOYSA-N 0 3 336.435 4.087 20 30 EIEDHN COc1cccc([C@H]2C[C@H](C)CN2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442831440 1043859928 /nfs/dbraw/zinc/85/99/28/1043859928.db2.gz ADTLVQUMCFIPRK-MGPUTAFESA-N 0 3 336.435 4.159 20 30 EIEDHN C=CCc1cc(OC)cc(CN2CCc3sccc3[C@H]2C)c1O ZINC000732526594 1043945588 /nfs/dbraw/zinc/94/55/88/1043945588.db2.gz MDPJUQPOHRAJDY-CYBMUJFWSA-N 0 3 329.465 4.310 20 30 EIEDHN CC1(C)C[C@@H](NCc2ccc(CC#N)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000521873812 1044040097 /nfs/dbraw/zinc/04/00/97/1044040097.db2.gz PAFNIFNYVAYLQH-LJQANCHMSA-N 0 3 335.407 4.173 20 30 EIEDHN COCCSc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000543182059 1044058650 /nfs/dbraw/zinc/05/86/50/1044058650.db2.gz NKOSLBDORAMEAV-MRXNPFEDSA-N 0 3 340.492 4.342 20 30 EIEDHN CC(C)(C)[C@@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173760909 1044128832 /nfs/dbraw/zinc/12/88/32/1044128832.db2.gz GOMSQOHXJWCHRE-QGZVFWFLSA-N 0 3 338.455 4.256 20 30 EIEDHN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)c3cccc(C#N)c3)ccc2NC1=O ZINC000245820817 1044193085 /nfs/dbraw/zinc/19/30/85/1044193085.db2.gz AARGFYVUTJARIZ-LPMFXHHGSA-N 0 3 349.434 4.080 20 30 EIEDHN Cc1cc(Br)ccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000174075028 1044217934 /nfs/dbraw/zinc/21/79/34/1044217934.db2.gz HBPRIDSLXLGKRT-ZDUSSCGKSA-N 0 3 329.241 4.480 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc(OC(F)F)c2)c1 ZINC000733800079 1044315749 /nfs/dbraw/zinc/31/57/49/1044315749.db2.gz GFWBWUXGSHYFQH-MRXNPFEDSA-N 0 3 346.377 4.259 20 30 EIEDHN C[C@@H](NC[C@@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1Cl ZINC001168758351 1044366366 /nfs/dbraw/zinc/36/63/66/1044366366.db2.gz QDBGEBHMCVIUIU-BDJLRTHQSA-N 0 3 335.234 4.249 20 30 EIEDHN Oc1ccccc1/C=N/[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903615 1044410864 /nfs/dbraw/zinc/41/08/64/1044410864.db2.gz MMWHHAUEPPCLEB-TVSCDJBNSA-N 0 3 348.368 4.104 20 30 EIEDHN C[C@@H](C/N=C\c1c(O)ccc2ccccc21)N1CCc2ccccc2C1 ZINC000914558315 1044482539 /nfs/dbraw/zinc/48/25/39/1044482539.db2.gz SSLYWGFGDWWMQD-HZRSJKMUSA-N 0 3 344.458 4.411 20 30 EIEDHN CCN(Cc1cn(-c2ccncc2)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000543397589 1044513021 /nfs/dbraw/zinc/51/30/21/1044513021.db2.gz WBIBCKCJDCZYOU-KRWDZBQOSA-N 0 3 345.450 4.031 20 30 EIEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC000914576312 1044521267 /nfs/dbraw/zinc/52/12/67/1044521267.db2.gz DBHUBNQWQUVSOH-SFHVURJKSA-N 0 3 346.268 4.171 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000069629894 1044541584 /nfs/dbraw/zinc/54/15/84/1044541584.db2.gz CSHGKIXTGSRZMM-GOSISDBHSA-N 0 3 328.362 4.327 20 30 EIEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cnc2c(cnn2C(C)C)c1 ZINC000155014856 1044857134 /nfs/dbraw/zinc/85/71/34/1044857134.db2.gz RITZUYUUVNHDAE-UHFFFAOYSA-N 0 3 347.466 4.294 20 30 EIEDHN C[C@H]1SCCN(Cc2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 ZINC000735673801 1044858187 /nfs/dbraw/zinc/85/81/87/1044858187.db2.gz HBPOIQSYBYINES-UZLBHIALSA-N 0 3 338.476 4.268 20 30 EIEDHN CC[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)N(CC)CC ZINC000736003311 1044888009 /nfs/dbraw/zinc/88/80/09/1044888009.db2.gz XOISJDIBYPPEBF-SFTDATJTSA-N 0 3 349.478 4.401 20 30 EIEDHN CCOc1cccc(/C=N/C[C@H](c2ccsc2)N(CC)CC)c1O ZINC000915115118 1045113223 /nfs/dbraw/zinc/11/32/23/1045113223.db2.gz XQRIIJPUKZHKGX-XNHPLOEXSA-N 0 3 346.496 4.354 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC/C=C\c1ccccc1 ZINC000739141826 1045121340 /nfs/dbraw/zinc/12/13/40/1045121340.db2.gz DWCXTHQXSFQVPE-NGNXSQLZSA-N 0 3 329.403 4.243 20 30 EIEDHN C=CC[C@@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccncc1 ZINC000766021985 1045237541 /nfs/dbraw/zinc/23/75/41/1045237541.db2.gz VRBRHLNIIASJIG-OXJNMPFZSA-N 0 3 335.451 4.176 20 30 EIEDHN N#CCCCOc1cccc(CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000611265350 1045268166 /nfs/dbraw/zinc/26/81/66/1045268166.db2.gz AEGTYDOGAZIQRY-OAQYLSRUSA-N 0 3 336.435 4.412 20 30 EIEDHN COc1ccc2c(c1)OCC[C@H]2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393054 1045299655 /nfs/dbraw/zinc/29/96/55/1045299655.db2.gz FEMJPJVFFBQZHC-VQTJNVASSA-N 0 3 334.419 4.058 20 30 EIEDHN CCC[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000193629395 1045408242 /nfs/dbraw/zinc/40/82/42/1045408242.db2.gz GFDFJFJVTYOSHD-QGZVFWFLSA-N 0 3 341.842 4.281 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000767693118 1045616486 /nfs/dbraw/zinc/61/64/86/1045616486.db2.gz YJWWXXGUZOEQGT-SZHLLGMXSA-N 0 3 330.472 4.149 20 30 EIEDHN C[C@@H]1c2ccsc2CCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000768206809 1045744500 /nfs/dbraw/zinc/74/45/00/1045744500.db2.gz IHRBWCRWKQARTC-OAHLLOKOSA-N 0 3 325.481 4.217 20 30 EIEDHN N#CC(C(=O)CCc1cc(F)ccc1F)c1nccc2ccccc21 ZINC000792095517 1045863314 /nfs/dbraw/zinc/86/33/14/1045863314.db2.gz LJOSWLWJFGZKGD-KRWDZBQOSA-N 0 3 336.341 4.322 20 30 EIEDHN C#CCOc1ccccc1CN1CCC(OC2CCCCC2)CC1 ZINC000769219204 1045894951 /nfs/dbraw/zinc/89/49/51/1045894951.db2.gz ZYKPBPQLSSVOFI-UHFFFAOYSA-N 0 3 327.468 4.012 20 30 EIEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000249254540 1045895818 /nfs/dbraw/zinc/89/58/18/1045895818.db2.gz GHCIPVGRLWFLDB-KMFMINBZSA-N 0 3 335.373 4.375 20 30 EIEDHN Cc1cc(CN(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)ccc1C#N ZINC000496307152 1045899463 /nfs/dbraw/zinc/89/94/63/1045899463.db2.gz NCKFBRYXQOQQQA-INIZCTEOSA-N 0 3 349.434 4.016 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OCc2ccccc2F)CC1 ZINC000614963824 1045968587 /nfs/dbraw/zinc/96/85/87/1045968587.db2.gz LFIIYHPBRBJKHE-INIZCTEOSA-N 0 3 338.426 4.440 20 30 EIEDHN Cc1ccc(C2(NC3CCC(C#N)(c4ccccc4)CC3)COC2)cc1 ZINC001170362245 1046016249 /nfs/dbraw/zinc/01/62/49/1046016249.db2.gz RMTOPLJIPIHFME-UHFFFAOYSA-N 0 3 346.474 4.214 20 30 EIEDHN N#CC1(c2ccccc2)CCC(N2CCOc3ccccc3C2)CC1 ZINC001170386324 1046025214 /nfs/dbraw/zinc/02/52/14/1046025214.db2.gz DRGDGWMUUUSIOQ-UHFFFAOYSA-N 0 3 332.447 4.285 20 30 EIEDHN N#CC(C(=O)CCC(=O)c1cccs1)c1ccc2ccccc2n1 ZINC000916849235 1046373598 /nfs/dbraw/zinc/37/35/98/1046373598.db2.gz RMXAKXVORAQYMI-AWEZNQCLSA-N 0 3 334.400 4.136 20 30 EIEDHN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000916945977 1046487364 /nfs/dbraw/zinc/48/73/64/1046487364.db2.gz GYTVVOOMACJSDG-NSHDSACASA-N 0 3 349.164 4.076 20 30 EIEDHN C[C@H](c1ccccc1)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917052566 1046579840 /nfs/dbraw/zinc/57/98/40/1046579840.db2.gz WTSZZENLEQMQPG-ZBFHGGJFSA-N 0 3 349.459 4.166 20 30 EIEDHN CC[C@@H]1CC(NCC2(C#N)CCC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170458026 1046637470 /nfs/dbraw/zinc/63/74/70/1046637470.db2.gz FMDAQGKBJTZHGU-IAGOWNOFSA-N 0 3 349.519 4.227 20 30 EIEDHN Cc1ccc(C)c([C@H]2CCCN2Cc2cnc3ccc(C#N)cn23)c1 ZINC000536694922 1046691657 /nfs/dbraw/zinc/69/16/57/1046691657.db2.gz CWVOCFAQXFCKEB-HXUWFJFHSA-N 0 3 330.435 4.160 20 30 EIEDHN Cc1cc(Br)cc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000785617850 1046728547 /nfs/dbraw/zinc/72/85/47/1046728547.db2.gz WVYLLXJPJCLULE-GOSISDBHSA-N 0 3 341.252 4.406 20 30 EIEDHN C=CCOc1ccc(CNCc2cc(Cl)c(O)c(OCC)c2)cc1 ZINC000459547366 1046769234 /nfs/dbraw/zinc/76/92/34/1046769234.db2.gz VTVKIXRLHBVMEO-UHFFFAOYSA-N 0 3 347.842 4.299 20 30 EIEDHN Cc1cccc(NC(=O)C[C@@H](C)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000536840577 1046813686 /nfs/dbraw/zinc/81/36/86/1046813686.db2.gz UOMRFJSHUZYPTD-XLIONFOSSA-N 0 3 335.451 4.347 20 30 EIEDHN Cc1cc(C)cc(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000917406330 1046872528 /nfs/dbraw/zinc/87/25/28/1046872528.db2.gz WDNXKXWZCOGEDB-INIZCTEOSA-N 0 3 349.459 4.226 20 30 EIEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(N2CCCC2=O)cc1 ZINC000787025464 1046893393 /nfs/dbraw/zinc/89/33/93/1046893393.db2.gz GVQIFJBDJSXKRP-YCRPNKLZSA-N 0 3 345.446 4.023 20 30 EIEDHN COc1ccccc1[C@H](C/N=C\c1ccccc1O)N1CCCCC1 ZINC000917559293 1046970518 /nfs/dbraw/zinc/97/05/18/1046970518.db2.gz KEXRDBODXVLNPR-UQRWVXEISA-N 0 3 338.451 4.047 20 30 EIEDHN C[C@H]1c2ccccc2CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000746669409 1046980639 /nfs/dbraw/zinc/98/06/39/1046980639.db2.gz CONHDCIAHKNVQJ-XJKSGUPXSA-N 0 3 347.443 4.049 20 30 EIEDHN N#CCCCCCC(=O)OC[C@@H]1CCCCN1Cc1ccccc1 ZINC000805962976 1047072230 /nfs/dbraw/zinc/07/22/30/1047072230.db2.gz PIASEQOAKBUWJO-IBGZPJMESA-N 0 3 328.456 4.058 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806146311 1047170880 /nfs/dbraw/zinc/17/08/80/1047170880.db2.gz MWVQTFOVUOWNHN-YOEHRIQHSA-N 0 3 341.842 4.193 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCc3c2cc(F)cc3F)c1 ZINC000154695349 1047407705 /nfs/dbraw/zinc/40/77/05/1047407705.db2.gz SNYPAZNEXIWWRP-QRWLVFNGSA-N 0 3 342.389 4.423 20 30 EIEDHN N#CC(C(=O)CCCOc1ccccc1F)c1ccc2ccccc2n1 ZINC000918480636 1047460354 /nfs/dbraw/zinc/46/03/54/1047460354.db2.gz BJYSOGRRFKKFLL-INIZCTEOSA-N 0 3 348.377 4.409 20 30 EIEDHN N#Cc1ccc(CN2CCC(Nc3cc(F)cc(Cl)c3)CC2)cc1 ZINC000537538748 1047686557 /nfs/dbraw/zinc/68/65/57/1047686557.db2.gz WTQHXXSUSDBUPS-UHFFFAOYSA-N 0 3 343.833 4.427 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556532480 1047811279 /nfs/dbraw/zinc/81/12/79/1047811279.db2.gz SXDAMWGIFXRRRT-OAHLLOKOSA-N 0 3 341.405 4.110 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCSC(C)(C)C ZINC000155007821 1047860247 /nfs/dbraw/zinc/86/02/47/1047860247.db2.gz OAQNPCDNDMFDQH-CYBMUJFWSA-N 0 3 329.469 4.061 20 30 EIEDHN N#CC1(c2ccc(CN3CCC(Oc4ccccc4)CC3)cc2)CC1 ZINC000824575567 1047887248 /nfs/dbraw/zinc/88/72/48/1047887248.db2.gz JHUBXQKQYLOPIF-UHFFFAOYSA-N 0 3 332.447 4.285 20 30 EIEDHN COCc1ccccc1/C=C(/C)C=Nn1cnnc1-c1ccccc1 ZINC000814216883 1047891637 /nfs/dbraw/zinc/89/16/37/1047891637.db2.gz HIRNHKAMRLQCNW-KPDPHHEUSA-N 0 3 332.407 4.029 20 30 EIEDHN N#Cc1cccc(O[C@H]2CCCN(Cc3c[nH]c4cccc(F)c34)C2)c1 ZINC001136985357 1048028686 /nfs/dbraw/zinc/02/86/86/1048028686.db2.gz CUKMHOVAPNYXHI-SFHVURJKSA-N 0 3 349.409 4.222 20 30 EIEDHN C#CCCOc1ccc(CN[C@H]2CCCN(C)c3ccccc32)cc1 ZINC000825110269 1048037823 /nfs/dbraw/zinc/03/78/23/1048037823.db2.gz DQVWASZCYYINCO-NRFANRHFSA-N 0 3 334.463 4.150 20 30 EIEDHN C#Cc1cccc(CNCc2cc(Cl)c(OCC)c(OC)c2)c1 ZINC000825226514 1048053115 /nfs/dbraw/zinc/05/31/15/1048053115.db2.gz HTXWVBWLQINILC-UHFFFAOYSA-N 0 3 329.827 4.018 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814658932 1048103688 /nfs/dbraw/zinc/10/36/88/1048103688.db2.gz RRMVIHMSTSKLRC-INIZCTEOSA-N 0 3 349.434 4.064 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814658933 1048104845 /nfs/dbraw/zinc/10/48/45/1048104845.db2.gz RRMVIHMSTSKLRC-MRXNPFEDSA-N 0 3 349.434 4.064 20 30 EIEDHN C[C@H](c1ccc(F)c(Cl)c1)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369971 1048294847 /nfs/dbraw/zinc/29/48/47/1048294847.db2.gz PBANUFPJFKXMSN-XIKOKIGWSA-N 0 3 332.806 4.077 20 30 EIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815020979 1048298682 /nfs/dbraw/zinc/29/86/82/1048298682.db2.gz IWECDZQWLFVCNV-LJQANCHMSA-N 0 3 337.419 4.163 20 30 EIEDHN C#Cc1ccc(CNCc2cccc(NC(=O)C3CCCC3)c2)cc1 ZINC000809608182 1048415567 /nfs/dbraw/zinc/41/55/67/1048415567.db2.gz OEDXXNWIHOKFET-UHFFFAOYSA-N 0 3 332.447 4.086 20 30 EIEDHN C#Cc1ccc(CNCc2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000809610961 1048418555 /nfs/dbraw/zinc/41/85/55/1048418555.db2.gz LHOMXNUTJLMYRS-UHFFFAOYSA-N 0 3 346.474 4.477 20 30 EIEDHN N#Cc1ccc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])nc1 ZINC000815618286 1048543930 /nfs/dbraw/zinc/54/39/30/1048543930.db2.gz IGWPRASBTUEAMU-OAQYLSRUSA-N 0 3 343.430 4.123 20 30 EIEDHN COc1cc(CNCc2cc(C)c(OC(F)F)c(C)c2)ccc1C#N ZINC000810168815 1048652286 /nfs/dbraw/zinc/65/22/86/1048652286.db2.gz FEEZCBFJWOJWEL-UHFFFAOYSA-N 0 3 346.377 4.075 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H](c1ccccc1)c1ccccn1 ZINC001171186595 1048678527 /nfs/dbraw/zinc/67/85/27/1048678527.db2.gz XDECUUWZVAWKOM-VGOFRKELSA-N 0 3 327.431 4.263 20 30 EIEDHN C=CCc1cc(CN[C@H]2CCc3cc(F)ccc32)cc(OC)c1OC ZINC000772946078 1048884679 /nfs/dbraw/zinc/88/46/79/1048884679.db2.gz JWYBXTQHXLBQIF-IBGZPJMESA-N 0 3 341.426 4.349 20 30 EIEDHN Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)[C@H](N)CCCC#N ZINC000818110022 1049089318 /nfs/dbraw/zinc/08/93/18/1049089318.db2.gz RHCUGCHGHVTQRR-QGZVFWFLSA-N 0 3 341.842 4.275 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000772983179 1049202251 /nfs/dbraw/zinc/20/22/51/1049202251.db2.gz JURGMVPINLAHSZ-XLIONFOSSA-N 0 3 336.435 4.371 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000772983178 1049203866 /nfs/dbraw/zinc/20/38/66/1049203866.db2.gz JURGMVPINLAHSZ-PXNSSMCTSA-N 0 3 336.435 4.371 20 30 EIEDHN CCN(CC#Cc1ccc(Cl)cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812853230 1049613174 /nfs/dbraw/zinc/61/31/74/1049613174.db2.gz DANIBDFGYIEYEC-OXJNMPFZSA-N 0 3 327.855 4.136 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000237608537 1049659237 /nfs/dbraw/zinc/65/92/37/1049659237.db2.gz VZSVLVSAQHTUSC-ACJLOTCBSA-N 0 3 342.439 4.443 20 30 EIEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1cccc(OC(F)F)c1 ZINC000237705773 1049707519 /nfs/dbraw/zinc/70/75/19/1049707519.db2.gz OZWKWOQBFNHQNY-UONOGXRCSA-N 0 3 346.377 4.430 20 30 EIEDHN N#CC1(c2ccccc2)CCN([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170985328 1049751906 /nfs/dbraw/zinc/75/19/06/1049751906.db2.gz MMZOXMVCFXRPPT-IBGZPJMESA-N 0 3 334.438 4.240 20 30 EIEDHN CCCCN(CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171852752 1049813159 /nfs/dbraw/zinc/81/31/59/1049813159.db2.gz HABAZYOIHFXFEO-QGZVFWFLSA-N 0 3 349.519 4.324 20 30 EIEDHN CN(CCC#N)c1ccc(CNC(C)(C)c2ccccc2F)cc1 ZINC000813791609 1049817095 /nfs/dbraw/zinc/81/70/95/1049817095.db2.gz DLMXOBMAJWDWRL-UHFFFAOYSA-N 0 3 325.431 4.200 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC001172302004 1049873367 /nfs/dbraw/zinc/87/33/67/1049873367.db2.gz BVZUZKYJEAEQJE-JTSKRJEESA-N 0 3 327.431 4.263 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001172309997 1049874778 /nfs/dbraw/zinc/87/47/78/1049874778.db2.gz ZFOAQLDOJNJPBH-FDDCHVKYSA-N 0 3 341.458 4.396 20 30 EIEDHN CC[C@H](C)OCC[C@@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172362756 1049896605 /nfs/dbraw/zinc/89/66/05/1049896605.db2.gz XFNLBJZANDLYAD-SJORKVTESA-N 0 3 332.463 4.277 20 30 EIEDHN C[C@@H](CCCC#N)NCc1coc(-c2cccc(Br)c2)n1 ZINC001172492477 1049921864 /nfs/dbraw/zinc/92/18/64/1049921864.db2.gz SBUJTMQDEMVOOS-LBPRGKRZSA-N 0 3 348.244 4.276 20 30 EIEDHN C[C@@H](CCCC#N)N1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001172499361 1049923385 /nfs/dbraw/zinc/92/33/85/1049923385.db2.gz CZLMONIWGXTAQW-SFHVURJKSA-N 0 3 327.516 4.184 20 30 EIEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172560440 1049933763 /nfs/dbraw/zinc/93/37/63/1049933763.db2.gz IOVDNYZUAUNMDL-CLAROIROSA-N 0 3 341.495 4.149 20 30 EIEDHN Cc1ccccc1NC(=O)C[C@@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000090665231 1050197775 /nfs/dbraw/zinc/19/77/75/1050197775.db2.gz QQFVXLYPVHMCKR-YLJYHZDGSA-N 0 3 335.451 4.347 20 30 EIEDHN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCc1ccccc1C#N ZINC001173088160 1050280327 /nfs/dbraw/zinc/28/03/27/1050280327.db2.gz YGXMPQRZWGOWEX-ZDUSSCGKSA-N 0 3 334.341 4.178 20 30 EIEDHN CC(C)(C#N)CCCCN(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000618304442 1050335687 /nfs/dbraw/zinc/33/56/87/1050335687.db2.gz AJYHDKCLDQHIHK-MRXNPFEDSA-N 0 3 342.405 4.132 20 30 EIEDHN C=CCOC1CCC(N(Cc2cc(C)no2)Cc2ccccc2)CC1 ZINC001173326804 1050417152 /nfs/dbraw/zinc/41/71/52/1050417152.db2.gz ROTDPTPOBWXJBO-UHFFFAOYSA-N 0 3 340.467 4.499 20 30 EIEDHN COc1cccc(-c2nc(CNC3CCC(CC#N)CC3)cs2)c1 ZINC001173331682 1050422573 /nfs/dbraw/zinc/42/25/73/1050422573.db2.gz FLHKNFXZZBOOOL-UHFFFAOYSA-N 0 3 341.480 4.381 20 30 EIEDHN CC1(C#N)CCC(NCC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001173588438 1050494853 /nfs/dbraw/zinc/49/48/53/1050494853.db2.gz HUBRRAWNZBVSEY-UHFFFAOYSA-N 0 3 325.239 4.238 20 30 EIEDHN CCCOc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000618741207 1050501636 /nfs/dbraw/zinc/50/16/36/1050501636.db2.gz DLEUNEGYESOPQL-IBGZPJMESA-N 0 3 336.435 4.133 20 30 EIEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(OC(F)F)cc1 ZINC000618802268 1050520155 /nfs/dbraw/zinc/52/01/55/1050520155.db2.gz HRAAKQSLBXTAJM-KZULUSFZSA-N 0 3 328.362 4.498 20 30 EIEDHN CC[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000618804074 1050533892 /nfs/dbraw/zinc/53/38/92/1050533892.db2.gz JZDMRGHGZHUEPR-OALUTQOASA-N 0 3 334.419 4.058 20 30 EIEDHN COc1ccc2c(c1)[C@@H](N[C@H]1CCc3cc(C#N)ccc31)CCS2 ZINC000618807374 1050536969 /nfs/dbraw/zinc/53/69/69/1050536969.db2.gz YPILLCSZWDQCER-OALUTQOASA-N 0 3 336.460 4.381 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC[C@H](C)SC)cc1 ZINC000773770661 1050555184 /nfs/dbraw/zinc/55/51/84/1050555184.db2.gz OVYHBECWOSVOJO-ZQIUZPCESA-N 0 3 346.496 4.379 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCC[C@]1(C)C[C@@]1(F)Cl ZINC001179095913 1050633300 /nfs/dbraw/zinc/63/33/00/1050633300.db2.gz QDOWQEPBSXNSQA-CVEARBPZSA-N 0 3 330.230 4.146 20 30 EIEDHN C#CC1(NCc2cccc(OCc3ccccc3C#N)c2)CCCC1 ZINC001179437211 1050691647 /nfs/dbraw/zinc/69/16/47/1050691647.db2.gz CMLJFGFGECPSSM-UHFFFAOYSA-N 0 3 330.431 4.173 20 30 EIEDHN COc1cccc2c1OCC[C@@H]2N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508364 1050794160 /nfs/dbraw/zinc/79/41/60/1050794160.db2.gz JKQKXLUMLUOUDL-UXHICEINSA-N 0 3 348.446 4.448 20 30 EIEDHN COc1ccc2c(c1)[C@H](NCc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619754748 1050883148 /nfs/dbraw/zinc/88/31/48/1050883148.db2.gz JQKBVJRVJZNFOD-LJQANCHMSA-N 0 3 326.827 4.387 20 30 EIEDHN Cc1nc2ccc(CNCc3ccc(C#N)c(Cl)c3)cc2s1 ZINC000619748918 1050895887 /nfs/dbraw/zinc/89/58/87/1050895887.db2.gz SLBLEIGXYDIMRS-UHFFFAOYSA-N 0 3 327.840 4.420 20 30 EIEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2cc(C)cc(C)c2)c(C#N)c1C ZINC000182935366 1050908707 /nfs/dbraw/zinc/90/87/07/1050908707.db2.gz MLXQQSONUQNXQB-CABCVRRESA-N 0 3 339.439 4.063 20 30 EIEDHN N#CCc1cccc2c1CCN(CCn1ccc3cc(Cl)ccc31)C2 ZINC001175062560 1051314755 /nfs/dbraw/zinc/31/47/55/1051314755.db2.gz QZTZNNGMROVTMS-UHFFFAOYSA-N 0 3 349.865 4.419 20 30 EIEDHN CCN(CC#Cc1ccc(Cl)cc1)[C@@H](COC)Cc1ccccc1 ZINC001191454128 1051457528 /nfs/dbraw/zinc/45/75/28/1051457528.db2.gz MLSFQTGNYXFOFZ-OAQYLSRUSA-N 0 3 341.882 4.271 20 30 EIEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000774382154 1051569434 /nfs/dbraw/zinc/56/94/34/1051569434.db2.gz SDULGOHWICFWEA-GYSYKLTISA-N 0 3 325.239 4.489 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001192444583 1051733641 /nfs/dbraw/zinc/73/36/41/1051733641.db2.gz XKKXIQICXGWFCC-QGZVFWFLSA-N 0 3 340.854 4.482 20 30 EIEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@H](c2ccc(O)cc2)C1 ZINC001183155947 1051805600 /nfs/dbraw/zinc/80/56/00/1051805600.db2.gz JVACPVYKLSKYGB-MRXNPFEDSA-N 0 3 341.838 4.047 20 30 EIEDHN N#CCC[C@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000775553205 1051830026 /nfs/dbraw/zinc/83/00/26/1051830026.db2.gz MGRCWLPJKCFNQA-ZWKOTPCHSA-N 0 3 348.368 4.373 20 30 EIEDHN Cc1c2ccccc2sc1[C@@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC001193142237 1051878896 /nfs/dbraw/zinc/87/88/96/1051878896.db2.gz TXEIUIQXBGDTRK-CQSZACIVSA-N 0 3 349.459 4.371 20 30 EIEDHN CC[C@H]1CN([C@H](C)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001193210570 1051887250 /nfs/dbraw/zinc/88/72/50/1051887250.db2.gz OIECMCVOJNRYAL-GCJKJVERSA-N 0 3 333.479 4.216 20 30 EIEDHN C#CCCOc1ccc(CN2CCC(c3ncc(C)s3)CC2)cc1 ZINC000763673069 1051901839 /nfs/dbraw/zinc/90/18/39/1051901839.db2.gz GOPKGPPXYCOABA-UHFFFAOYSA-N 0 3 340.492 4.233 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cc2ccccc2s1)C(=O)Nc1ccccc1C#N ZINC000184352439 1051916577 /nfs/dbraw/zinc/91/65/77/1051916577.db2.gz NGOXPLNJNITUBR-UONOGXRCSA-N 0 3 349.459 4.451 20 30 EIEDHN O=C1C=COC2(CCN(Cc3cccc(C4CCCC4)c3)CC2)C1 ZINC001184056910 1051946082 /nfs/dbraw/zinc/94/60/82/1051946082.db2.gz SABFHVLCSSNXSR-UHFFFAOYSA-N 0 3 325.452 4.182 20 30 EIEDHN CCCCCCCOC(=O)Nc1ccc(OC2CCN(C)CC2)cn1 ZINC001193993483 1052056350 /nfs/dbraw/zinc/05/63/50/1052056350.db2.gz DQFRODXDJNNDOP-UHFFFAOYSA-N 0 3 349.475 4.074 20 30 EIEDHN CCN(CC)[C@@H](CNc1ncc(Cl)c(C)c1C#N)c1ccsc1 ZINC001184829733 1052113208 /nfs/dbraw/zinc/11/32/08/1052113208.db2.gz DEQFIFSJVLKUKY-INIZCTEOSA-N 0 3 348.903 4.472 20 30 EIEDHN C#C[C@@](C)(CC)NCc1cccc(OCc2ccc(F)cc2F)c1 ZINC001194504882 1052161960 /nfs/dbraw/zinc/16/19/60/1052161960.db2.gz GNMWLIIOHVESTC-FQEVSTJZSA-N 0 3 329.390 4.435 20 30 EIEDHN CCN(CC)[C@H](CNCc1csc(C#N)c1)c1ccccc1Cl ZINC001177117508 1052227425 /nfs/dbraw/zinc/22/74/25/1052227425.db2.gz XGKDOUHUSGLREF-GOSISDBHSA-N 0 3 347.915 4.446 20 30 EIEDHN Cc1cc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)ccc1C#N ZINC000774908426 1052275332 /nfs/dbraw/zinc/27/53/32/1052275332.db2.gz HWJLMKZRZMZEHI-NRFANRHFSA-N 0 3 346.430 4.196 20 30 EIEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001299258874 1052805287 /nfs/dbraw/zinc/80/52/87/1052805287.db2.gz JVFOLPYKYWWRLK-FQEVSTJZSA-N 0 3 347.462 4.208 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc3ccc(C)cc3[nH]2)c1 ZINC000850137837 1053078095 /nfs/dbraw/zinc/07/80/95/1053078095.db2.gz XGHWFHRXUWXCTE-IBGZPJMESA-N 0 3 333.435 4.447 20 30 EIEDHN CCOc1ccc(CNCc2cccc(O[C@H](C#N)CC)c2)c(C)c1 ZINC000850137146 1053078362 /nfs/dbraw/zinc/07/83/62/1053078362.db2.gz KGYJLELHRBKWFV-IBGZPJMESA-N 0 3 338.451 4.365 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794670057 1053244968 /nfs/dbraw/zinc/24/49/68/1053244968.db2.gz YSTKWNPKYOGSHS-PKTZIBPZSA-N 0 3 342.442 4.431 20 30 EIEDHN C=CCC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccco1 ZINC000850568279 1053322001 /nfs/dbraw/zinc/32/20/01/1053322001.db2.gz UNWNQPDWOOFSRB-HXUWFJFHSA-N 0 3 340.467 4.038 20 30 EIEDHN C=CCC[C@@H](NC[C@H](O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000850581198 1053332341 /nfs/dbraw/zinc/33/23/41/1053332341.db2.gz VDROTVIMUGNQAI-CABCVRRESA-N 0 3 325.330 4.027 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCCc3cc(Br)ccc32)cc1 ZINC000794794517 1053387264 /nfs/dbraw/zinc/38/72/64/1053387264.db2.gz DUYYIWQDPBGHQG-GOSISDBHSA-N 0 3 341.252 4.488 20 30 EIEDHN CCC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000794834134 1053452211 /nfs/dbraw/zinc/45/22/11/1053452211.db2.gz XMNDVHLNNQEDEK-PNHOKKKMSA-N 0 3 326.415 4.250 20 30 EIEDHN C=CCCC1(CNC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CCCC1 ZINC000851641112 1053505694 /nfs/dbraw/zinc/50/56/94/1053505694.db2.gz GDJHNQYTNJZEHL-MRXNPFEDSA-N 0 3 349.906 4.076 20 30 EIEDHN CC1(C)C[C@@H](N(Cc2ccccc2)Cc2ccc(CC#N)cc2)CO1 ZINC001196083950 1053577286 /nfs/dbraw/zinc/57/72/86/1053577286.db2.gz XPTQPGAFYHQJFJ-OAQYLSRUSA-N 0 3 334.463 4.322 20 30 EIEDHN C[C@]1(C#N)CCN(CCCCCCCCCN2CC[C@](C)(C#N)C2)C1 ZINC000852687132 1053602339 /nfs/dbraw/zinc/60/23/39/1053602339.db2.gz PWBBOMWIRBZYRQ-NHCUHLMSSA-N 0 3 344.547 4.188 20 30 EIEDHN COC[C@H](C)N(Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC001196646620 1053716493 /nfs/dbraw/zinc/71/64/93/1053716493.db2.gz MUGAEUTZXRKTNC-BTYIYWSLSA-N 0 3 338.426 4.222 20 30 EIEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H](C)CC(C)C ZINC000765585944 1053747623 /nfs/dbraw/zinc/74/76/23/1053747623.db2.gz DTSCOAMQYFJZMF-PBHICJAKSA-N 0 3 328.456 4.141 20 30 EIEDHN CCC#C[C@@H](C)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1 ZINC000854096040 1053753536 /nfs/dbraw/zinc/75/35/36/1053753536.db2.gz JSGFTEVEBFHRTE-QGZVFWFLSA-N 0 3 349.478 4.134 20 30 EIEDHN CC(C)c1ccc([C@H](C)CC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000121836840 1053851274 /nfs/dbraw/zinc/85/12/74/1053851274.db2.gz ZDGXLMSBFDVTIA-BEFAXECRSA-N 0 3 340.467 4.071 20 30 EIEDHN CC(C)c1ccc([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccccn2)cc1 ZINC000121861520 1053853544 /nfs/dbraw/zinc/85/35/44/1053853544.db2.gz BDTMVSVHJUWESL-MAUKXSAKSA-N 0 3 349.434 4.046 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2sccc2C)ccc1OC ZINC000113347650 1053923435 /nfs/dbraw/zinc/92/34/35/1053923435.db2.gz WCPHXBKDVBWVQC-OAHLLOKOSA-N 0 3 330.453 4.036 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2cc(C)cc(C)c2)ccc1OC ZINC000113347503 1053924368 /nfs/dbraw/zinc/92/43/68/1053924368.db2.gz MUVZGJMDIOVHOP-LJQANCHMSA-N 0 3 338.451 4.283 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000113952591 1054027273 /nfs/dbraw/zinc/02/72/73/1054027273.db2.gz GBKMPUOECARZIJ-BBRMVZONSA-N 0 3 330.378 4.497 20 30 EIEDHN COc1cc(C#N)ccc1CN[C@@H]1CCc2cccc3cccc1c32 ZINC001197992046 1054052241 /nfs/dbraw/zinc/05/22/41/1054052241.db2.gz VUSMQGRQUGGRQD-HXUWFJFHSA-N 0 3 328.415 4.497 20 30 EIEDHN C[C@@H](CCc1ccc(F)cc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000870162798 1054066227 /nfs/dbraw/zinc/06/62/27/1054066227.db2.gz NHGUKNJAYWDAAX-XJKSGUPXSA-N 0 3 336.366 4.412 20 30 EIEDHN N#Cc1ccccc1O[C@@H]1CCCN(Cc2c[nH]c3c2cccc3F)C1 ZINC001137059092 1054440832 /nfs/dbraw/zinc/44/08/32/1054440832.db2.gz MECZYXGSNASAHQ-QGZVFWFLSA-N 0 3 349.409 4.222 20 30 EIEDHN C#CC[C@@H](CCOC)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000858334078 1054466732 /nfs/dbraw/zinc/46/67/32/1054466732.db2.gz RISBWBNAGDOWGO-AWEZNQCLSA-N 0 3 340.448 4.074 20 30 EIEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc(C#N)cc1 ZINC000552881379 1054482922 /nfs/dbraw/zinc/48/29/22/1054482922.db2.gz VAFXEWRBLKCDSP-ZIAGYGMSSA-N 0 3 333.435 4.200 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000124429540 1054501586 /nfs/dbraw/zinc/50/15/86/1054501586.db2.gz NNWBJPIGDRTBHS-CQSZACIVSA-N 0 3 326.827 4.410 20 30 EIEDHN CC1(NCc2cccc(OCc3cccc(C#N)c3)c2)CC(F)(F)C1 ZINC000873198040 1054506839 /nfs/dbraw/zinc/50/68/39/1054506839.db2.gz NPFPRTJRXKQWAM-UHFFFAOYSA-N 0 3 342.389 4.415 20 30 EIEDHN C=CCc1cc(CNCc2ccc(SC)cc2)cc(OC)c1OC ZINC000105478333 1054525641 /nfs/dbraw/zinc/52/56/41/1054525641.db2.gz OGCBKFIIYUKEIQ-UHFFFAOYSA-N 0 3 343.492 4.444 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860449894 1054813991 /nfs/dbraw/zinc/81/39/91/1054813991.db2.gz ILQYYENTOCFHOB-KZNAEPCWSA-N 0 3 343.430 4.333 20 30 EIEDHN C=CCOCc1ncn2c1CN(C[C@@H](C)CCC=C(C)C)CCC2 ZINC001201486026 1054815606 /nfs/dbraw/zinc/81/56/06/1054815606.db2.gz LQSDPXHSJMEWRF-SFHVURJKSA-N 0 3 331.504 4.174 20 30 EIEDHN CCCCCCCCN1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001201804530 1054912017 /nfs/dbraw/zinc/91/20/17/1054912017.db2.gz NYTHOBZMCATBPH-PWRODBHTSA-N 0 3 346.515 4.191 20 30 EIEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC000876630326 1054940164 /nfs/dbraw/zinc/94/01/64/1054940164.db2.gz XFIHGSLMSQHAHC-GXTWGEPZSA-N 0 3 326.893 4.294 20 30 EIEDHN CCCCCCCCCCN1CCN(CCc2ccccn2)CC1 ZINC001201875287 1054940514 /nfs/dbraw/zinc/94/05/14/1054940514.db2.gz UAXULKDVVNZFJO-UHFFFAOYSA-N 0 3 331.548 4.382 20 30 EIEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000876673335 1054944926 /nfs/dbraw/zinc/94/49/26/1054944926.db2.gz WBSGBZOBCOAORC-RISCZKNCSA-N 0 3 348.796 4.085 20 30 EIEDHN C#CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])c1ccccc1 ZINC000776253120 1055061221 /nfs/dbraw/zinc/06/12/21/1055061221.db2.gz SDAZXLIRKXEDDM-KRWDZBQOSA-N 0 3 344.252 4.317 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000877916283 1055153982 /nfs/dbraw/zinc/15/39/82/1055153982.db2.gz CTBFHJNJZTZGKG-QHCPKHFHSA-N 0 3 346.474 4.307 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccsc2)cc1 ZINC000131515261 1055243441 /nfs/dbraw/zinc/24/34/41/1055243441.db2.gz VHTDPRUNJNBNJT-BLLLJJGKSA-N 0 3 326.421 4.223 20 30 EIEDHN C=CCN(Cc1cc(Br)c(OC)c(OCC)c1)C1CC1 ZINC000542690548 1055830530 /nfs/dbraw/zinc/83/05/30/1055830530.db2.gz DTADJFYKQJYEEG-UHFFFAOYSA-N 0 3 340.261 4.007 20 30 EIEDHN C[C@H](c1ccccc1)N1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000301319098 1055919875 /nfs/dbraw/zinc/91/98/75/1055919875.db2.gz QMVMCEMWINDJAX-GFCCVEGCSA-N 0 3 346.887 4.306 20 30 EIEDHN N#Cc1ccc2nc(NC[C@@H](c3ccco3)N3CCCCC3)ccc2c1 ZINC000301826423 1055989400 /nfs/dbraw/zinc/98/94/00/1055989400.db2.gz OXXFHIZRXHGRRN-IBGZPJMESA-N 0 3 346.434 4.339 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000302085579 1056014398 /nfs/dbraw/zinc/01/43/98/1056014398.db2.gz DVUHPMWHLFOFBG-OXQOHEQNSA-N 0 3 347.462 4.226 20 30 EIEDHN CC(=O)c1ccc(C#N)c(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000302099610 1056017395 /nfs/dbraw/zinc/01/73/95/1056017395.db2.gz KTEIFSMHURERNL-IERDGZPVSA-N 0 3 347.462 4.083 20 30 EIEDHN CC(=O)c1ccc(C#N)c(NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000302123716 1056021146 /nfs/dbraw/zinc/02/11/46/1056021146.db2.gz VKHXNLDPHHWNIH-JOCHJYFZSA-N 0 3 347.462 4.318 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000302135764 1056023090 /nfs/dbraw/zinc/02/30/90/1056023090.db2.gz ZYYSKDHKJXYLRW-HRAATJIYSA-N 0 3 347.462 4.083 20 30 EIEDHN CC[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1cnn(C)c1 ZINC000091412087 1056103575 /nfs/dbraw/zinc/10/35/75/1056103575.db2.gz HUKXSPVKSJUUMG-NRFANRHFSA-N 0 3 330.435 4.200 20 30 EIEDHN C=CCSCCN[C@@H](C)c1ccc(OC)cc1Br ZINC000542826891 1056149219 /nfs/dbraw/zinc/14/92/19/1056149219.db2.gz BDHNLZQSJHQCAM-NSHDSACASA-N 0 3 330.291 4.028 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C#N ZINC000072707067 1056460758 /nfs/dbraw/zinc/46/07/58/1056460758.db2.gz BTUDMRHTBBLHBL-JKSUJKDBSA-N 0 3 347.462 4.115 20 30 EIEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC2CCCCC2)cc1 ZINC000131753202 1056642102 /nfs/dbraw/zinc/64/21/02/1056642102.db2.gz VGFGSROGAHLYEU-GOSISDBHSA-N 0 3 342.439 4.093 20 30 EIEDHN CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CCCCC1 ZINC000075645358 1056804908 /nfs/dbraw/zinc/80/49/08/1056804908.db2.gz PFDZZOFYKKRFKN-UHFFFAOYSA-N 0 3 338.455 4.401 20 30 EIEDHN CCO[C@@H]1C[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])C12CCC2 ZINC000741465634 1058222977 /nfs/dbraw/zinc/22/29/77/1058222977.db2.gz WOVATQJIPZISAL-JKMYOGEHSA-N 0 3 330.472 4.005 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2ccccc2C(F)(F)F)cc1C#N ZINC000742367500 1058576980 /nfs/dbraw/zinc/57/69/80/1058576980.db2.gz ADUALUWAWJTAGC-LBPRGKRZSA-N 0 3 334.341 4.436 20 30 EIEDHN C#CCCOc1ccc(CNCc2ccc(-c3cccnc3)cc2)cc1 ZINC000742710032 1058719283 /nfs/dbraw/zinc/71/92/83/1058719283.db2.gz AWDZLFFFMABEPI-UHFFFAOYSA-N 0 3 342.442 4.441 20 30 EIEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000743473025 1059020863 /nfs/dbraw/zinc/02/08/63/1059020863.db2.gz JIXINXQLTORYSO-OALUTQOASA-N 0 3 349.478 4.289 20 30 EIEDHN Cc1nc2ccc(Nc3ccc(C#N)cc3Br)cc2[nH]1 ZINC001213073353 1060687609 /nfs/dbraw/zinc/68/76/09/1060687609.db2.gz NUNFRMSAFJAFTO-UHFFFAOYSA-N 0 3 327.185 4.249 20 30 EIEDHN C=CCOc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1OC ZINC000103173427 1060775086 /nfs/dbraw/zinc/77/50/86/1060775086.db2.gz QOFBXPLAUXCJBY-UHFFFAOYSA-N 0 3 329.415 4.424 20 30 EIEDHN CCN(CC)Cc1cncc(N[C@@](C)(C#N)c2ccccc2Cl)c1 ZINC001169388606 1060804076 /nfs/dbraw/zinc/80/40/76/1060804076.db2.gz JMOGMEYZFZOPMN-IBGZPJMESA-N 0 3 342.874 4.428 20 30 EIEDHN CC[C@@H](CN(CC)Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC001169483872 1060828298 /nfs/dbraw/zinc/82/82/98/1060828298.db2.gz XVUVCCOLWVSMOA-KRWDZBQOSA-N 0 3 337.423 4.482 20 30 EIEDHN C#CCCCN[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000766727918 1060841614 /nfs/dbraw/zinc/84/16/14/1060841614.db2.gz JIOXTKYYEQCCNB-HXUWFJFHSA-N 0 3 341.838 4.204 20 30 EIEDHN N#CCOc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000729685278 1032166851 /nfs/dbraw/zinc/16/68/51/1032166851.db2.gz CPEXSVVVRHPWOS-UHFFFAOYSA-N 0 3 344.414 4.251 20 30 EIEDHN C=C(C)CCc1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000508621709 1032270170 /nfs/dbraw/zinc/27/01/70/1032270170.db2.gz VHTUVDTWGILLBW-MRXNPFEDSA-N 0 3 329.419 4.097 20 30 EIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429577261 1032787610 /nfs/dbraw/zinc/78/76/10/1032787610.db2.gz FDHWYZSGPBMAIK-BZUAXINKSA-N 0 3 345.512 4.140 20 30 EIEDHN C[C@H](N[C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccccc1C#N ZINC000043303452 1019335692 /nfs/dbraw/zinc/33/56/92/1019335692.db2.gz HYZFPCOFEAJVLT-HOTGVXAUSA-N 0 3 343.430 4.389 20 30 EIEDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000339659835 1019776978 /nfs/dbraw/zinc/77/69/78/1019776978.db2.gz CBOAWEJEYHRLBC-SFHVURJKSA-N 0 3 348.425 4.020 20 30 EIEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccc(Cl)cn1 ZINC000274899618 1019842344 /nfs/dbraw/zinc/84/23/44/1019842344.db2.gz KYIPRGTUVKIONX-CYBMUJFWSA-N 0 3 331.872 4.191 20 30 EIEDHN N#Cc1ccc(CCN(Cc2ccccc2)Cc2cccnc2)cc1 ZINC001208926188 1019850603 /nfs/dbraw/zinc/85/06/03/1019850603.db2.gz CWCCEPYYDRSCFT-UHFFFAOYSA-N 0 3 327.431 4.198 20 30 EIEDHN CCOC(C)(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001209074354 1019972389 /nfs/dbraw/zinc/97/23/89/1019972389.db2.gz ASYFMBPWJKZCSK-UHFFFAOYSA-N 0 3 347.462 4.247 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000237502127 1032867500 /nfs/dbraw/zinc/86/75/00/1032867500.db2.gz JIBKYYPMMYZWJN-SCLBCKFNSA-N 0 3 342.439 4.443 20 30 EIEDHN C=CCCCCCCN1CC[C@@H](n2cc(Br)cn2)C1 ZINC001209438404 1020340723 /nfs/dbraw/zinc/34/07/23/1020340723.db2.gz KWYZQGOOWQFWPU-OAHLLOKOSA-N 0 3 326.282 4.029 20 30 EIEDHN N#Cc1ccc(CNCCOc2ccccc2-c2ccccc2)s1 ZINC000176956584 1020939736 /nfs/dbraw/zinc/93/97/36/1020939736.db2.gz OBDYZFKOWONJPB-UHFFFAOYSA-N 0 3 334.444 4.455 20 30 EIEDHN C=CC[C@H](CC)N[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000500818886 1032962757 /nfs/dbraw/zinc/96/27/57/1032962757.db2.gz WYOKWRYXBQTYPR-PXNSSMCTSA-N 0 3 338.451 4.319 20 30 EIEDHN CCOc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000610344740 1021344018 /nfs/dbraw/zinc/34/40/18/1021344018.db2.gz GPSIECISVQEIDO-ZDUSSCGKSA-N 0 3 344.842 4.470 20 30 EIEDHN C[C@H](NCc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000610344634 1021345245 /nfs/dbraw/zinc/34/52/45/1021345245.db2.gz BMOKSNIKSGPEMD-NSHDSACASA-N 0 3 333.204 4.311 20 30 EIEDHN C[C@@H](CNc1ccc(Cl)cc1C#N)N1CCc2ccccc2C1 ZINC000511394124 1021494058 /nfs/dbraw/zinc/49/40/58/1021494058.db2.gz AXFXVJDXVNFPIT-AWEZNQCLSA-N 0 3 325.843 4.070 20 30 EIEDHN CC1CCN(c2ccc(CNCc3cc(C#N)cs3)cc2)CC1 ZINC000177698427 1021584514 /nfs/dbraw/zinc/58/45/14/1021584514.db2.gz RSWJGLKJJMRVLX-UHFFFAOYSA-N 0 3 325.481 4.146 20 30 EIEDHN CN(C)C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000581518573 1021859951 /nfs/dbraw/zinc/85/99/51/1021859951.db2.gz IWXUYVQSZZOAIB-WOJBJXKFSA-N 0 3 339.870 4.091 20 30 EIEDHN C=CCN(CC1CCCCC1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC001167387904 1021935286 /nfs/dbraw/zinc/93/52/86/1021935286.db2.gz YLXRUCHGVPTOQS-MRXNPFEDSA-N 0 3 348.918 4.413 20 30 EIEDHN CN1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@H]1c1ccccc1 ZINC000613430903 1022011696 /nfs/dbraw/zinc/01/16/96/1022011696.db2.gz HXOBHTQIGOWVSS-IEBWSBKVSA-N 0 3 334.467 4.108 20 30 EIEDHN CC[C@@H](N[C@H](Cc1nc(C)no1)c1ccccc1)c1ccc(C#N)cc1 ZINC000278802049 1022214925 /nfs/dbraw/zinc/21/49/25/1022214925.db2.gz RFGCOIQLMANBFV-WOJBJXKFSA-N 0 3 346.434 4.274 20 30 EIEDHN Cn1c2ccccc2nc1[C@@H]1CCCCN1CCc1ccc(C#N)cc1 ZINC001167733891 1022616146 /nfs/dbraw/zinc/61/61/46/1022616146.db2.gz FIEVYPYCWIHESQ-NRFANRHFSA-N 0 3 344.462 4.215 20 30 EIEDHN Cc1csc(C(C#N)=C([O-])c2cc(C)c(OC(F)F)c(C)c2)n1 ZINC000107874903 1022688034 /nfs/dbraw/zinc/68/80/34/1022688034.db2.gz UULIPNPXDRPPGD-GFCCVEGCSA-N 0 3 336.363 4.160 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cc(C)c(OC(F)F)c(C)c2)n1 ZINC000107874903 1022688050 /nfs/dbraw/zinc/68/80/50/1022688050.db2.gz UULIPNPXDRPPGD-GFCCVEGCSA-N 0 3 336.363 4.160 20 30 EIEDHN Cc1csc(C(C#N)=C([O-])c2cc(C)c(OC(F)F)c(C)c2)n1 ZINC000107874906 1022688914 /nfs/dbraw/zinc/68/89/14/1022688914.db2.gz UULIPNPXDRPPGD-LBPRGKRZSA-N 0 3 336.363 4.160 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cc(C)c(OC(F)F)c(C)c2)n1 ZINC000107874906 1022688927 /nfs/dbraw/zinc/68/89/27/1022688927.db2.gz UULIPNPXDRPPGD-LBPRGKRZSA-N 0 3 336.363 4.160 20 30 EIEDHN N#Cc1ccc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)s1 ZINC000180620776 1022753696 /nfs/dbraw/zinc/75/36/96/1022753696.db2.gz SRXYCCRLAWDOIW-PBHICJAKSA-N 0 3 330.453 4.081 20 30 EIEDHN CC[C@H](CC(F)F)CN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000659970919 1022790170 /nfs/dbraw/zinc/79/01/70/1022790170.db2.gz SDIQCTWRSGLMER-VGMNWLOBSA-N 0 3 327.259 4.340 20 30 EIEDHN CC[C@H](CC(F)F)CN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000659970917 1022790212 /nfs/dbraw/zinc/79/02/12/1022790212.db2.gz SDIQCTWRSGLMER-IWSPIJDZSA-N 0 3 327.259 4.340 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc(N3CCCC3)c2)n1 ZINC000659115231 1022845442 /nfs/dbraw/zinc/84/54/42/1022845442.db2.gz SWCHSCWSQJCYOU-MRXNPFEDSA-N 0 3 339.464 4.357 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(C(C)(C)C)s1 ZINC000121304326 1023091755 /nfs/dbraw/zinc/09/17/55/1023091755.db2.gz HEYSXMMUPPGCSY-GFCCVEGCSA-N 0 3 337.448 4.422 20 30 EIEDHN N#CCCn1cc(CN2CCC3(CCC3)CC2)c(-c2ccccc2)n1 ZINC000589188168 1023094657 /nfs/dbraw/zinc/09/46/57/1023094657.db2.gz DITGHWCJJPDOHT-UHFFFAOYSA-N 0 3 334.467 4.230 20 30 EIEDHN CN(C)Cc1ccc(-c2noc([C@H](C#N)CCc3ccccc3)n2)cc1 ZINC000417272548 1023233756 /nfs/dbraw/zinc/23/37/56/1023233756.db2.gz URPCRJQJUVJUGF-IBGZPJMESA-N 0 3 346.434 4.038 20 30 EIEDHN COc1ncc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1Cl ZINC000417374739 1023288387 /nfs/dbraw/zinc/28/83/87/1023288387.db2.gz YNQQURBDPLXFHN-XIKOKIGWSA-N 0 3 341.842 4.343 20 30 EIEDHN C#CCC1(NCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCC1 ZINC000933300017 1023339001 /nfs/dbraw/zinc/33/90/01/1023339001.db2.gz ORVOKYDJBGDPCN-UHFFFAOYSA-N 0 3 345.657 4.121 20 30 EIEDHN C=CCOc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000418138342 1023555765 /nfs/dbraw/zinc/55/57/65/1023555765.db2.gz CSIAAOCCORVBRF-FQEVSTJZSA-N 0 3 348.446 4.299 20 30 EIEDHN C=CCOc1cccc(CN[C@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000549269727 1023600640 /nfs/dbraw/zinc/60/06/40/1023600640.db2.gz OVYGQUCNZNZHBK-HXUWFJFHSA-N 0 3 344.886 4.297 20 30 EIEDHN C=CCOc1cccc(CN[C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000549269726 1023601670 /nfs/dbraw/zinc/60/16/70/1023601670.db2.gz OVYGQUCNZNZHBK-FQEVSTJZSA-N 0 3 344.886 4.297 20 30 EIEDHN C=C(Cl)CN1CCC2(C[C@@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000377596208 1023621754 /nfs/dbraw/zinc/62/17/54/1023621754.db2.gz WUOXLGKYWAOWIL-OAHLLOKOSA-N 0 3 347.821 4.198 20 30 EIEDHN Cn1ncc(CNCc2cccc(-c3ccc(C#N)s3)c2)c1C1CC1 ZINC000892988119 1023635044 /nfs/dbraw/zinc/63/50/44/1023635044.db2.gz DBCAAVXKCQEMCY-UHFFFAOYSA-N 0 3 348.475 4.187 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430913785 1024221652 /nfs/dbraw/zinc/22/16/52/1024221652.db2.gz YDAYJYLCWIPMEG-PGRDOPGGSA-N 0 3 334.463 4.343 20 30 EIEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000661117149 1024249979 /nfs/dbraw/zinc/24/99/79/1024249979.db2.gz PESBYPPDWZIAPS-UKRRQHHQSA-N 0 3 337.423 4.306 20 30 EIEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000661117088 1024250479 /nfs/dbraw/zinc/25/04/79/1024250479.db2.gz OAQAMXKEEIBIIX-SWLSCSKDSA-N 0 3 331.847 4.213 20 30 EIEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000510978305 1024873758 /nfs/dbraw/zinc/87/37/58/1024873758.db2.gz LHCDDABYEQUUSW-ZMZPIMSZSA-N 0 3 328.362 4.183 20 30 EIEDHN CC(C)Cc1ncc(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000341886429 1024885007 /nfs/dbraw/zinc/88/50/07/1024885007.db2.gz NOTQGJPUNKPWLA-GOSISDBHSA-N 0 3 325.481 4.380 20 30 EIEDHN C[C@@H](NC1CCN(CC#N)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000610812802 1025019635 /nfs/dbraw/zinc/01/96/35/1025019635.db2.gz MMWQREUFBALRLQ-SNVBAGLBSA-N 0 3 346.689 4.285 20 30 EIEDHN CCOc1cc(CN(C)CCC(C)(C)C#N)ccc1OC(F)F ZINC000157633047 1025890434 /nfs/dbraw/zinc/89/04/34/1025890434.db2.gz ZDHCJRVWQQQVJL-UHFFFAOYSA-N 0 3 326.387 4.058 20 30 EIEDHN CCCOc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000563329325 1026552782 /nfs/dbraw/zinc/55/27/82/1026552782.db2.gz ZGZWGYZGVOTVOK-IBGZPJMESA-N 0 3 336.435 4.133 20 30 EIEDHN CN(Cc1ccc(CC#N)cc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511125460 1026637707 /nfs/dbraw/zinc/63/77/07/1026637707.db2.gz NWLWDDDUSBQTRQ-UHFFFAOYSA-N 0 3 348.368 4.326 20 30 EIEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(SCC)cc1 ZINC000507509382 1026821148 /nfs/dbraw/zinc/82/11/48/1026821148.db2.gz KYQMHDUQCFCYID-HZPDHXFCSA-N 0 3 332.513 4.038 20 30 EIEDHN CC(C)(C)c1cc(Nc2cc(Br)cnc2C#N)ccn1 ZINC001213162989 1026908793 /nfs/dbraw/zinc/90/87/93/1026908793.db2.gz QXOCPEBTRSDHQI-UHFFFAOYSA-N 0 3 331.217 4.152 20 30 EIEDHN C=C(C)COc1cc(CN2CCC([C@H]3CCCO3)CC2)ccc1OC ZINC000188244934 1027209777 /nfs/dbraw/zinc/20/97/77/1027209777.db2.gz IUERHDAJFUWWEW-LJQANCHMSA-N 0 3 345.483 4.041 20 30 EIEDHN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)C12CCCN1CCC2 ZINC000328725245 1027790889 /nfs/dbraw/zinc/79/08/89/1027790889.db2.gz BHWGQLHTCVHTSR-UHFFFAOYSA-N 0 3 342.439 4.335 20 30 EIEDHN CN(CCOCC1CC1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444652326 1027921838 /nfs/dbraw/zinc/92/18/38/1027921838.db2.gz IZPCGBKSPBEYFB-UHFFFAOYSA-N 0 3 348.490 4.245 20 30 EIEDHN CC[C@@H]1CCCCCN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000523556600 1028210330 /nfs/dbraw/zinc/21/03/30/1028210330.db2.gz DBPIYCAGFNEBTR-LJQANCHMSA-N 0 3 341.499 4.205 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)cc1 ZINC000657741550 1028217933 /nfs/dbraw/zinc/21/79/33/1028217933.db2.gz HFWMSNCQXGOOFH-LEWJYISDSA-N 0 3 325.452 4.099 20 30 EIEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000330272830 1028246472 /nfs/dbraw/zinc/24/64/72/1028246472.db2.gz YFHYITSCTMRXQF-JBCWJZNQSA-N 0 3 343.254 4.127 20 30 EIEDHN COc1cc(CNCc2cccc(COC(C)(C)C)c2)ccc1C#N ZINC000281832306 1028884413 /nfs/dbraw/zinc/88/44/13/1028884413.db2.gz XVLRSSMWERWQEX-UHFFFAOYSA-N 0 3 338.451 4.172 20 30 EIEDHN CC[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000278347244 1028955701 /nfs/dbraw/zinc/95/57/01/1028955701.db2.gz YLKQXHMZEBCGEF-KKSFZXQISA-N 0 3 347.462 4.487 20 30 EIEDHN C[C@H]1SCCN(CCOc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000522837411 1028986655 /nfs/dbraw/zinc/98/66/55/1028986655.db2.gz YQJPLBBJSGMYIR-OXQOHEQNSA-N 0 3 338.476 4.116 20 30 EIEDHN C[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCCC[C@H]12 ZINC000524758844 1029209571 /nfs/dbraw/zinc/20/95/71/1029209571.db2.gz GYMTZRTWTYBBGX-ZTFGCOKTSA-N 0 3 336.439 4.009 20 30 EIEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1Br ZINC000035256364 1029426858 /nfs/dbraw/zinc/42/68/58/1029426858.db2.gz CUWRYJNUWZYJDZ-GFCCVEGCSA-N 0 3 345.240 4.180 20 30 EIEDHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N ZINC000450958356 1030133729 /nfs/dbraw/zinc/13/37/29/1030133729.db2.gz MYYGVAFEHCPPSO-QYZOEREBSA-N 0 3 332.875 4.117 20 30 EIEDHN CC[C@H](Nc1ccccc1N1CCN(CC)CC1)c1ccc(C#N)cc1 ZINC000447602901 1030224757 /nfs/dbraw/zinc/22/47/57/1030224757.db2.gz WDDWALFLIFAFLJ-FQEVSTJZSA-N 0 3 348.494 4.263 20 30 EIEDHN C=CCCCN[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000447795505 1030329006 /nfs/dbraw/zinc/32/90/06/1030329006.db2.gz ONJLUUQTIBDLLL-HXUWFJFHSA-N 0 3 338.451 4.321 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2s1 ZINC000526944619 1030339688 /nfs/dbraw/zinc/33/96/88/1030339688.db2.gz GOSJLLZUFKZPDM-GJZGRUSLSA-N 0 3 330.497 4.365 20 30 EIEDHN CCc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000527239750 1030573008 /nfs/dbraw/zinc/57/30/08/1030573008.db2.gz FWTHFFSTFFAQLA-UHFFFAOYSA-N 0 3 326.465 4.226 20 30 EIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc3c(c2)CCO3)cc1OC ZINC000897419823 1030613753 /nfs/dbraw/zinc/61/37/53/1030613753.db2.gz VCOMPRBCTVCBKR-OAHLLOKOSA-N 0 3 339.435 4.046 20 30 EIEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cc2ccccc2s1 ZINC000527484774 1030700175 /nfs/dbraw/zinc/70/01/75/1030700175.db2.gz ZRRHMXOONNEWGF-CABCVRRESA-N 0 3 328.481 4.141 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@@H]1CCc2ccccc21 ZINC000892419236 1030737296 /nfs/dbraw/zinc/73/72/96/1030737296.db2.gz AICIQTQVENITCW-FUHWJXTLSA-N 0 3 343.430 4.260 20 30 EIEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(OCc2cccnc2)cc1 ZINC000530879525 1030780948 /nfs/dbraw/zinc/78/09/48/1030780948.db2.gz XJBZDABXJYKSGA-OAHLLOKOSA-N 0 3 349.459 4.445 20 30 EIEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(C(F)(F)F)c1 ZINC000527634904 1030789489 /nfs/dbraw/zinc/78/94/89/1030789489.db2.gz KHUGOPKWAUIUKX-LBPRGKRZSA-N 0 3 334.341 4.436 20 30 EIEDHN N#Cc1cc(Cl)ccc1CNC1(Cc2ccccc2)CCOCC1 ZINC000451946321 1030804193 /nfs/dbraw/zinc/80/41/93/1030804193.db2.gz ZNSJGNIEEDLZIT-UHFFFAOYSA-N 0 3 340.854 4.093 20 30 EIEDHN COc1ccc(CNCc2ccc(C#N)cc2)cc1OC1CCCC1 ZINC000103172707 1030856975 /nfs/dbraw/zinc/85/69/75/1030856975.db2.gz DSTMCUMGCRTLOE-UHFFFAOYSA-N 0 3 336.435 4.178 20 30 EIEDHN CC1(C)Cc2cc(C(=O)C(C#N)c3nc(C4CC4)cs3)ccc2O1 ZINC000647380313 1030913285 /nfs/dbraw/zinc/91/32/85/1030913285.db2.gz BQEMRLQMMJVSTJ-AWEZNQCLSA-N 0 3 338.432 4.224 20 30 EIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCC[C@@H](C)C1 ZINC000531170465 1030937950 /nfs/dbraw/zinc/93/79/50/1030937950.db2.gz SENVCAWUQYVPMZ-SJORKVTESA-N 0 3 348.560 4.163 20 30 EIEDHN C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)NCC(C)(C)C#N ZINC000310043393 1030994478 /nfs/dbraw/zinc/99/44/78/1030994478.db2.gz GAKITVGDYHXVHE-HZPDHXFCSA-N 0 3 337.508 4.084 20 30 EIEDHN N#Cc1cccc(NC(=O)CN[C@@H](c2ccccc2)C2CCCCC2)c1 ZINC001168208240 1031277436 /nfs/dbraw/zinc/27/74/36/1031277436.db2.gz LMIVXIGKYMLWGB-QFIPXVFZSA-N 0 3 347.462 4.408 20 30 EIEDHN N#Cc1cccc(NC(=O)CN[C@H](c2ccccc2)C2CCCCC2)c1 ZINC001168208239 1031278729 /nfs/dbraw/zinc/27/87/29/1031278729.db2.gz LMIVXIGKYMLWGB-JOCHJYFZSA-N 0 3 347.462 4.408 20 30 EIEDHN N#Cc1ccc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CCOC2)s1 ZINC000364881870 1031429104 /nfs/dbraw/zinc/42/91/04/1031429104.db2.gz OHQBAUGXOZIBSO-CXAGYDPISA-N 0 3 332.856 4.141 20 30 EIEDHN N#Cc1ccc(CN[C@@H](C[C@@H]2CCCO2)c2ccc(F)cc2)cc1F ZINC000453359562 1031889460 /nfs/dbraw/zinc/88/94/60/1031889460.db2.gz ALZHAANGEMKLBY-ICSRJNTNSA-N 0 3 342.389 4.236 20 30 EIEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512613562 1033495127 /nfs/dbraw/zinc/49/51/27/1033495127.db2.gz SIXMWOHCAGRIFC-QUJCMNEKSA-N 0 3 330.378 4.263 20 30 EIEDHN C[C@@H](NC[C@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)cc1F ZINC000512642651 1033597602 /nfs/dbraw/zinc/59/76/02/1033597602.db2.gz RHHPJUJRBAXNGX-BFUOFWGJSA-N 0 3 345.849 4.304 20 30 EIEDHN C[C@H](N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(C#N)cc1F ZINC000512655675 1033629480 /nfs/dbraw/zinc/62/94/80/1033629480.db2.gz WFXSBXVLFMWKNB-XJKSGUPXSA-N 0 3 343.833 4.280 20 30 EIEDHN CC[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000512666764 1033665180 /nfs/dbraw/zinc/66/51/80/1033665180.db2.gz MBZCKAJBLFIYFC-XJKSGUPXSA-N 0 3 330.378 4.345 20 30 EIEDHN COC1(C(F)(F)F)CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000419358479 1034463382 /nfs/dbraw/zinc/46/33/82/1034463382.db2.gz VDMUJCVUDVGQMO-UHFFFAOYSA-N 0 3 340.389 4.031 20 30 EIEDHN C[C@@H](NCc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(C#N)cc1 ZINC000500975573 1034645577 /nfs/dbraw/zinc/64/55/77/1034645577.db2.gz GSVAALBWVYKOBY-OAHLLOKOSA-N 0 3 336.435 4.364 20 30 EIEDHN COc1ccccc1O[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000513405816 1034918600 /nfs/dbraw/zinc/91/86/00/1034918600.db2.gz JFQSCFDDNCKWGO-VQIMIIECSA-N 0 3 336.435 4.171 20 30 EIEDHN C=CCC[C@H](N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccco1 ZINC000513662685 1035097328 /nfs/dbraw/zinc/09/73/28/1035097328.db2.gz YRIDDMWZWTVOPR-ZBFHGGJFSA-N 0 3 331.847 4.204 20 30 EIEDHN CC(C)C[C@@H]1CCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000501106258 1035378511 /nfs/dbraw/zinc/37/85/11/1035378511.db2.gz OCCOSOBQVBUBTO-KRWDZBQOSA-N 0 3 347.890 4.097 20 30 EIEDHN COc1cc(C#N)ccc1CN1CC[C@H](CSc2ccccc2)C1 ZINC000501211171 1035399830 /nfs/dbraw/zinc/39/98/30/1035399830.db2.gz QMTDVWWKTGMKRV-KRWDZBQOSA-N 0 3 338.476 4.181 20 30 EIEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000593011871 1035678452 /nfs/dbraw/zinc/67/84/52/1035678452.db2.gz MVMBKQYUHLDXNK-HNNXBMFYSA-N 0 3 341.798 4.109 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)CC2CCCCC2)c1C ZINC000501876456 1035718504 /nfs/dbraw/zinc/71/85/04/1035718504.db2.gz MUUWFYXLTVJMEO-UHFFFAOYSA-N 0 3 341.499 4.062 20 30 EIEDHN N#CC[C@H]1CCCN(CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595613295 1035753331 /nfs/dbraw/zinc/75/33/31/1035753331.db2.gz ACFHCQPPTSGEFS-CQSZACIVSA-N 0 3 326.362 4.100 20 30 EIEDHN CSc1ccccc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595765276 1035779347 /nfs/dbraw/zinc/77/93/47/1035779347.db2.gz QBUNMHWWPULCMV-UHFFFAOYSA-N 0 3 338.476 4.076 20 30 EIEDHN N#Cc1ccc(CNCc2cccc(COc3ccccc3)c2)cc1 ZINC000055172210 1035897655 /nfs/dbraw/zinc/89/76/55/1035897655.db2.gz KWHHCMPRAKFSRR-UHFFFAOYSA-N 0 3 328.415 4.427 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2cc(C)sc2C)ccc1OC ZINC000760676261 1036195400 /nfs/dbraw/zinc/19/54/00/1036195400.db2.gz WNPXIRZQNGFUFQ-QGZVFWFLSA-N 0 3 344.480 4.344 20 30 EIEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000156813868 1036409025 /nfs/dbraw/zinc/40/90/25/1036409025.db2.gz GZKUZSDAVAKRAG-DZGCQCFKSA-N 0 3 346.477 4.137 20 30 EIEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000602572840 1036499774 /nfs/dbraw/zinc/49/97/74/1036499774.db2.gz TXKPFEJAWRNQTO-WMLDXEAASA-N 0 3 346.446 4.116 20 30 EIEDHN C[C@@H](CCC#N)CN[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000602586320 1036515478 /nfs/dbraw/zinc/51/54/78/1036515478.db2.gz PUGIWCRTKUDNKE-JXFKEZNVSA-N 0 3 332.451 4.192 20 30 EIEDHN Cc1cc([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)oc1C ZINC000502706249 1036530555 /nfs/dbraw/zinc/53/05/55/1036530555.db2.gz FRPPTYFZIHTPMC-WMLDXEAASA-N 0 3 341.430 4.227 20 30 EIEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc2[nH]c(=O)oc2c1 ZINC000602991744 1036693508 /nfs/dbraw/zinc/69/35/08/1036693508.db2.gz ORUJEGUBNAICQY-ZDUSSCGKSA-N 0 3 335.407 4.185 20 30 EIEDHN N#Cc1c(F)cccc1CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000589990974 1036926108 /nfs/dbraw/zinc/92/61/08/1036926108.db2.gz XJMQYNAFWNGACA-NRFANRHFSA-N 0 3 337.442 4.014 20 30 EIEDHN N#CC1(C[C@@H](O)CN[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000599420359 1036997982 /nfs/dbraw/zinc/99/79/82/1036997982.db2.gz FIEVLLFVABXGBV-WBMJQRKESA-N 0 3 339.266 4.089 20 30 EIEDHN C[C@@H](N[C@H](C)c1cccc2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000057555300 1037108606 /nfs/dbraw/zinc/10/86/06/1037108606.db2.gz ZNXIHBOKFWTELS-IAGOWNOFSA-N 0 3 349.478 4.222 20 30 EIEDHN CC(C)(C#N)c1ccccc1CN1CCc2c(CC#N)cccc2C1 ZINC000599677564 1037115532 /nfs/dbraw/zinc/11/55/32/1037115532.db2.gz MJSIZIIFDLKXCL-UHFFFAOYSA-N 0 3 329.447 4.112 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000590964574 1037216340 /nfs/dbraw/zinc/21/63/40/1037216340.db2.gz PAVWHQPBHUZMTM-OAQYLSRUSA-N 0 3 334.463 4.250 20 30 EIEDHN CN(Cc1cc(C#N)ccc1F)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521484 1037400539 /nfs/dbraw/zinc/40/05/39/1037400539.db2.gz MKFJUBSZVOMJQN-NQIIRXRSSA-N 0 3 338.426 4.297 20 30 EIEDHN N#CCOc1ccc(CNCc2cnc(-c3ccccc3)s2)cc1 ZINC000171768996 1037660061 /nfs/dbraw/zinc/66/00/61/1037660061.db2.gz TXKRJZJEKMKZCT-UHFFFAOYSA-N 0 3 335.432 4.002 20 30 EIEDHN N#Cc1cnccc1CN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000592113691 1037735384 /nfs/dbraw/zinc/73/53/84/1037735384.db2.gz HCJKEKTVIPZUGH-FUHWJXTLSA-N 0 3 345.368 4.398 20 30 EIEDHN CC(C)(C)OC(=O)C1(C)CCN(CCC2(C#N)CCCCC2)CC1 ZINC000592158445 1037737134 /nfs/dbraw/zinc/73/71/34/1037737134.db2.gz CCAUNSIKWRAORL-UHFFFAOYSA-N 0 3 334.504 4.294 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000592291853 1037769697 /nfs/dbraw/zinc/76/96/97/1037769697.db2.gz XOXDKUNYKGCVFH-UHFFFAOYSA-N 0 3 342.270 4.155 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000489085933 1037862760 /nfs/dbraw/zinc/86/27/60/1037862760.db2.gz ANZHPVOAYAWWOX-HNNXBMFYSA-N 0 3 328.419 4.285 20 30 EIEDHN CC1(C)C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)c2cc(N)ccc2O1 ZINC000423421199 1038209221 /nfs/dbraw/zinc/20/92/21/1038209221.db2.gz ATNQHWUQVQYZQA-RTBURBONSA-N 0 3 333.435 4.020 20 30 EIEDHN CC(C)n1ncc2cc(CNC3(c4ccc(C#N)cc4)CCC3)cnc21 ZINC000594031538 1038229121 /nfs/dbraw/zinc/22/91/21/1038229121.db2.gz HXRCANBGDQFYHX-UHFFFAOYSA-N 0 3 345.450 4.053 20 30 EIEDHN COc1ccc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000172688622 1038267309 /nfs/dbraw/zinc/26/73/09/1038267309.db2.gz MKEKKSSWVDAZBU-GFCCVEGCSA-N 0 3 334.341 4.436 20 30 EIEDHN C=CCOc1ccccc1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000504236761 1038295789 /nfs/dbraw/zinc/29/57/89/1038295789.db2.gz VONHCJGAVLOLEI-UHFFFAOYSA-N 0 3 335.407 4.030 20 30 EIEDHN CCCN(C(=O)[C@H](N)CCCCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000594430719 1038332319 /nfs/dbraw/zinc/33/23/19/1038332319.db2.gz BMKBLGMCQWPMRN-DOTOQJQBSA-N 0 3 341.455 4.144 20 30 EIEDHN CCCN(C(=O)[C@@H](N)CCCCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000594430722 1038332895 /nfs/dbraw/zinc/33/28/95/1038332895.db2.gz BMKBLGMCQWPMRN-WBVHZDCISA-N 0 3 341.455 4.144 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000594439855 1038333343 /nfs/dbraw/zinc/33/33/43/1038333343.db2.gz RPILQKXHABVCPG-NRFANRHFSA-N 0 3 349.478 4.212 20 30 EIEDHN CC[C@H](C)Sc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(C)c1 ZINC000594431960 1038333548 /nfs/dbraw/zinc/33/35/48/1038333548.db2.gz TWHVLLYSBILUNY-HOCLYGCPSA-N 0 3 333.501 4.235 20 30 EIEDHN CC(C)(C#N)c1ccc(CNCc2ccnc(OC3CCCC3)c2)cc1 ZINC000594495785 1038344772 /nfs/dbraw/zinc/34/47/72/1038344772.db2.gz WDEKTOXUKZHBFB-UHFFFAOYSA-N 0 3 349.478 4.494 20 30 EIEDHN CC[C@@H](NCCSCc1ccccc1C#N)c1ccc(F)cn1 ZINC000490131024 1038353549 /nfs/dbraw/zinc/35/35/49/1038353549.db2.gz RURUAIUTSCTJIB-QGZVFWFLSA-N 0 3 329.444 4.066 20 30 EIEDHN COc1cc(CNCc2ccc(C(C)(C)C#N)cc2)c2ccccc2n1 ZINC000594514191 1038359206 /nfs/dbraw/zinc/35/92/06/1038359206.db2.gz RULLQPJAUHPKEX-UHFFFAOYSA-N 0 3 345.446 4.334 20 30 EIEDHN Cc1cc(N(CCC#N)C(=O)CN(C)C2(C)CCCC2)ccc1Cl ZINC000490203616 1038374346 /nfs/dbraw/zinc/37/43/46/1038374346.db2.gz PAIUUMBOLOXVTA-UHFFFAOYSA-N 0 3 347.890 4.160 20 30 EIEDHN N#CC1(c2ccc(CN[C@@H](CCO)c3ccc(Cl)cc3)cc2)CC1 ZINC000594950080 1038523793 /nfs/dbraw/zinc/52/37/93/1038523793.db2.gz AAYFNGFEUUBELF-IBGZPJMESA-N 0 3 340.854 4.108 20 30 EIEDHN COc1cc(CNC(C)(C)c2cccc(C#N)c2)ccc1OC(C)C ZINC000594968288 1038555232 /nfs/dbraw/zinc/55/52/32/1038555232.db2.gz RCGMCJWWOKYFRK-UHFFFAOYSA-N 0 3 338.451 4.379 20 30 EIEDHN Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424108366 1038578825 /nfs/dbraw/zinc/57/88/25/1038578825.db2.gz WPGSXUOBNOISFR-KRWDZBQOSA-N 0 3 339.464 4.106 20 30 EIEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000424301267 1038778224 /nfs/dbraw/zinc/77/82/24/1038778224.db2.gz ZOPXSOYRNNFNPL-DJPFJPOOSA-N 0 3 334.419 4.098 20 30 EIEDHN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000173970426 1038802781 /nfs/dbraw/zinc/80/27/81/1038802781.db2.gz CDFYQZVZOMTKFJ-QGPMSJSTSA-N 0 3 334.419 4.313 20 30 EIEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000424328034 1038807550 /nfs/dbraw/zinc/80/75/50/1038807550.db2.gz NSTXFEUSRQUORO-GARJFASQSA-N 0 3 346.324 4.232 20 30 EIEDHN COc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)cc1C#N ZINC000174243661 1038881933 /nfs/dbraw/zinc/88/19/33/1038881933.db2.gz VSNWAKGQGKLCCS-LJQANCHMSA-N 0 3 326.827 4.461 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000063915076 1038890621 /nfs/dbraw/zinc/89/06/21/1038890621.db2.gz LYPCXRLCVVJTFZ-UHFFFAOYSA-N 0 3 340.492 4.172 20 30 EIEDHN C=CCCc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000505052891 1038953461 /nfs/dbraw/zinc/95/34/61/1038953461.db2.gz ZNZZWYXTEQAUIO-HXUWFJFHSA-N 0 3 349.478 4.201 20 30 EIEDHN C#CCCCNCc1csc(-c2cccc(Br)c2)n1 ZINC000174611889 1039009665 /nfs/dbraw/zinc/00/96/65/1039009665.db2.gz BSQAAOSWWCYACA-UHFFFAOYSA-N 0 3 335.270 4.076 20 30 EIEDHN C=CC1CCN(Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000537628001 1039096314 /nfs/dbraw/zinc/09/63/14/1039096314.db2.gz XUFFFDMHIJVXMH-UHFFFAOYSA-N 0 3 338.451 4.067 20 30 EIEDHN C=CCOc1cccc(CNCc2ccc(OC(F)F)c(F)c2)c1 ZINC000555619454 1039463665 /nfs/dbraw/zinc/46/36/65/1039463665.db2.gz PDZUOWRBFRQWBC-UHFFFAOYSA-N 0 3 337.341 4.282 20 30 EIEDHN C=CCOc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000080347241 1039468297 /nfs/dbraw/zinc/46/82/97/1039468297.db2.gz ZDENKFXCSNTFBG-UHFFFAOYSA-N 0 3 326.396 4.185 20 30 EIEDHN C=C(C)[C@H](NC[C@H](O)CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000481593828 1039607271 /nfs/dbraw/zinc/60/72/71/1039607271.db2.gz FUMOCBHQXDAABJ-XLIONFOSSA-N 0 3 331.406 4.165 20 30 EIEDHN C=C(C)COc1cc(CN2CC[C@H](CC(F)(F)F)C2)ccc1OC ZINC000556045227 1039886251 /nfs/dbraw/zinc/88/62/51/1039886251.db2.gz JENXYJPIMGCNFF-OAHLLOKOSA-N 0 3 343.389 4.424 20 30 EIEDHN C[C@@H](c1ccncc1)N1CCC(Nc2cc(Cl)ccc2C#N)CC1 ZINC000425233728 1039900210 /nfs/dbraw/zinc/90/02/10/1039900210.db2.gz GYANYMLAWVNULY-AWEZNQCLSA-N 0 3 340.858 4.244 20 30 EIEDHN C[C@H](c1ccncc1)N1CCC(Nc2cccc(Cl)c2C#N)CC1 ZINC000425235858 1039908742 /nfs/dbraw/zinc/90/87/42/1039908742.db2.gz JCVFQPWCRZRFGX-CQSZACIVSA-N 0 3 340.858 4.244 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2c(CC)cc(C)cc2CC)CC1 ZINC000435182836 1040158619 /nfs/dbraw/zinc/15/86/19/1040158619.db2.gz TVADOFWKEQNTSK-UHFFFAOYSA-N 0 3 343.515 4.282 20 30 EIEDHN C=C(C)COc1cc(CN(C)Cc2cccc(OC)c2)ccc1OC ZINC000505636402 1040202800 /nfs/dbraw/zinc/20/28/00/1040202800.db2.gz QKETUOCBSZXXSK-UHFFFAOYSA-N 0 3 341.451 4.291 20 30 EIEDHN CC(C)[C@H](c1ccc(F)cc1)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000435269953 1040237813 /nfs/dbraw/zinc/23/78/13/1040237813.db2.gz JOJOQJACOFKBGS-HXUWFJFHSA-N 0 3 336.414 4.174 20 30 EIEDHN C=CCOc1ccc(CN(Cc2cnc(C)n2C)C(C)(C)C)cc1 ZINC000667485143 1040329760 /nfs/dbraw/zinc/32/97/60/1040329760.db2.gz IGLTYAPQDXXXRE-UHFFFAOYSA-N 0 3 327.472 4.094 20 30 EIEDHN C=CCc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc(OC)c1O ZINC000425364073 1040335406 /nfs/dbraw/zinc/33/54/06/1040335406.db2.gz DUDAXSUNJYEDRQ-HNNXBMFYSA-N 0 3 336.435 4.194 20 30 EIEDHN Cc1nc(C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc1C ZINC000160141433 1040370629 /nfs/dbraw/zinc/37/06/29/1040370629.db2.gz FCEISBKCFBAFKI-GFCCVEGCSA-N 0 3 340.235 4.313 20 30 EIEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)oc1C ZINC000128737019 1040518518 /nfs/dbraw/zinc/51/85/18/1040518518.db2.gz LSJUKAKSPJQICA-INIZCTEOSA-N 0 3 332.359 4.011 20 30 EIEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000127963070 1040698336 /nfs/dbraw/zinc/69/83/36/1040698336.db2.gz SUXHHPGUMFMGEY-HNNXBMFYSA-N 0 3 348.333 4.047 20 30 EIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(N(C)C(C)C)nc1 ZINC000483142905 1040733520 /nfs/dbraw/zinc/73/35/20/1040733520.db2.gz JRMWDRNAYHLTLG-UHFFFAOYSA-N 0 3 336.483 4.210 20 30 EIEDHN CC(C)N(Cc1cc(C#N)n(C)c1)Cc1cccc(Br)c1 ZINC000483173395 1040745754 /nfs/dbraw/zinc/74/57/54/1040745754.db2.gz NRLRBOFFTVVWJW-UHFFFAOYSA-N 0 3 346.272 4.070 20 30 EIEDHN Cn1cc(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1C#N ZINC000483307995 1040812585 /nfs/dbraw/zinc/81/25/85/1040812585.db2.gz OFJCTMVNNSOHBZ-UHFFFAOYSA-N 0 3 347.384 4.295 20 30 EIEDHN C=CCOc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)cc1OC ZINC000539851468 1040840176 /nfs/dbraw/zinc/84/01/76/1040840176.db2.gz WGXLUWDRFZEFAF-VQIMIIECSA-N 0 3 333.497 4.120 20 30 EIEDHN C[C@@H](NCC#Cc1ccccc1Cl)c1ccccc1-n1cccn1 ZINC000538158468 1041100558 /nfs/dbraw/zinc/10/05/58/1041100558.db2.gz BFABONGXAUWZQR-MRXNPFEDSA-N 0 3 335.838 4.228 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2ccccc2)c1 ZINC000538205283 1041142987 /nfs/dbraw/zinc/14/29/87/1041142987.db2.gz RMPIMCZMPJYFFM-OALUTQOASA-N 0 3 349.478 4.289 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2ccccc2)c1 ZINC000538205286 1041143994 /nfs/dbraw/zinc/14/39/94/1041143994.db2.gz RMPIMCZMPJYFFM-RBUKOAKNSA-N 0 3 349.478 4.289 20 30 EIEDHN CC[C@H](Cc1ccccc1)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075768141 1041346127 /nfs/dbraw/zinc/34/61/27/1041346127.db2.gz ZCNNINGUWNYBOD-LJQANCHMSA-N 0 3 346.434 4.061 20 30 EIEDHN C[C@@H](NCCSCc1ccccc1C#N)c1cccc(F)c1F ZINC000538459823 1041365170 /nfs/dbraw/zinc/36/51/70/1041365170.db2.gz MZVXMPJACNRCEE-CYBMUJFWSA-N 0 3 332.419 4.420 20 30 EIEDHN Cn1c2ccccc2cc(CN[C@H](CCCC#N)c2ccccc2)c1=O ZINC000516086759 1041386630 /nfs/dbraw/zinc/38/66/30/1041386630.db2.gz VOFAGMXCRCBBLG-HXUWFJFHSA-N 0 3 345.446 4.063 20 30 EIEDHN CC(C)(C#N)c1ccccc1CN1CCC(F)(c2ccccn2)CC1 ZINC000289444529 1041761107 /nfs/dbraw/zinc/76/11/07/1041761107.db2.gz WVOYDLJTBUJZSQ-UHFFFAOYSA-N 0 3 337.442 4.344 20 30 EIEDHN N#Cc1ccc(CN2CC[C@H](c3ccccc3)C2)c(OC(F)F)c1 ZINC000437425386 1041797894 /nfs/dbraw/zinc/79/78/94/1041797894.db2.gz GRKBMZFRXNMDGJ-INIZCTEOSA-N 0 3 328.362 4.149 20 30 EIEDHN C=CCOc1ccc(CN(Cc2ccc(C#N)cn2)C(C)(C)C)cc1 ZINC000517168169 1041887270 /nfs/dbraw/zinc/88/72/70/1041887270.db2.gz PUZFXRHVNFMOBW-UHFFFAOYSA-N 0 3 335.451 4.319 20 30 EIEDHN CN(CCOc1c(Cl)cccc1Cl)Cc1cccc(C#N)c1 ZINC000506129595 1041908263 /nfs/dbraw/zinc/90/82/63/1041908263.db2.gz AMSIENDMAJTIPD-UHFFFAOYSA-N 0 3 335.234 4.376 20 30 EIEDHN Cc1ccc(Sc2ccc(CNCCCC#N)cc2[N+](=O)[O-])cc1 ZINC000541381924 1041920810 /nfs/dbraw/zinc/92/08/10/1041920810.db2.gz KZALDYDOSBAOLZ-UHFFFAOYSA-N 0 3 341.436 4.448 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000517304275 1041949655 /nfs/dbraw/zinc/94/96/55/1041949655.db2.gz BUJQTOZLUJABIT-UHFFFAOYSA-N 0 3 346.540 4.177 20 30 EIEDHN Cc1cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc(C)c1F ZINC000464413065 1041989494 /nfs/dbraw/zinc/98/94/94/1041989494.db2.gz YBICTDOXAZBJMD-CYBMUJFWSA-N 0 3 336.288 4.346 20 30 EIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2ccccc2CO)cc1 ZINC000151811862 1042504727 /nfs/dbraw/zinc/50/47/27/1042504727.db2.gz DWFVOWHZAAOULW-HNNXBMFYSA-N 0 3 331.843 4.161 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCC(C(C)(C)C)CC2)CC1 ZINC000518512856 1042556152 /nfs/dbraw/zinc/55/61/52/1042556152.db2.gz CFRLOPFBVUJVGD-UHFFFAOYSA-N 0 3 349.563 4.273 20 30 EIEDHN Cc1cc(CNCc2cccc(OCC(F)(F)F)c2)ccc1C#N ZINC000443984215 1042717893 /nfs/dbraw/zinc/71/78/93/1042717893.db2.gz IDLPZBSNYSJLFU-UHFFFAOYSA-N 0 3 334.341 4.098 20 30 EIEDHN Cc1cc(CNCc2ccc(COCC(F)(F)F)cc2)ccc1C#N ZINC000443975409 1042717941 /nfs/dbraw/zinc/71/79/41/1042717941.db2.gz ZYNKSMWKINMOBD-UHFFFAOYSA-N 0 3 348.368 4.235 20 30 EIEDHN Cc1cc(Br)cc2c1[C@H](NCc1cccc(C#N)c1)CC2 ZINC000493843200 1042965045 /nfs/dbraw/zinc/96/50/45/1042965045.db2.gz KKFLRXXTLKTOKE-QGZVFWFLSA-N 0 3 341.252 4.406 20 30 EIEDHN Cc1nn(C)cc1CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542947238 1043050405 /nfs/dbraw/zinc/05/04/05/1043050405.db2.gz XNQFELMMAJUWTQ-HNNXBMFYSA-N 0 3 330.435 4.118 20 30 EIEDHN C#CCOc1ccc(CNCc2ccc(OC)cc2C(F)(F)F)cc1 ZINC000237233433 1043056413 /nfs/dbraw/zinc/05/64/13/1043056413.db2.gz RFZVNACZXNMHEX-UHFFFAOYSA-N 0 3 349.352 4.016 20 30 EIEDHN CC1CCC(N(Cc2nnc(-c3cccc(C#N)c3)o2)C2CC2)CC1 ZINC000075641499 1043073690 /nfs/dbraw/zinc/07/36/90/1043073690.db2.gz IPMQIAVOOFNPKF-UHFFFAOYSA-N 0 3 336.439 4.151 20 30 EIEDHN C=CC[C@H](C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1 ZINC000427772514 1043194661 /nfs/dbraw/zinc/19/46/61/1043194661.db2.gz VJNAABVSXBYDPI-NYVOZVTQSA-N 0 3 348.490 4.126 20 30 EIEDHN C=CCN1CCC(NC(=O)c2ccc(OCCCCCC)cc2)CC1 ZINC000729976937 1043422792 /nfs/dbraw/zinc/42/27/92/1043422792.db2.gz DYQPBKKGEQRXRW-UHFFFAOYSA-N 0 3 344.499 4.026 20 30 EIEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000494445856 1043487305 /nfs/dbraw/zinc/48/73/05/1043487305.db2.gz SLXAPYXLICLCBC-MPKXVKKWSA-N 0 3 337.286 4.268 20 30 EIEDHN N#CCOc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731848452 1043834254 /nfs/dbraw/zinc/83/42/54/1043834254.db2.gz YGMIZYTUZLYCOI-UHFFFAOYSA-N 0 3 336.435 4.239 20 30 EIEDHN N#CCOc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731848452 1043834259 /nfs/dbraw/zinc/83/42/59/1043834259.db2.gz YGMIZYTUZLYCOI-UHFFFAOYSA-N 0 3 336.435 4.239 20 30 EIEDHN N#Cc1ccc(CN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1F ZINC000192081201 1043869359 /nfs/dbraw/zinc/86/93/59/1043869359.db2.gz LLMGCBYCXLAFDA-ROUUACIJSA-N 0 3 348.780 4.110 20 30 EIEDHN COc1cc(CN2CC[C@H](CSc3ccccc3)C2)ccc1C#N ZINC000442883219 1043881493 /nfs/dbraw/zinc/88/14/93/1043881493.db2.gz GWOWCCQQCATAQI-KRWDZBQOSA-N 0 3 338.476 4.181 20 30 EIEDHN COc1ccc(CN(C)[C@H](C)c2ccc(C#N)cc2)cc1OC(F)F ZINC000118392833 1044666984 /nfs/dbraw/zinc/66/69/84/1044666984.db2.gz YGESNACWNWXNAI-CYBMUJFWSA-N 0 3 346.377 4.361 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCC(C)C)C(C)(C)C)CC1 ZINC000522400685 1044707604 /nfs/dbraw/zinc/70/76/04/1044707604.db2.gz GCHQTTVCAUJIQN-GOSISDBHSA-N 0 3 337.552 4.177 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN[C@H]3CCCCC34CCCC4)o2)c1 ZINC000555259477 1044853050 /nfs/dbraw/zinc/85/30/50/1044853050.db2.gz PXGWFAPDRBDCTH-KRWDZBQOSA-N 0 3 336.439 4.201 20 30 EIEDHN C=CCOc1cccc(CN[C@H](C)c2ccc(OC)c(OC)c2C)c1 ZINC000673618984 1044977626 /nfs/dbraw/zinc/97/76/26/1044977626.db2.gz NKZASUFXDOHRFZ-MRXNPFEDSA-N 0 3 341.451 4.428 20 30 EIEDHN Cc1nccn1-c1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272267931 1045023586 /nfs/dbraw/zinc/02/35/86/1045023586.db2.gz MTWKRXBAROPBBY-INIZCTEOSA-N 0 3 342.446 4.392 20 30 EIEDHN Cc1nc(C)c([C@@H](C)N(C)CCCOc2cccc(C#N)c2)s1 ZINC000156291321 1045034553 /nfs/dbraw/zinc/03/45/53/1045034553.db2.gz KNPYYNMKLCJWPV-CQSZACIVSA-N 0 3 329.469 4.094 20 30 EIEDHN CCCN(CCCSCC#N)Cc1ccccc1Br ZINC000466716043 1045080018 /nfs/dbraw/zinc/08/00/18/1045080018.db2.gz FIOFOWFESQGESP-UHFFFAOYSA-N 0 3 341.318 4.308 20 30 EIEDHN C=CCOc1ccc(CN[C@@H]2CCc3cc(F)c(OC)cc32)cc1 ZINC000509420699 1045148093 /nfs/dbraw/zinc/14/80/93/1045148093.db2.gz ZPAFHZMFSZPFMA-LJQANCHMSA-N 0 3 327.399 4.176 20 30 EIEDHN C=CC[C@@H](N[C@H](C)c1ccc(OC)c(COC)c1)c1ccncc1 ZINC000766018367 1045192135 /nfs/dbraw/zinc/19/21/35/1045192135.db2.gz GZINRGRTPDITEL-DNVCBOLYSA-N 0 3 326.440 4.205 20 30 EIEDHN Cc1ccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)s1 ZINC000611158476 1045255948 /nfs/dbraw/zinc/25/59/48/1045255948.db2.gz YRMCMUPFOBZXLX-SNVBAGLBSA-N 0 3 331.397 4.051 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000611252168 1045265577 /nfs/dbraw/zinc/26/55/77/1045265577.db2.gz WZCNTAWKZSXSKJ-AWEZNQCLSA-N 0 3 339.395 4.244 20 30 EIEDHN Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3cccc(C#N)c3)cc2)n1 ZINC000611387454 1045294601 /nfs/dbraw/zinc/29/46/01/1045294601.db2.gz ORJLYXDORGYOPJ-KRWDZBQOSA-N 0 3 330.435 4.212 20 30 EIEDHN CCCC(=O)Nc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390688 1045297787 /nfs/dbraw/zinc/29/77/87/1045297787.db2.gz OPOYFKVGPCKXAJ-OAQYLSRUSA-N 0 3 347.462 4.464 20 30 EIEDHN CC(=O)N1CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000611394399 1045298526 /nfs/dbraw/zinc/29/85/26/1045298526.db2.gz HLPOVZPKNSLVFE-NHCUHLMSSA-N 0 3 345.446 4.023 20 30 EIEDHN C[C@H](Cc1cccc(F)c1)N1CCC(Oc2ccccc2C#N)CC1 ZINC001168494919 1045401139 /nfs/dbraw/zinc/40/11/39/1045401139.db2.gz DUNBVJJSMPAGAE-MRXNPFEDSA-N 0 3 338.426 4.172 20 30 EIEDHN Cc1ccc(F)cc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000193770118 1045466371 /nfs/dbraw/zinc/46/63/71/1045466371.db2.gz LKVCWMNWFJNFAO-ZDUSSCGKSA-N 0 3 343.308 4.369 20 30 EIEDHN C=CC1(CC(=O)N2c3ccccc3CC[C@H]2CN(C)C)CCCCC1 ZINC001129364758 1045520444 /nfs/dbraw/zinc/52/04/44/1045520444.db2.gz SROZWOBHKWDKLM-IBGZPJMESA-N 0 3 340.511 4.423 20 30 EIEDHN CN(CCCC#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000067117404 1045739208 /nfs/dbraw/zinc/73/92/08/1045739208.db2.gz FSUNQBPULAQNOQ-CYBMUJFWSA-N 0 3 325.275 4.222 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/CCO[C@@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000915978517 1045849640 /nfs/dbraw/zinc/84/96/40/1045849640.db2.gz HOPNUVQQEXYLAV-SREWTPRASA-N 0 3 332.488 4.253 20 30 EIEDHN N#CC(C(=O)CCc1cccc(F)c1F)c1nccc2ccccc21 ZINC000792097957 1045865094 /nfs/dbraw/zinc/86/50/94/1045865094.db2.gz ZGWBPZOJYMHDNL-INIZCTEOSA-N 0 3 336.341 4.322 20 30 EIEDHN O[C@H](C[C@@H]1CCCCCN1CC#Cc1ccccc1)c1cccs1 ZINC000792239647 1045880054 /nfs/dbraw/zinc/88/00/54/1045880054.db2.gz CYBOKXMQNOEXSX-VQTJNVASSA-N 0 3 339.504 4.468 20 30 EIEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H](C)Cc1ccccc1Cl)C2 ZINC001170285189 1045987281 /nfs/dbraw/zinc/98/72/81/1045987281.db2.gz RCNHXYDYWYUFTJ-XKGZKEIXSA-N 0 3 349.902 4.097 20 30 EIEDHN [O-]/N=C/c1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001170333664 1046005441 /nfs/dbraw/zinc/00/54/41/1046005441.db2.gz QWWTYJHLKMOXNK-FBUDGSANSA-N 0 3 335.451 4.102 20 30 EIEDHN [O-]/N=C/c1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001170333664 1046005456 /nfs/dbraw/zinc/00/54/56/1046005456.db2.gz QWWTYJHLKMOXNK-FBUDGSANSA-N 0 3 335.451 4.102 20 30 EIEDHN N#CC1(c2ccccc2)CCC(n2nc(CN)c3ccccc32)CC1 ZINC001170358861 1046014497 /nfs/dbraw/zinc/01/44/97/1046014497.db2.gz ATHPMMLHVNJYQT-UHFFFAOYSA-N 0 3 330.435 4.072 20 30 EIEDHN N#Cc1ccc(-c2cccc(CNCc3cccc4nccn43)c2)s1 ZINC000769693482 1046046068 /nfs/dbraw/zinc/04/60/68/1046046068.db2.gz QCFKCZWPVZLKEW-UHFFFAOYSA-N 0 3 344.443 4.224 20 30 EIEDHN CC(C)[C@H](COCc1ccccc1)NCc1ccc(C#N)cc1F ZINC000615085954 1046150224 /nfs/dbraw/zinc/15/02/24/1046150224.db2.gz ZYRMGELFKYLYKT-FQEVSTJZSA-N 0 3 326.415 4.028 20 30 EIEDHN CCOc1cccc(/C=N/C[C@@H](c2cccs2)N2CCCC2)c1O ZINC000005293085 1046233420 /nfs/dbraw/zinc/23/34/20/1046233420.db2.gz LAAUVPLWRWLIJB-UOEVCUDDSA-N 0 3 344.480 4.108 20 30 EIEDHN Cc1cc2c(cc1C)[C@@H](C(=O)C(C#N)c1nc3ccccc3s1)CO2 ZINC000770841344 1046279264 /nfs/dbraw/zinc/27/92/64/1046279264.db2.gz DNUGEMROJXYIJZ-GJZGRUSLSA-N 0 3 348.427 4.266 20 30 EIEDHN N#Cc1ccc2ncc(CN3CCC[C@H](c4ccc(F)cc4)CC3)n2c1 ZINC000497151447 1046357786 /nfs/dbraw/zinc/35/77/86/1046357786.db2.gz VVSOWLQIMCFPCH-KRWDZBQOSA-N 0 3 348.425 4.115 20 30 EIEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCC1CCCC1 ZINC000916900318 1046424963 /nfs/dbraw/zinc/42/49/63/1046424963.db2.gz NVHMOJNVKPDUBM-GOSISDBHSA-N 0 3 340.467 4.429 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1 ZINC000916913182 1046458085 /nfs/dbraw/zinc/45/80/85/1046458085.db2.gz NMTKWKIUZOONNY-SQNIBIBYSA-N 0 3 338.451 4.135 20 30 EIEDHN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000916945976 1046489300 /nfs/dbraw/zinc/48/93/00/1046489300.db2.gz GYTVVOOMACJSDG-LLVKDONJSA-N 0 3 349.164 4.076 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)c(C)cc2Cl)CC1 ZINC000455734578 1046512926 /nfs/dbraw/zinc/51/29/26/1046512926.db2.gz QRTJOMABXSOKRR-UHFFFAOYSA-N 0 3 335.879 4.119 20 30 EIEDHN CN(CC(=O)Nc1ccccc1SCC#N)C1CCC(C)(C)CC1 ZINC000127534240 1046690659 /nfs/dbraw/zinc/69/06/59/1046690659.db2.gz ILEOCBNOZJHJHU-UHFFFAOYSA-N 0 3 345.512 4.141 20 30 EIEDHN CCCCCN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)C ZINC000917099935 1046710287 /nfs/dbraw/zinc/71/02/87/1046710287.db2.gz GKZOEWMMQZWBCL-HNNXBMFYSA-N 0 3 343.496 4.373 20 30 EIEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCCC2)cc1F ZINC000459548884 1046769114 /nfs/dbraw/zinc/76/91/14/1046769114.db2.gz UYUHLKCGGZQHAB-HXUWFJFHSA-N 0 3 338.426 4.081 20 30 EIEDHN CC(C)C[C@@]1(C)CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001170480518 1046890453 /nfs/dbraw/zinc/89/04/53/1046890453.db2.gz NQPSACFLNQERFZ-GOSISDBHSA-N 0 3 333.863 4.051 20 30 EIEDHN CN(C)[C@H](C/N=C/c1c(O)ccc2ccccc21)c1ccc(F)cc1 ZINC000917557241 1046996376 /nfs/dbraw/zinc/99/63/76/1046996376.db2.gz CDQBYPMRADIAKM-VMHRPQTGSA-N 0 3 336.410 4.406 20 30 EIEDHN N#Cc1ccc(CNCCOc2cccc(Cl)c2Cl)s1 ZINC000537275050 1047065834 /nfs/dbraw/zinc/06/58/34/1047065834.db2.gz HIJUUKLAKWMGIG-UHFFFAOYSA-N 0 3 327.236 4.095 20 30 EIEDHN Cc1cc(Br)cc(C)c1CNCc1ccc(C#N)s1 ZINC000537295367 1047079078 /nfs/dbraw/zinc/07/90/78/1047079078.db2.gz YYJBRGPYIMJFCU-UHFFFAOYSA-N 0 3 335.270 4.289 20 30 EIEDHN COc1cc(C)c([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000537408377 1047201189 /nfs/dbraw/zinc/20/11/89/1047201189.db2.gz XJHKSCSSYKPILZ-KGLIPLIRSA-N 0 3 342.414 4.435 20 30 EIEDHN CN(C)[C@@H](C/N=C\c1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000746816227 1047428055 /nfs/dbraw/zinc/42/80/55/1047428055.db2.gz OOZQGHHHTJRPLL-OBLBUWMUSA-N 0 3 337.250 4.421 20 30 EIEDHN CC[C@H](NCc1ccc(NC(=O)C(C)C)cc1)c1ccc(C#N)cc1 ZINC000556063870 1047429496 /nfs/dbraw/zinc/42/94/96/1047429496.db2.gz NWKNIASRBLQREW-FQEVSTJZSA-N 0 3 335.451 4.394 20 30 EIEDHN CC[C@@H](NCc1ccc(NC(=O)C(C)C)cc1)c1ccc(C#N)cc1 ZINC000556063875 1047430474 /nfs/dbraw/zinc/43/04/74/1047430474.db2.gz NWKNIASRBLQREW-HXUWFJFHSA-N 0 3 335.451 4.394 20 30 EIEDHN N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000824683509 1047901233 /nfs/dbraw/zinc/90/12/33/1047901233.db2.gz MXEVJEMITQSAFO-LPHOPBHVSA-N 0 3 336.435 4.143 20 30 EIEDHN N#Cc1ccc(O[C@@H]2CCCN(Cc3c[nH]c4cccc(F)c34)C2)cc1 ZINC001136988765 1048035672 /nfs/dbraw/zinc/03/56/72/1048035672.db2.gz SBLFYYWCDFXFOS-GOSISDBHSA-N 0 3 349.409 4.222 20 30 EIEDHN C=C1CCC(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001143678940 1048150489 /nfs/dbraw/zinc/15/04/89/1048150489.db2.gz BIUAEDNZGHJIKH-HXUWFJFHSA-N 0 3 326.484 4.076 20 30 EIEDHN N=C(N[C@@H]1CCc2cc(Cl)ccc2C1)c1ccc2ccccc2n1 ZINC001171104973 1048195079 /nfs/dbraw/zinc/19/50/79/1048195079.db2.gz LXYMJUDSMSLHTP-QGZVFWFLSA-N 0 3 335.838 4.151 20 30 EIEDHN CC(C)(CCC#N)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809778950 1048528840 /nfs/dbraw/zinc/52/88/40/1048528840.db2.gz YYPLICQPLBOHMO-UHFFFAOYSA-N 0 3 338.451 4.391 20 30 EIEDHN N#CCSCCCN1CCC[C@@H]1c1cccc(Br)c1 ZINC000074981994 1048639210 /nfs/dbraw/zinc/63/92/10/1048639210.db2.gz GIWSWNDTHYNAPV-OAHLLOKOSA-N 0 3 339.302 4.233 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810130562 1048640691 /nfs/dbraw/zinc/64/06/91/1048640691.db2.gz VZFAFDZYKVUZTA-KRWDZBQOSA-N 0 3 347.462 4.234 20 30 EIEDHN CCO[C@H](C(=O)C(C#N)c1ccc2ccccc2n1)c1ccccc1 ZINC000920324963 1048649219 /nfs/dbraw/zinc/64/92/19/1048649219.db2.gz SJMFHGJIIXWWOI-UTKZUKDTSA-N 0 3 330.387 4.189 20 30 EIEDHN Cc1cc(N(C)C)ccc1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000810146630 1048655358 /nfs/dbraw/zinc/65/53/58/1048655358.db2.gz UHQAHPBBKYPOBP-UHFFFAOYSA-N 0 3 347.384 4.241 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)NCc1ccsc1Br ZINC001171183689 1048673885 /nfs/dbraw/zinc/67/38/85/1048673885.db2.gz ISPGOKDYLVMFKB-LLVKDONJSA-N 0 3 335.270 4.103 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000810225704 1048693808 /nfs/dbraw/zinc/69/38/08/1048693808.db2.gz KKOWDROQCCUNQI-RXVVDRJESA-N 0 3 331.419 4.016 20 30 EIEDHN C#C[C@@H]1CCCN(Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC001144498265 1048704095 /nfs/dbraw/zinc/70/40/95/1048704095.db2.gz FVSPCIUABHJTRI-GOSISDBHSA-N 0 3 335.447 4.119 20 30 EIEDHN C#CCCOc1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000816631670 1048852239 /nfs/dbraw/zinc/85/22/39/1048852239.db2.gz ZTEUSUYGFOARDA-JOCHJYFZSA-N 0 3 349.474 4.082 20 30 EIEDHN O[C@@H](C[C@H]1CCCCCN1CC#Cc1ccc(F)cc1)c1ccco1 ZINC000747660865 1048899129 /nfs/dbraw/zinc/89/91/29/1048899129.db2.gz WGISLZMUVFTUKR-UXHICEINSA-N 0 3 341.426 4.139 20 30 EIEDHN CC(C)c1ccc(C(C)(C)NCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000609358792 1049034609 /nfs/dbraw/zinc/03/46/09/1049034609.db2.gz YQADYGGPTVTUPY-UHFFFAOYSA-N 0 3 335.451 4.145 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000747712905 1049058448 /nfs/dbraw/zinc/05/84/48/1049058448.db2.gz KTYJVIAKTMXTGQ-BKUYFWCQSA-N 0 3 328.843 4.261 20 30 EIEDHN CCN(Cc1ccc(F)cc1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000609432222 1049062208 /nfs/dbraw/zinc/06/22/08/1049062208.db2.gz UXYQFMZJUWIVMV-HNNXBMFYSA-N 0 3 326.415 4.159 20 30 EIEDHN Cc1ccc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc1[N+](=O)[O-] ZINC000175056242 1049074605 /nfs/dbraw/zinc/07/46/05/1049074605.db2.gz VLWVPBVPMFNDHR-CABCVRRESA-N 0 3 339.395 4.045 20 30 EIEDHN C#C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000811517578 1049100828 /nfs/dbraw/zinc/10/08/28/1049100828.db2.gz WPWVHRBYPPTJLZ-NRFANRHFSA-N 0 3 349.865 4.145 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc3c(c2)COC3)c1 ZINC000772984815 1049265919 /nfs/dbraw/zinc/26/59/19/1049265919.db2.gz QHCHOXGWVHPKQP-FOIQADDNSA-N 0 3 336.435 4.249 20 30 EIEDHN CC(C)(C)OC(=O)c1ccccc1C1CCN(CCCC#N)CC1 ZINC000615238849 1049570225 /nfs/dbraw/zinc/57/02/25/1049570225.db2.gz UESQPSGBEGIYGI-UHFFFAOYSA-N 0 3 328.456 4.125 20 30 EIEDHN COc1ccc(CN[C@H](C)c2ccc(SC)c(OC)c2)cc1C#N ZINC000773084582 1049570608 /nfs/dbraw/zinc/57/06/08/1049570608.db2.gz UILIXCLLWIBNLG-CYBMUJFWSA-N 0 3 342.464 4.148 20 30 EIEDHN Cc1nc2ccccc2n1CCCCCN(CCC#N)CC(C)C ZINC000812826498 1049587632 /nfs/dbraw/zinc/58/76/32/1049587632.db2.gz JUKXOACYGFDXMS-UHFFFAOYSA-N 0 3 326.488 4.387 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCCC2CC2)cc1 ZINC000813060399 1049668060 /nfs/dbraw/zinc/66/80/60/1049668060.db2.gz YLPMCRVPZSIYRC-GOSISDBHSA-N 0 3 326.440 4.257 20 30 EIEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CCC2)C[C@H]1C(C)(C)C ZINC001171584585 1049750494 /nfs/dbraw/zinc/75/04/94/1049750494.db2.gz IRJZXBLJYQLVHT-CVEARBPZSA-N 0 3 349.519 4.084 20 30 EIEDHN CCCCN(CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171852751 1049813360 /nfs/dbraw/zinc/81/33/60/1049813360.db2.gz HABAZYOIHFXFEO-KRWDZBQOSA-N 0 3 349.519 4.324 20 30 EIEDHN CCCCCCC[C@H](CC)NC1(C(=O)OCC)CCN(CC)CC1 ZINC001172350523 1049892243 /nfs/dbraw/zinc/89/22/43/1049892243.db2.gz OCDSODROYOBCNV-SFHVURJKSA-N 0 3 340.552 4.133 20 30 EIEDHN C[C@H](CCCC#N)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001172507431 1049925576 /nfs/dbraw/zinc/92/55/76/1049925576.db2.gz UINYUEHGURGJLH-HXUWFJFHSA-N 0 3 347.506 4.476 20 30 EIEDHN CCCC[C@H]1C[C@@H](N[C@H](CC)CC#N)CCN1C(=O)OC(C)(C)C ZINC001172640320 1049953955 /nfs/dbraw/zinc/95/39/55/1049953955.db2.gz ZQADYDUPHXESRS-IKGGRYGDSA-N 0 3 337.508 4.227 20 30 EIEDHN COc1cc(Br)ccc1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000248989467 1050087016 /nfs/dbraw/zinc/08/70/16/1050087016.db2.gz NBJVWDJRUFMXPE-OUCADQQQSA-N 0 3 337.261 4.191 20 30 EIEDHN C=C[C@@H](N[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001173065082 1050278457 /nfs/dbraw/zinc/27/84/57/1050278457.db2.gz UHHOFSNAFHGZMQ-BPQIPLTHSA-N 0 3 330.472 4.291 20 30 EIEDHN N#CCC1CCC(NCc2c(F)cc(Br)cc2F)CC1 ZINC001173333221 1050423082 /nfs/dbraw/zinc/42/30/82/1050423082.db2.gz FFXUQAIECNPQOD-UHFFFAOYSA-N 0 3 343.215 4.289 20 30 EIEDHN C=CCOc1ccc(CN[C@H]2CCCc3nc(C)sc32)cc1OC ZINC001178285177 1050428856 /nfs/dbraw/zinc/42/88/56/1050428856.db2.gz MHNQRHLFBVOXJO-HNNXBMFYSA-N 0 3 344.480 4.192 20 30 EIEDHN C=CCOC1CCC(N[C@@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001173314358 1050439402 /nfs/dbraw/zinc/43/94/02/1050439402.db2.gz OXOLJGPXMPAMPF-KVULBXGLSA-N 0 3 344.282 4.130 20 30 EIEDHN N#Cc1ccc(C2CCN(C3Cc4cc(F)c(F)cc4C3)CC2)cc1 ZINC001173484143 1050462889 /nfs/dbraw/zinc/46/28/89/1050462889.db2.gz POTDEBGJNYFSHE-UHFFFAOYSA-N 0 3 338.401 4.183 20 30 EIEDHN Cn1cc(CNCc2cccc(C3CC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC001178464005 1050477610 /nfs/dbraw/zinc/47/76/10/1050477610.db2.gz URNFANZJSVNGHA-UHFFFAOYSA-N 0 3 342.446 4.126 20 30 EIEDHN CC[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(OC)c(OC)c1 ZINC000618803301 1050533114 /nfs/dbraw/zinc/53/31/14/1050533114.db2.gz SKZIIQWEGIQGRI-RTBURBONSA-N 0 3 336.435 4.304 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)SC)cc1 ZINC000773770103 1050551684 /nfs/dbraw/zinc/55/16/84/1050551684.db2.gz LTRGSLYICFPJFB-RHSMWYFYSA-N 0 3 346.496 4.208 20 30 EIEDHN C[Si](C)(C)c1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001178851383 1050572646 /nfs/dbraw/zinc/57/26/46/1050572646.db2.gz KAVDWYRXMNHWNH-UHFFFAOYSA-N 0 3 334.539 4.077 20 30 EIEDHN C=CCCCN(C)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000093533559 1050629536 /nfs/dbraw/zinc/62/95/36/1050629536.db2.gz GCIQQFLMMGABIG-UHFFFAOYSA-N 0 3 326.440 4.067 20 30 EIEDHN CN(C)Cc1ccccc1Nc1ccc(Br)cc1C#N ZINC001173930117 1050649864 /nfs/dbraw/zinc/64/98/64/1050649864.db2.gz QOVYQQOGNZIZFG-UHFFFAOYSA-N 0 3 330.229 4.126 20 30 EIEDHN N#Cc1ccc(CN2CCCC[C@H]2Cc2ccc(F)cc2)c(F)c1 ZINC001180183354 1050895688 /nfs/dbraw/zinc/89/56/88/1050895688.db2.gz CBQPHUCURBYFTP-IBGZPJMESA-N 0 3 326.390 4.434 20 30 EIEDHN C#CCN(Cc1ccc(O[C@@H](C)COC)cc1)[C@H]1CCc2ccccc21 ZINC001180296818 1050957526 /nfs/dbraw/zinc/95/75/26/1050957526.db2.gz MBZRDBRSXQPKEX-MBSDFSHPSA-N 0 3 349.474 4.223 20 30 EIEDHN CN(CC(=O)Nc1ccccc1-c1ccc(C#N)cc1)C1CCCC1 ZINC001180629588 1051054587 /nfs/dbraw/zinc/05/45/87/1051054587.db2.gz OXZRTIDWMNTRJS-UHFFFAOYSA-N 0 3 333.435 4.038 20 30 EIEDHN C=C(CNCc1ccccc1OCc1ccccn1)c1ccccc1 ZINC000620756534 1051275840 /nfs/dbraw/zinc/27/58/40/1051275840.db2.gz IRXBQRZZOBCGFZ-UHFFFAOYSA-N 0 3 330.431 4.464 20 30 EIEDHN CCCCCCCCNC(=O)N(C1CCCC1)C1CCN(C)CC1 ZINC001191068905 1051339743 /nfs/dbraw/zinc/33/97/43/1051339743.db2.gz AMXIVZBSALZVHI-UHFFFAOYSA-N 0 3 337.552 4.395 20 30 EIEDHN Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC001191213771 1051386584 /nfs/dbraw/zinc/38/65/84/1051386584.db2.gz KNAXYIMXZZRYRJ-NHCUHLMSSA-N 0 3 347.462 4.073 20 30 EIEDHN Cc1ccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000155442128 1051419978 /nfs/dbraw/zinc/41/99/78/1051419978.db2.gz SPQMRQOROURZJI-INIZCTEOSA-N 0 3 333.416 4.364 20 30 EIEDHN COc1ccc([C@H](NCC#Cc2ccccc2Cl)C2CC2)cc1 ZINC001192585607 1051770567 /nfs/dbraw/zinc/77/05/67/1051770567.db2.gz XSXXTMTXVKJBBU-HXUWFJFHSA-N 0 3 325.839 4.441 20 30 EIEDHN CC(C)(C)[C@@H](COc1ccccc1F)NCC#Cc1ccc(F)cc1 ZINC001192603910 1051776129 /nfs/dbraw/zinc/77/61/29/1051776129.db2.gz ITPJJTUKVKXGDA-HXUWFJFHSA-N 0 3 343.417 4.400 20 30 EIEDHN CCN1CCN(c2ccc(Nc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC001175780386 1051780981 /nfs/dbraw/zinc/78/09/81/1051780981.db2.gz FUFKYDDDWCLHRE-UHFFFAOYSA-N 0 3 348.494 4.373 20 30 EIEDHN COc1ccc(CN(C)Cc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000775557678 1051839102 /nfs/dbraw/zinc/83/91/02/1051839102.db2.gz GZRWRZWHCSJUMF-UHFFFAOYSA-N 0 3 326.415 4.267 20 30 EIEDHN CC[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001193210574 1051886606 /nfs/dbraw/zinc/88/66/06/1051886606.db2.gz OIECMCVOJNRYAL-XMSQKQJNSA-N 0 3 333.479 4.216 20 30 EIEDHN C[C@H]1C[C@@H](N2CCC3(CC2)CC(=O)C=CO3)c2ccsc2S1 ZINC001184054688 1051946644 /nfs/dbraw/zinc/94/66/44/1051946644.db2.gz IYDZKTHGMQHELT-SWLSCSKDSA-N 0 3 335.494 4.011 20 30 EIEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CC#Cc2ccccc2Cl)C1 ZINC001193957480 1052031825 /nfs/dbraw/zinc/03/18/25/1052031825.db2.gz YMCXCOQNKFWMJW-PLWAMTLXSA-N 0 3 345.914 4.343 20 30 EIEDHN Cc1nsc(NC[C@H](c2ccccc2)N2CCC(C)CC2)c1C#N ZINC001184981470 1052137891 /nfs/dbraw/zinc/13/78/91/1052137891.db2.gz AQVXDEVTKPSLBN-GOSISDBHSA-N 0 3 340.496 4.208 20 30 EIEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001176767239 1052192964 /nfs/dbraw/zinc/19/29/64/1052192964.db2.gz BJVPLSYXBCQQRA-HNNXBMFYSA-N 0 3 326.362 4.075 20 30 EIEDHN Cc1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)ccc1C#N ZINC000774908427 1052274880 /nfs/dbraw/zinc/27/48/80/1052274880.db2.gz HWJLMKZRZMZEHI-OAQYLSRUSA-N 0 3 346.430 4.196 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2c(CC)ccc(Cl)c2CC)CC1 ZINC000171741400 1052446282 /nfs/dbraw/zinc/44/62/82/1052446282.db2.gz JRPJICIAJABVQH-UHFFFAOYSA-N 0 3 349.906 4.237 20 30 EIEDHN C=CCC[C@@H](NCC(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000178758025 1052713444 /nfs/dbraw/zinc/71/34/44/1052713444.db2.gz QNBAWKQKOMBFJA-GOSISDBHSA-N 0 3 338.451 4.239 20 30 EIEDHN C=CCC[C@H](NCC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000180038409 1052775441 /nfs/dbraw/zinc/77/54/41/1052775441.db2.gz DBFOXJRDINQIFU-KRWDZBQOSA-N 0 3 330.378 4.200 20 30 EIEDHN C=CCC[C@H](NCC(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000180045809 1052775506 /nfs/dbraw/zinc/77/55/06/1052775506.db2.gz ICPPDKMXEWDKRF-SFHVURJKSA-N 0 3 338.451 4.321 20 30 EIEDHN COc1c(C)cc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1C ZINC000180776042 1052815364 /nfs/dbraw/zinc/81/53/64/1052815364.db2.gz PMLFRNULBJLTTQ-CQSZACIVSA-N 0 3 328.437 4.382 20 30 EIEDHN CCCC[C@H](C)N(C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001194875505 1053143398 /nfs/dbraw/zinc/14/33/98/1053143398.db2.gz ZNHDEOODKFVFGN-INIZCTEOSA-N 0 3 349.906 4.406 20 30 EIEDHN C#CCN[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000764598245 1053223079 /nfs/dbraw/zinc/22/30/79/1053223079.db2.gz FNMDKXZLPKHWAF-SNVBAGLBSA-N 0 3 335.270 4.165 20 30 EIEDHN Cc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)c2nc3ccccc3o2)cc1C ZINC000850782494 1053360755 /nfs/dbraw/zinc/36/07/55/1053360755.db2.gz MYLHYSAAXFEUBD-BBWFWOEESA-N 0 3 330.387 4.425 20 30 EIEDHN CC(C)(C)c1csc(CC2CCN(CC3(CC#N)CC3)CC2)n1 ZINC001196014022 1053557968 /nfs/dbraw/zinc/55/79/68/1053557968.db2.gz OWPNVHGOTIJQDU-UHFFFAOYSA-N 0 3 331.529 4.389 20 30 EIEDHN C=CCN(Cc1cc(Cl)cc(Br)c1)[C@H](C)COC ZINC001196048076 1053570713 /nfs/dbraw/zinc/57/07/13/1053570713.db2.gz MOVIVRWWCHOMMH-LLVKDONJSA-N 0 3 332.669 4.125 20 30 EIEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H](C)CC(C)C ZINC000765585945 1053749448 /nfs/dbraw/zinc/74/94/48/1053749448.db2.gz DTSCOAMQYFJZMF-RHSMWYFYSA-N 0 3 328.456 4.141 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccccc2N2CCCC2)cc1 ZINC000121231452 1053824325 /nfs/dbraw/zinc/82/43/25/1053824325.db2.gz NSFVDNZIGPZMAJ-SFHVURJKSA-N 0 3 349.478 4.210 20 30 EIEDHN COc1ccccc1[C@@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC001197212102 1053853991 /nfs/dbraw/zinc/85/39/91/1053853991.db2.gz GRHQTWIWPLHJIS-LJQANCHMSA-N 0 3 337.438 4.456 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc3ncsc3c2)cc1 ZINC000776807285 1053907361 /nfs/dbraw/zinc/90/73/61/1053907361.db2.gz GEUIFKIBCBFVSF-ZIAGYGMSSA-N 0 3 337.448 4.438 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2cc(C)ccc2C)ccc1OC ZINC000113347637 1053923827 /nfs/dbraw/zinc/92/38/27/1053923827.db2.gz XKEUGFLTXRTVGA-LJQANCHMSA-N 0 3 338.451 4.283 20 30 EIEDHN Cc1ccc2[nH]c([C@@H]3CCCN(Cc4cc(C#N)ccc4F)C3)nc2c1 ZINC000130773817 1053924790 /nfs/dbraw/zinc/92/47/90/1053924790.db2.gz QGRQQELHSCRNEG-MRXNPFEDSA-N 0 3 348.425 4.262 20 30 EIEDHN Cc1ccc2nc([C@@H]3CCCN(Cc4cc(C#N)ccc4F)C3)[nH]c2c1 ZINC000130773817 1053924804 /nfs/dbraw/zinc/92/48/04/1053924804.db2.gz QGRQQELHSCRNEG-MRXNPFEDSA-N 0 3 348.425 4.262 20 30 EIEDHN CC(C)(C(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCCCO1 ZINC000870124656 1054063105 /nfs/dbraw/zinc/06/31/05/1054063105.db2.gz ZAVLBVPYDDDYEA-IUODEOHRSA-N 0 3 328.437 4.068 20 30 EIEDHN C[C@H](CCc1ccc(F)cc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000870162797 1054064972 /nfs/dbraw/zinc/06/49/72/1054064972.db2.gz NHGUKNJAYWDAAX-CZUORRHYSA-N 0 3 336.366 4.412 20 30 EIEDHN C[C@]12CN(Cc3ccc(C#N)cc3OC(F)F)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198252369 1054110355 /nfs/dbraw/zinc/11/03/55/1054110355.db2.gz RWYQQVIWFNHOMC-NQUFMGSDSA-N 0 3 332.394 4.028 20 30 EIEDHN N#CC(C(=O)Nc1ccccc1Cl)c1nc2ccccc2s1 ZINC000338623726 1054255077 /nfs/dbraw/zinc/25/50/77/1054255077.db2.gz CHQHLTSFQONMSB-JTQLQIEISA-N 0 3 327.796 4.196 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045972 1054409060 /nfs/dbraw/zinc/40/90/60/1054409060.db2.gz FDZXENCPTBJEPU-FOIQADDNSA-N 0 3 333.435 4.045 20 30 EIEDHN CSCCCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000124037070 1054435117 /nfs/dbraw/zinc/43/51/17/1054435117.db2.gz GMETZCBSARGGDU-INIZCTEOSA-N 0 3 340.448 4.020 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCCSC)cc1 ZINC000124097535 1054447930 /nfs/dbraw/zinc/44/79/30/1054447930.db2.gz HBRMJWUURNZCHL-YOEHRIQHSA-N 0 3 346.496 4.381 20 30 EIEDHN C#CCCOc1ccc(CNC(C)(C)c2ccc(OC)c(F)c2)cc1 ZINC000858257006 1054449862 /nfs/dbraw/zinc/44/98/62/1054449862.db2.gz CDSVNWBKENRVLO-UHFFFAOYSA-N 0 3 341.426 4.261 20 30 EIEDHN CN(C)Cc1ccccc1NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000858426995 1054487124 /nfs/dbraw/zinc/48/71/24/1054487124.db2.gz WBEBXXYECATIPF-UHFFFAOYSA-N 0 3 347.462 4.070 20 30 EIEDHN C=CCOc1c(Cl)cc(CNC2(C)CC(F)(F)C2)cc1OC ZINC000873197968 1054508280 /nfs/dbraw/zinc/50/82/80/1054508280.db2.gz XCCMAHIRRRWYMW-UHFFFAOYSA-N 0 3 331.790 4.191 20 30 EIEDHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCCOC3=O)cc2)cc1C#N ZINC000859314716 1054660659 /nfs/dbraw/zinc/66/06/59/1054660659.db2.gz ZCZDRCZJQTZXNX-INIZCTEOSA-N 0 3 349.434 4.064 20 30 EIEDHN COc1cc(C#N)ccc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201475048 1054829393 /nfs/dbraw/zinc/82/93/93/1054829393.db2.gz QRCNEXWILSADGU-UXHICEINSA-N 0 3 345.446 4.300 20 30 EIEDHN N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1F ZINC001201477747 1054829771 /nfs/dbraw/zinc/82/97/71/1054829771.db2.gz KUXBMAXQZVJYIH-UXHICEINSA-N 0 3 333.410 4.430 20 30 EIEDHN CCCCCCCN1Cc2cn(CC3CC3)nc2[C@H](COCC)C1 ZINC001201762742 1054900298 /nfs/dbraw/zinc/90/02/98/1054900298.db2.gz SHJNSEFWJFLZIP-IBGZPJMESA-N 0 3 333.520 4.199 20 30 EIEDHN CCCCCCCCN1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001201814996 1054914147 /nfs/dbraw/zinc/91/41/47/1054914147.db2.gz VNUBXTDNQNVDEJ-UHFFFAOYSA-N 0 3 333.520 4.065 20 30 EIEDHN C[C@@H](NC1CCC(C#N)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000877471313 1055058126 /nfs/dbraw/zinc/05/81/26/1055058126.db2.gz VCOSMJADCBVAQW-XIKARTHZSA-N 0 3 330.819 4.123 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(C)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000877951910 1055160721 /nfs/dbraw/zinc/16/07/21/1055160721.db2.gz UHDJVWKKIKVVCW-VXKWHMMOSA-N 0 3 332.447 4.046 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccsc2)cc1 ZINC000131515057 1055243669 /nfs/dbraw/zinc/24/36/69/1055243669.db2.gz VHTDPRUNJNBNJT-MLGOLLRUSA-N 0 3 326.421 4.223 20 30 EIEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc2c(c1)CCCC2 ZINC000072707065 1056463495 /nfs/dbraw/zinc/46/34/95/1056463495.db2.gz BTUDMRHTBBLHBL-CVEARBPZSA-N 0 3 347.462 4.115 20 30 EIEDHN Cc1cc(CN2CCSCC2)ccc1NCc1csc(C#N)c1 ZINC000921887571 1056811283 /nfs/dbraw/zinc/81/12/83/1056811283.db2.gz HHDJIJNNGXFWLA-UHFFFAOYSA-N 0 3 343.521 4.089 20 30 EIEDHN CCO[C@@H]1C[C@@H](/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])C12CCC2 ZINC000741465636 1058223543 /nfs/dbraw/zinc/22/35/43/1058223543.db2.gz WOVATQJIPZISAL-OVYLHQNISA-N 0 3 330.472 4.005 20 30 EIEDHN CCN(CC)c1ccc(C=[NH+]Cc2nc3cc(C)ccc3[nH]2)c([O-])c1 ZINC000745976592 1059944344 /nfs/dbraw/zinc/94/43/44/1059944344.db2.gz KQIHVDYLOIQYNG-MTJSOVHGSA-N 0 3 336.439 4.042 20 30 EIEDHN CCN(CC)c1ccc(C=[NH+]Cc2nc3ccc(C)cc3[nH]2)c([O-])c1 ZINC000745976592 1059944367 /nfs/dbraw/zinc/94/43/67/1059944367.db2.gz KQIHVDYLOIQYNG-MTJSOVHGSA-N 0 3 336.439 4.042 20 30 EIEDHN C=C(C)[C@H](NCCN(C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001169471834 1060833749 /nfs/dbraw/zinc/83/37/49/1060833749.db2.gz CXHCAKQQIQFALP-FQEVSTJZSA-N 0 3 330.422 4.304 20 30 EIEDHN COc1cccc([C@@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000245501014 1032275457 /nfs/dbraw/zinc/27/54/57/1032275457.db2.gz BOKMYOZJDUHMFH-KKSFZXQISA-N 0 3 336.435 4.323 20 30 EIEDHN COc1cc(CN2C3CCC2CC3)ccc1OCc1cccc(C#N)c1 ZINC000532915589 1032386197 /nfs/dbraw/zinc/38/61/97/1032386197.db2.gz BHJBISUITMXPCG-UHFFFAOYSA-N 0 3 348.446 4.273 20 30 EIEDHN Cc1oc2ccccc2c1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000529681737 1032530594 /nfs/dbraw/zinc/53/05/94/1032530594.db2.gz XRFAIPSIVMYZGE-UHFFFAOYSA-N 0 3 346.430 4.408 20 30 EIEDHN CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)C(C)C ZINC000533256569 1032569407 /nfs/dbraw/zinc/56/94/07/1032569407.db2.gz SDRYIXQZKZJBOC-JKSUJKDBSA-N 0 3 347.528 4.243 20 30 EIEDHN CC[C@@H](C)CN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000533287320 1032596330 /nfs/dbraw/zinc/59/63/30/1032596330.db2.gz XOEQIXXNWIRSOS-CQSZACIVSA-N 0 3 344.503 4.008 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@H](C)c2ccccc2)c1 ZINC000160158606 1018739043 /nfs/dbraw/zinc/73/90/43/1018739043.db2.gz WWXMALDVEUMZMH-QFBILLFUSA-N 0 3 334.419 4.226 20 30 EIEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccccc1C ZINC000728914728 1032822520 /nfs/dbraw/zinc/82/25/20/1032822520.db2.gz VOQKXOYYUDBUTK-OAHLLOKOSA-N 0 3 349.459 4.308 20 30 EIEDHN CC(C)N(CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC1CC1 ZINC000533495109 1019909592 /nfs/dbraw/zinc/90/95/92/1019909592.db2.gz UIIOBDSYENVWRM-OAHLLOKOSA-N 0 3 345.512 4.140 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(Br)cc1 ZINC000165246521 1019997417 /nfs/dbraw/zinc/99/74/17/1019997417.db2.gz SYLQCVUAPTYCHN-ZDUSSCGKSA-N 0 3 329.241 4.480 20 30 EIEDHN C[C@@H](NCc1cc(C#N)cs1)[C@H](O)c1c(Cl)cccc1Cl ZINC000748099562 1020342291 /nfs/dbraw/zinc/34/22/91/1020342291.db2.gz ZAVGQMMMDOYYHK-PSLIRLAXSA-N 0 3 341.263 4.138 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN(CCC(F)(F)F)CC2CC2)cc1 ZINC000091901564 1032904042 /nfs/dbraw/zinc/90/40/42/1032904042.db2.gz KPQILHSDMHEKPB-CYBMUJFWSA-N 0 3 326.362 4.142 20 30 EIEDHN COCCN(CC#Cc1ccccc1Cl)CCCc1ccccc1 ZINC001167270160 1020743303 /nfs/dbraw/zinc/74/33/03/1020743303.db2.gz DMXRXRFEJGFQKA-UHFFFAOYSA-N 0 3 341.882 4.273 20 30 EIEDHN CC(C)(C)c1ccccc1NC(=O)CN[C@H]1CCC(=O)NC12CCC2 ZINC000328680283 1021177198 /nfs/dbraw/zinc/17/71/98/1021177198.db2.gz BXOJYPPUDHBNJN-INIZCTEOSA-N 0 3 343.471 4.203 20 30 EIEDHN N#Cc1ccc(CN(Cc2c[nH]nc2-c2ccccc2)C2CC2)cc1 ZINC000180028972 1021374831 /nfs/dbraw/zinc/37/48/31/1021374831.db2.gz LTNSFHCLMBPALK-UHFFFAOYSA-N 0 3 328.419 4.113 20 30 EIEDHN C[C@@H](NCc1cc(C#N)cs1)c1cccc(OCc2ccccn2)c1 ZINC000177687322 1021431736 /nfs/dbraw/zinc/43/17/36/1021431736.db2.gz SECZYNHWCHUACY-OAHLLOKOSA-N 0 3 349.459 4.445 20 30 EIEDHN C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCCC[C@@H]12 ZINC000610367484 1021543103 /nfs/dbraw/zinc/54/31/03/1021543103.db2.gz JORDGSQCKKTUAO-FHLIZLRMSA-N 0 3 336.439 4.009 20 30 EIEDHN N#CCSc1ccccc1NC(=O)CN(C1CC1)C1CCCCC1 ZINC000610389871 1021714108 /nfs/dbraw/zinc/71/41/08/1021714108.db2.gz KBPYIZUHJWQJJD-UHFFFAOYSA-N 0 3 343.496 4.038 20 30 EIEDHN C[C@@H](NCCSCc1ccccc1C#N)c1cccnc1Cl ZINC000177821678 1021720257 /nfs/dbraw/zinc/72/02/57/1021720257.db2.gz MFTIDUMJQHUUHP-CYBMUJFWSA-N 0 3 331.872 4.191 20 30 EIEDHN Cc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccc1Br ZINC000414144608 1021946818 /nfs/dbraw/zinc/94/68/18/1021946818.db2.gz NBISCLMXEFYZCV-SFHVURJKSA-N 0 3 341.252 4.406 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)Nc2nc3ccccc3s2)n1 ZINC000155756808 1022080110 /nfs/dbraw/zinc/08/01/10/1022080110.db2.gz DRMDVBNHCACMOV-JTQLQIEISA-N 0 3 342.449 4.122 20 30 EIEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000472562680 1022258645 /nfs/dbraw/zinc/25/86/45/1022258645.db2.gz IWMAXBNOTAQASZ-QFBILLFUSA-N 0 3 327.472 4.081 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3ccncc3c2)s1 ZINC000651352657 1022660079 /nfs/dbraw/zinc/66/00/79/1022660079.db2.gz FBRUVHYWRWUYJE-OAHLLOKOSA-N 0 3 335.432 4.479 20 30 EIEDHN Cc1ccc(Br)cc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000190157102 1022847842 /nfs/dbraw/zinc/84/78/42/1022847842.db2.gz XKUNJHFWYVHMFT-ZDUSSCGKSA-N 0 3 329.241 4.480 20 30 EIEDHN FC(F)(F)[C@@H]1CN(CC2CCC(F)(F)CC2)C[C@H]1C(F)(F)F ZINC000656453379 1022921560 /nfs/dbraw/zinc/92/15/60/1022921560.db2.gz WRRIVELTXQMPDR-NXEZZACHSA-N 0 3 339.270 4.485 20 30 EIEDHN FC(F)(F)[C@H]1CN(CC2CCC(F)(F)CC2)C[C@@H]1C(F)(F)F ZINC000656453381 1022923349 /nfs/dbraw/zinc/92/33/49/1022923349.db2.gz WRRIVELTXQMPDR-UWVGGRQHSA-N 0 3 339.270 4.485 20 30 EIEDHN N#CCOc1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000177855624 1023039131 /nfs/dbraw/zinc/03/91/31/1023039131.db2.gz VXSDLROXKNWDJQ-KRWDZBQOSA-N 0 3 328.412 4.055 20 30 EIEDHN C[C@H](Nc1nc2cccc(Br)c2[nH]1)c1cccc(C#N)c1 ZINC001167710352 1023109353 /nfs/dbraw/zinc/10/93/53/1023109353.db2.gz KRAXKTRNRUSRTF-JTQLQIEISA-N 0 3 341.212 4.370 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1cccc(C#N)c1 ZINC000181434879 1023117801 /nfs/dbraw/zinc/11/78/01/1023117801.db2.gz BGRDMAGCARHOKN-LSDHHAIUSA-N 0 3 333.435 4.319 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3ncccc3c2)s1 ZINC000430590688 1023133413 /nfs/dbraw/zinc/13/34/13/1023133413.db2.gz IENOOQNERSAYAM-CQSZACIVSA-N 0 3 335.432 4.479 20 30 EIEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](CO)c3ccccc32)cc1Cl ZINC000376956939 1023340973 /nfs/dbraw/zinc/34/09/73/1023340973.db2.gz HYFOUEICDGZLMB-HNAYVOBHSA-N 0 3 343.854 4.215 20 30 EIEDHN C[C@H]1CCC[C@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000341226005 1023400157 /nfs/dbraw/zinc/40/01/57/1023400157.db2.gz VERWFQBAFFFUCE-RDJZCZTQSA-N 0 3 347.890 4.097 20 30 EIEDHN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000276417341 1023480054 /nfs/dbraw/zinc/48/00/54/1023480054.db2.gz NGPWERHEOJFXDS-INIZCTEOSA-N 0 3 341.499 4.310 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(OCC(F)F)cc1 ZINC000418148952 1023566483 /nfs/dbraw/zinc/56/64/83/1023566483.db2.gz UOYWMFHQPLTCJL-LJQANCHMSA-N 0 3 342.389 4.369 20 30 EIEDHN CC(C)CC[C@@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000472827199 1023670272 /nfs/dbraw/zinc/67/02/72/1023670272.db2.gz RFTOLCRUWNGXEF-SFHVURJKSA-N 0 3 338.455 4.399 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178176339 1023779679 /nfs/dbraw/zinc/77/96/79/1023779679.db2.gz MOFNZWNQVOLWKN-CABCVRRESA-N 0 3 348.450 4.254 20 30 EIEDHN COCc1ccccc1/C=C(\C)CNC1(c2cccc(C#N)c2)CC1 ZINC000511725387 1023839303 /nfs/dbraw/zinc/83/93/03/1023839303.db2.gz AOBDLVVYAHFMBC-SFQUDFHCSA-N 0 3 332.447 4.387 20 30 EIEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167492417 1023955849 /nfs/dbraw/zinc/95/58/49/1023955849.db2.gz SCPPITOWLHDZOG-LEWJYISDSA-N 0 3 347.462 4.073 20 30 EIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000661115355 1024240890 /nfs/dbraw/zinc/24/08/90/1024240890.db2.gz BROWWAQFGHYQHH-WFASDCNBSA-N 0 3 331.847 4.213 20 30 EIEDHN C=C[C@@H](CC(=O)N1CCN(C2CCC(C)CC2)CC1)c1ccccc1 ZINC001126143351 1024487966 /nfs/dbraw/zinc/48/79/66/1024487966.db2.gz UTJFVBIPIHPCQF-SCCNAQOGSA-N 0 3 340.511 4.069 20 30 EIEDHN CCOc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341759802 1024625684 /nfs/dbraw/zinc/62/56/84/1024625684.db2.gz IDRVXHHCLLJFHB-LJQANCHMSA-N 0 3 336.435 4.133 20 30 EIEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc2ccc(Br)cc2o1 ZINC000662091434 1024861219 /nfs/dbraw/zinc/86/12/19/1024861219.db2.gz XVKWUJQWMOPYAH-BETUJISGSA-N 0 3 333.229 4.273 20 30 EIEDHN CCCN(CCCCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000096980625 1025158593 /nfs/dbraw/zinc/15/85/93/1025158593.db2.gz YRVWOJBOJZPAGB-UHFFFAOYSA-N 0 3 332.835 4.296 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C)oc2C)cc1 ZINC000128586049 1025209737 /nfs/dbraw/zinc/20/97/37/1025209737.db2.gz CRZOIVUHHKTASJ-GOSISDBHSA-N 0 3 338.407 4.200 20 30 EIEDHN CCc1cccc2c(C3CCN(Cc4ccnc(C#N)c4)CC3)c[nH]c21 ZINC000610991267 1025220661 /nfs/dbraw/zinc/22/06/61/1025220661.db2.gz BXPXCAIFNCLWLZ-UHFFFAOYSA-N 0 3 344.462 4.377 20 30 EIEDHN COc1ccc(CN2CC[C@H](CSc3ccccc3)C2)cc1C#N ZINC000610993795 1025230268 /nfs/dbraw/zinc/23/02/68/1025230268.db2.gz ISMYLLITJDLNEP-KRWDZBQOSA-N 0 3 338.476 4.181 20 30 EIEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Cl)cccc1OC(F)F ZINC000684767925 1026225438 /nfs/dbraw/zinc/22/54/38/1026225438.db2.gz VAEWXXLOPDXTLV-IAQYHMDHSA-N 0 3 331.790 4.012 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2c(s1)CCCCC2 ZINC000122243097 1026424134 /nfs/dbraw/zinc/42/41/34/1026424134.db2.gz JKFCWDXZKHXFCC-AWEZNQCLSA-N 0 3 349.459 4.394 20 30 EIEDHN COc1ccc(OC)c(CN(Cc2cccc(C#N)c2)C(C)(C)C)c1 ZINC000507251385 1026717776 /nfs/dbraw/zinc/71/77/76/1026717776.db2.gz HGXORYCEHMEGST-UHFFFAOYSA-N 0 3 338.451 4.376 20 30 EIEDHN N#CC(C(=O)CCSc1ccccc1F)c1nc2ccccc2[nH]1 ZINC000048790240 1026848572 /nfs/dbraw/zinc/84/85/72/1026848572.db2.gz OAHAYGLRPRPURM-LBPRGKRZSA-N 0 3 339.395 4.061 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000178643403 1027059735 /nfs/dbraw/zinc/05/97/35/1027059735.db2.gz VXOAILSOWRSKJB-CVEARBPZSA-N 0 3 333.435 4.097 20 30 EIEDHN COc1ccc2cc(CNCc3ccc(O[C@@H](C)C#N)cc3)ccc2c1 ZINC000237284868 1027433281 /nfs/dbraw/zinc/43/32/81/1027433281.db2.gz YCNYFNBSJNJSOW-INIZCTEOSA-N 0 3 346.430 4.429 20 30 EIEDHN N#CC1CCC(CNCc2c(F)cccc2Br)CC1 ZINC000441330263 1027464150 /nfs/dbraw/zinc/46/41/50/1027464150.db2.gz FNFIOKIEOWLURP-UHFFFAOYSA-N 0 3 325.225 4.008 20 30 EIEDHN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000329199008 1027638676 /nfs/dbraw/zinc/63/86/76/1027638676.db2.gz ASWWCONHBPGDTB-ROUUACIJSA-N 0 3 343.471 4.069 20 30 EIEDHN Cc1ccc([C@@H](CNC(=O)C[C@@H]2CCCC[C@H]2O)N2CCCC2)cc1 ZINC000329224287 1027656560 /nfs/dbraw/zinc/65/65/60/1027656560.db2.gz ZKOVWUYYIOBLSU-XUVXKRRUSA-N 0 3 344.499 4.030 20 30 EIEDHN N#CCCCOc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000237825511 1027683650 /nfs/dbraw/zinc/68/36/50/1027683650.db2.gz DVSDOPCOIQFDJM-HXUWFJFHSA-N 0 3 336.435 4.373 20 30 EIEDHN C=CCc1cc(CNCc2ccc(C)c(F)c2)cc(OC)c1OC ZINC000237309736 1027685936 /nfs/dbraw/zinc/68/59/36/1027685936.db2.gz AOQWFCXLIUVEDM-UHFFFAOYSA-N 0 3 329.415 4.170 20 30 EIEDHN C[C@@H]1CCC[C@H](NC(=O)CN[C@H](c2ccccc2)[C@@H]2CCOC2)[C@@H]1C ZINC000329379807 1027758258 /nfs/dbraw/zinc/75/82/58/1027758258.db2.gz NCSDMNKWRUGTDZ-HGNHLGAKSA-N 0 3 344.499 4.135 20 30 EIEDHN CC(C)CN(Cc1cccc(OCCCC#N)c1)Cc1ccccn1 ZINC000896664725 1027777642 /nfs/dbraw/zinc/77/76/42/1027777642.db2.gz KQNPHMXWQNMPTE-UHFFFAOYSA-N 0 3 337.467 4.422 20 30 EIEDHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328683453 1027795655 /nfs/dbraw/zinc/79/56/55/1027795655.db2.gz DLKHHQVLKNOFLL-SWLSCSKDSA-N 0 3 349.862 4.256 20 30 EIEDHN C=CCN(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000428368483 1027860242 /nfs/dbraw/zinc/86/02/42/1027860242.db2.gz DNJJXVMCHGHBJT-UHFFFAOYSA-N 0 3 348.406 4.065 20 30 EIEDHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCCC2(CCCCC2)CC1 ZINC000329961724 1028169177 /nfs/dbraw/zinc/16/91/77/1028169177.db2.gz RTHCDZGRQAMZNE-QGZVFWFLSA-N 0 3 346.519 4.450 20 30 EIEDHN C=CCCCCCN(C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000523551722 1028207512 /nfs/dbraw/zinc/20/75/12/1028207512.db2.gz CGTJPIZXOJDPGP-UHFFFAOYSA-N 0 3 328.909 4.038 20 30 EIEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000330272828 1028244489 /nfs/dbraw/zinc/24/44/89/1028244489.db2.gz YFHYITSCTMRXQF-DYQSUWPFSA-N 0 3 343.254 4.127 20 30 EIEDHN C=CCOc1cccc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)c1 ZINC000657742421 1028255373 /nfs/dbraw/zinc/25/53/73/1028255373.db2.gz RCLOJAMXBXSXKN-NHCUHLMSSA-N 0 3 325.452 4.099 20 30 EIEDHN CC[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(C#N)cc1 ZINC000572945573 1028451495 /nfs/dbraw/zinc/45/14/95/1028451495.db2.gz HWEVPYOCLVROHS-MRXNPFEDSA-N 0 3 349.356 4.135 20 30 EIEDHN CC[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000278347236 1028954198 /nfs/dbraw/zinc/95/41/98/1028954198.db2.gz YLKQXHMZEBCGEF-HRAATJIYSA-N 0 3 347.462 4.487 20 30 EIEDHN CC(C)[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1OC(F)F ZINC000445884824 1028973130 /nfs/dbraw/zinc/97/31/30/1028973130.db2.gz IVZAVHOQAROLBY-LBPRGKRZSA-N 0 3 336.304 4.226 20 30 EIEDHN C=CCCCCCN(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524801806 1029230360 /nfs/dbraw/zinc/23/03/60/1029230360.db2.gz NEFSHNQSXAHQDE-HXUWFJFHSA-N 0 3 343.515 4.039 20 30 EIEDHN COc1ccc(CN2CCC(F)(C3CC3)CC2)cc1OCCCC#N ZINC000896946852 1029232669 /nfs/dbraw/zinc/23/26/69/1029232669.db2.gz NIAJTZOMPUGXQO-UHFFFAOYSA-N 0 3 346.446 4.092 20 30 EIEDHN C=CCCN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000524811156 1029234858 /nfs/dbraw/zinc/23/48/58/1029234858.db2.gz BQDAGSOFJFVZET-LJQANCHMSA-N 0 3 329.465 4.289 20 30 EIEDHN CCOc1c(Cl)cc(CNCc2ccc(CC#N)cc2)cc1OC ZINC000583871735 1029308431 /nfs/dbraw/zinc/30/84/31/1029308431.db2.gz ZCPCUXHSPDUOKW-UHFFFAOYSA-N 0 3 344.842 4.103 20 30 EIEDHN CC[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000278652008 1029648226 /nfs/dbraw/zinc/64/82/26/1029648226.db2.gz ICQOMYCJAIWQBL-FAHJTYSBSA-N 0 3 326.465 4.098 20 30 EIEDHN CC(C)Cc1ccc(C(=O)C2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000278685947 1029688911 /nfs/dbraw/zinc/68/89/11/1029688911.db2.gz RZMXMHYLXRBNJO-RXVVDRJESA-N 0 3 338.495 4.472 20 30 EIEDHN N#CC(C(=O)CCCOc1cccc(Cl)c1Cl)c1ccccn1 ZINC000065650486 1029716152 /nfs/dbraw/zinc/71/61/52/1029716152.db2.gz CQTHVBRWTVRANO-LBPRGKRZSA-N 0 3 349.217 4.424 20 30 EIEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000447392829 1030057780 /nfs/dbraw/zinc/05/77/80/1030057780.db2.gz CNAAOFJJQRBUNS-ZDUSSCGKSA-N 0 3 333.863 4.051 20 30 EIEDHN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N ZINC000450958353 1030134470 /nfs/dbraw/zinc/13/44/70/1030134470.db2.gz MYYGVAFEHCPPSO-FHWLQOOXSA-N 0 3 332.875 4.117 20 30 EIEDHN COc1ccc(C#N)cc1CN1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451148569 1030274274 /nfs/dbraw/zinc/27/42/74/1030274274.db2.gz QQHYYVLATTXBRA-OUCADQQQSA-N 0 3 326.362 4.118 20 30 EIEDHN COc1ccc(OC2CCN([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000527190798 1030547591 /nfs/dbraw/zinc/54/75/91/1030547591.db2.gz LWPDQLFDHFEXDI-INIZCTEOSA-N 0 3 336.435 4.171 20 30 EIEDHN C[C@H]1C[C@H](c2cccnc2)N(Cc2cccc(OCCCC#N)c2)C1 ZINC000190961057 1030591151 /nfs/dbraw/zinc/59/11/51/1030591151.db2.gz VDHRCZCWBKYVAQ-LAUBAEHRSA-N 0 3 335.451 4.347 20 30 EIEDHN C=CCc1cc(CN[C@@H]2CCCc3c(O)cccc32)cc(OC)c1O ZINC000191656435 1030632761 /nfs/dbraw/zinc/63/27/61/1030632761.db2.gz LIQUURIBVXJDRY-GOSISDBHSA-N 0 3 339.435 4.002 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c(Oc3ccncc3)c2)n1 ZINC000115901051 1030731806 /nfs/dbraw/zinc/73/18/06/1030731806.db2.gz GUGWUAWMVGWJEW-INIZCTEOSA-N 0 3 349.415 4.437 20 30 EIEDHN N#CC1(CCCN2CCC[C@@H]2c2ccc(F)cc2F)CCOCC1 ZINC000451977021 1030815467 /nfs/dbraw/zinc/81/54/67/1030815467.db2.gz ZOKMMQKCXZKRQP-GOSISDBHSA-N 0 3 334.410 4.202 20 30 EIEDHN C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)NCC(C)(C)C#N ZINC000310043390 1030993298 /nfs/dbraw/zinc/99/32/98/1030993298.db2.gz GAKITVGDYHXVHE-HOTGVXAUSA-N 0 3 337.508 4.084 20 30 EIEDHN Cn1cc(CN[C@H]2CCCc3nc(-c4ccccc4)sc32)cc1C#N ZINC000365092165 1031499053 /nfs/dbraw/zinc/49/90/53/1031499053.db2.gz WBGWDLLGCWWKIA-KRWDZBQOSA-N 0 3 348.475 4.187 20 30 EIEDHN CC1(C#N)CCC(NCc2csc(CCc3ccccc3)n2)CC1 ZINC000449221233 1031552835 /nfs/dbraw/zinc/55/28/35/1031552835.db2.gz JXHGLGXWOMIDQN-UHFFFAOYSA-N 0 3 339.508 4.490 20 30 EIEDHN N#CC(C(=O)c1ccc2c(c1)CCC2)c1nc(-c2ccncc2)cs1 ZINC000128832429 1031761663 /nfs/dbraw/zinc/76/16/63/1031761663.db2.gz AGMNKICADMTGBZ-QGZVFWFLSA-N 0 3 345.427 4.184 20 30 EIEDHN COCC[C@@H](NCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000449553675 1031841325 /nfs/dbraw/zinc/84/13/25/1031841325.db2.gz MLTDQHYEWMAMRU-GOSISDBHSA-N 0 3 348.368 4.444 20 30 EIEDHN Cc1nc(C(C)C)ccc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528784699 1031850477 /nfs/dbraw/zinc/85/04/77/1031850477.db2.gz PEAUCLWNKBTTID-UHFFFAOYSA-N 0 3 349.478 4.181 20 30 EIEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc2cc(Br)ccc2o1 ZINC000453322879 1031850624 /nfs/dbraw/zinc/85/06/24/1031850624.db2.gz ACXUTRAUUWGBQB-HONMWMINSA-N 0 3 336.229 4.189 20 30 EIEDHN CC1(C)C[C@H](C(=O)C(C#N)c2nc3ccccc3s2)C(C)(C)O1 ZINC000528915838 1031939403 /nfs/dbraw/zinc/93/94/03/1031939403.db2.gz UXTOMCNIPGVXAI-VXGBXAGGSA-N 0 3 328.437 4.066 20 30 EIEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000528924541 1031951011 /nfs/dbraw/zinc/95/10/11/1031951011.db2.gz OHXSSHLKHGYEEY-FJSXFWSSSA-N 0 3 348.855 4.185 20 30 EIEDHN CN(CCOc1ccccc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000573537562 1033382785 /nfs/dbraw/zinc/38/27/85/1033382785.db2.gz RXCUDTOILISFNX-UHFFFAOYSA-N 0 3 334.341 4.088 20 30 EIEDHN C[C@@H](NCC1(c2ccc(F)cc2F)CC1)c1ccc(C#N)cc1F ZINC000512635456 1033569822 /nfs/dbraw/zinc/56/98/22/1033569822.db2.gz HGSAQNPATAMCSG-GFCCVEGCSA-N 0 3 330.353 4.358 20 30 EIEDHN CCc1cccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433013164 1033640045 /nfs/dbraw/zinc/64/00/45/1033640045.db2.gz NNJDRZAQIKQANS-HXUWFJFHSA-N 0 3 335.451 4.212 20 30 EIEDHN C[C@H](NC[C@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1F ZINC000512666372 1033660500 /nfs/dbraw/zinc/66/05/00/1033660500.db2.gz KFCLFVRTQPUUEI-KBXCAEBGSA-N 0 3 343.471 4.247 20 30 EIEDHN C[C@H](N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C#N)cc1F ZINC000512668817 1033669826 /nfs/dbraw/zinc/66/98/26/1033669826.db2.gz WSNQPROODFORMS-WMLDXEAASA-N 0 3 341.405 4.156 20 30 EIEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419334064 1034325087 /nfs/dbraw/zinc/32/50/87/1034325087.db2.gz UYWJHSQQBDSWNB-DLBZAZTESA-N 0 3 338.455 4.255 20 30 EIEDHN CC1(N(Cc2ccc(C#N)o2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000513457063 1034957564 /nfs/dbraw/zinc/95/75/64/1034957564.db2.gz UJXHXGGGDPPKIF-UHFFFAOYSA-N 0 3 338.407 4.215 20 30 EIEDHN CC(C)(C)c1nn(Cc2ccccc2)cc1CNCC1(CC#N)CC1 ZINC000430017878 1035010595 /nfs/dbraw/zinc/01/05/95/1035010595.db2.gz JTEZAGDWKCVAGF-UHFFFAOYSA-N 0 3 336.483 4.012 20 30 EIEDHN C=CCC[C@@H](N[C@@H]1CCN(c2ccccc2OC)C1)c1ccco1 ZINC000513707792 1035391984 /nfs/dbraw/zinc/39/19/84/1035391984.db2.gz IXXJDPWZFUIICH-IAGOWNOFSA-N 0 3 326.440 4.164 20 30 EIEDHN N#Cc1cccc(C2(NCc3ccc(F)c(Cl)c3)CCOCC2)c1 ZINC000594983237 1035515115 /nfs/dbraw/zinc/51/51/15/1035515115.db2.gz IXCRYHHXMPKNPT-UHFFFAOYSA-N 0 3 344.817 4.146 20 30 EIEDHN C=CCc1cc(CNC(C)(C)c2cccc(C)c2)cc(OC)c1O ZINC000237099750 1035633876 /nfs/dbraw/zinc/63/38/76/1035633876.db2.gz LCIGOMUZQSWFHI-UHFFFAOYSA-N 0 3 325.452 4.463 20 30 EIEDHN N#Cc1ccc(CCN2CCCC[C@H]2c2nc3ccccc3o2)cc1 ZINC000595384717 1035668943 /nfs/dbraw/zinc/66/89/43/1035668943.db2.gz OXNMCJIGXNLGPO-IBGZPJMESA-N 0 3 331.419 4.469 20 30 EIEDHN CC(C)(NCc1ccc(C#N)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000595631981 1035740288 /nfs/dbraw/zinc/74/02/88/1035740288.db2.gz ALDVZYUTGDMUQO-UHFFFAOYSA-N 0 3 343.352 4.474 20 30 EIEDHN N#Cc1ccc(CN(CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000060208225 1035898380 /nfs/dbraw/zinc/89/83/80/1035898380.db2.gz OSVBPMBUTAFVIL-UHFFFAOYSA-N 0 3 345.421 4.337 20 30 EIEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1N1CCCC1 ZINC000596980508 1036061515 /nfs/dbraw/zinc/06/15/15/1036061515.db2.gz PMTJUMFLCWKGHA-UHFFFAOYSA-N 0 3 345.490 4.474 20 30 EIEDHN C=CCOc1ccccc1CN1CCC(c2ccnn2CCC)CC1 ZINC000502307765 1036085265 /nfs/dbraw/zinc/08/52/65/1036085265.db2.gz FYTFPQUMYPLANE-UHFFFAOYSA-N 0 3 339.483 4.238 20 30 EIEDHN N#CC[C@H]1CCCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000597173168 1036140115 /nfs/dbraw/zinc/14/01/15/1036140115.db2.gz GQDPZDJYJYUGNE-CQSZACIVSA-N 0 3 348.372 4.017 20 30 EIEDHN CCOc1cc(CNC(C)(C)c2cccc(C#N)c2)cc(Cl)c1O ZINC000597185556 1036153230 /nfs/dbraw/zinc/15/32/30/1036153230.db2.gz XOGKOFUGBRQERP-UHFFFAOYSA-N 0 3 344.842 4.341 20 30 EIEDHN N#CCCC[C@@H](N[C@H](c1nc[nH]n1)C1CCCCC1)c1ccccc1 ZINC000602672767 1036553033 /nfs/dbraw/zinc/55/30/33/1036553033.db2.gz ZTKWFLTZRISDRN-MOPGFXCFSA-N 0 3 337.471 4.451 20 30 EIEDHN N#CCCC[C@@H]([NH2+][C@H](c1nnc[n-]1)C1CCCCC1)c1ccccc1 ZINC000602672767 1036553061 /nfs/dbraw/zinc/55/30/61/1036553061.db2.gz ZTKWFLTZRISDRN-MOPGFXCFSA-N 0 3 337.471 4.451 20 30 EIEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cc(Cl)cc(Cl)c1 ZINC000602704861 1036582889 /nfs/dbraw/zinc/58/28/89/1036582889.db2.gz HDZQMNWUTMHONP-LBPRGKRZSA-N 0 3 327.255 4.182 20 30 EIEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1Br ZINC000035018990 1036648331 /nfs/dbraw/zinc/64/83/31/1036648331.db2.gz JWOBJAOLXKCEMV-GFCCVEGCSA-N 0 3 345.240 4.180 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000598615993 1036715546 /nfs/dbraw/zinc/71/55/46/1036715546.db2.gz IQHWXGRMOIIRGP-BLLLJJGKSA-N 0 3 341.282 4.335 20 30 EIEDHN N#Cc1cccc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)c1 ZINC000060970836 1036717064 /nfs/dbraw/zinc/71/70/64/1036717064.db2.gz IPOKUHIOCUKSAS-UHFFFAOYSA-N 0 3 340.426 4.450 20 30 EIEDHN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cc(N2CCCC2)n1 ZINC000589344412 1036740870 /nfs/dbraw/zinc/74/08/70/1036740870.db2.gz KTHMAJQIYBGSHC-NRFANRHFSA-N 0 3 346.478 4.029 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000598721100 1036759817 /nfs/dbraw/zinc/75/98/17/1036759817.db2.gz SFIZAGDQOMKGIO-SJORKVTESA-N 0 3 348.899 4.381 20 30 EIEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000599091047 1036875383 /nfs/dbraw/zinc/87/53/83/1036875383.db2.gz NSGHSQYWQDAWSD-RLCCDNCMSA-N 0 3 327.255 4.089 20 30 EIEDHN COc1ccc([C@H](N[C@H]2CCCc3cc(C#N)ccc32)C2CC2)cn1 ZINC000599095989 1036876627 /nfs/dbraw/zinc/87/66/27/1036876627.db2.gz JZQKMPBWFGDHKO-PZJWPPBQSA-N 0 3 333.435 4.080 20 30 EIEDHN Cc1ccc(CN2CCC(OCc3ccc(F)cc3)CC2)cc1C#N ZINC000599343072 1036957968 /nfs/dbraw/zinc/95/79/68/1036957968.db2.gz WTOOGXVLSCGCEK-UHFFFAOYSA-N 0 3 338.426 4.187 20 30 EIEDHN CN(C)Cc1ccc(-c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)cc1 ZINC000271920707 1037056871 /nfs/dbraw/zinc/05/68/71/1037056871.db2.gz DRVYZMMGPFKODV-UHFFFAOYSA-N 0 3 344.418 4.020 20 30 EIEDHN CC(C)(C#N)CCN(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000272071026 1037091914 /nfs/dbraw/zinc/09/19/14/1037091914.db2.gz YYNHUOHBTILRTK-SFHVURJKSA-N 0 3 328.481 4.224 20 30 EIEDHN C=CCC1(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCCC1 ZINC000599610781 1037097959 /nfs/dbraw/zinc/09/79/59/1037097959.db2.gz UANYRALVAJDVDH-UHFFFAOYSA-N 0 3 342.399 4.013 20 30 EIEDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cc(C)ccc1C ZINC000599640592 1037105636 /nfs/dbraw/zinc/10/56/36/1037105636.db2.gz KHUQYXLRJFQDJU-LPHOPBHVSA-N 0 3 335.451 4.243 20 30 EIEDHN Cc1nc(-c2cc3c(s2)CCN(C[C@H](C)CCC#N)C3)cs1 ZINC000590595587 1037114562 /nfs/dbraw/zinc/11/45/62/1037114562.db2.gz QQJJJDJIFRMUKB-GFCCVEGCSA-N 0 3 331.510 4.478 20 30 EIEDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000604046890 1037163952 /nfs/dbraw/zinc/16/39/52/1037163952.db2.gz CNWNHJHRNYQJIR-KGLIPLIRSA-N 0 3 341.842 4.198 20 30 EIEDHN N#Cc1cccc(CNCc2cc3cc(Br)ccc3[nH]2)c1 ZINC000183826428 1037350124 /nfs/dbraw/zinc/35/01/24/1037350124.db2.gz CGBLEHXJAUATDN-UHFFFAOYSA-N 0 3 340.224 4.092 20 30 EIEDHN Cc1cc(Br)cc(C)c1CNCc1ccc(C#N)cc1 ZINC000604502653 1037413406 /nfs/dbraw/zinc/41/34/06/1037413406.db2.gz BXLQNNPGPORWAU-UHFFFAOYSA-N 0 3 329.241 4.227 20 30 EIEDHN CC(C)[C@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000488571547 1037669769 /nfs/dbraw/zinc/66/97/69/1037669769.db2.gz GDCRHFIQUQVENF-HZPDHXFCSA-N 0 3 327.415 4.177 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(N2CCc3ccccc32)CC1 ZINC000503379319 1037728686 /nfs/dbraw/zinc/72/86/86/1037728686.db2.gz VJBFSFFMTPCYSL-QGZVFWFLSA-N 0 3 331.463 4.146 20 30 EIEDHN COc1cc(CNC2(c3cccc(Cl)c3)CCC2)ccc1C#N ZINC000592377601 1037791833 /nfs/dbraw/zinc/79/18/33/1037791833.db2.gz XIXKGHJBVXNZET-UHFFFAOYSA-N 0 3 326.827 4.389 20 30 EIEDHN COc1ccccc1C[C@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000058525517 1037833121 /nfs/dbraw/zinc/83/31/21/1037833121.db2.gz BBKSPTALTZOYEQ-LJQANCHMSA-N 0 3 345.446 4.027 20 30 EIEDHN N#CC(C(=O)c1cccc2c1CCC2)c1nc2cc(F)ccc2s1 ZINC000592974192 1037885208 /nfs/dbraw/zinc/88/52/08/1037885208.db2.gz OVJFYTXNZJPASY-HNNXBMFYSA-N 0 3 336.391 4.414 20 30 EIEDHN C=C(C)[C@@H](N[C@H](C)c1ccc(CN)nc1C)c1ccc(F)c(F)c1 ZINC000423051475 1037939022 /nfs/dbraw/zinc/93/90/22/1037939022.db2.gz NLWDOECAGIAEGD-BFUOFWGJSA-N 0 3 331.410 4.095 20 30 EIEDHN N#CCc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000574277181 1038049651 /nfs/dbraw/zinc/04/96/51/1038049651.db2.gz RZLARAKBBFHHNO-FQEVSTJZSA-N 0 3 335.407 4.218 20 30 EIEDHN CCc1cccc(CNCc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000593686114 1038124542 /nfs/dbraw/zinc/12/45/42/1038124542.db2.gz CYYLFZAOFFBFIT-UHFFFAOYSA-N 0 3 338.451 4.230 20 30 EIEDHN N#CC(C(=O)CC(c1ccccc1)c1ccccc1)c1ccccn1 ZINC000046439993 1038208171 /nfs/dbraw/zinc/20/81/71/1038208171.db2.gz OQIANAGTJVVABQ-HXUWFJFHSA-N 0 3 326.399 4.480 20 30 EIEDHN C=CCOc1ccc(CN[C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000574726699 1038320592 /nfs/dbraw/zinc/32/05/92/1038320592.db2.gz NYWXQKVKEJUUPF-HXUWFJFHSA-N 0 3 325.452 4.101 20 30 EIEDHN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594429658 1038331893 /nfs/dbraw/zinc/33/18/93/1038331893.db2.gz VJFRXINWVHENFP-RBUKOAKNSA-N 0 3 341.499 4.059 20 30 EIEDHN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594434225 1038334222 /nfs/dbraw/zinc/33/42/22/1038334222.db2.gz XWBZMKDIJDPWKV-LAUBAEHRSA-N 0 3 349.478 4.284 20 30 EIEDHN CCn1c2ccccc2c2cc(NC(=O)[C@H](N)CCCCC#N)ccc21 ZINC000594426230 1038340346 /nfs/dbraw/zinc/34/03/46/1038340346.db2.gz OAQULJJCSQNPLD-GOSISDBHSA-N 0 3 348.450 4.164 20 30 EIEDHN CC(C)(C#N)c1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000594496798 1038345459 /nfs/dbraw/zinc/34/54/59/1038345459.db2.gz WBVBSPHRCKYEOA-LEWJYISDSA-N 0 3 334.463 4.498 20 30 EIEDHN CCOc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000594500510 1038348894 /nfs/dbraw/zinc/34/88/94/1038348894.db2.gz WBFNTAQEUUBDRS-UHFFFAOYSA-N 0 3 326.415 4.315 20 30 EIEDHN CC[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(C(=O)OC)cc1 ZINC000594519197 1038361421 /nfs/dbraw/zinc/36/14/21/1038361421.db2.gz VGWHBYGTBHJOMZ-HXUWFJFHSA-N 0 3 348.446 4.465 20 30 EIEDHN COC(=O)CC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594922367 1038425833 /nfs/dbraw/zinc/42/58/33/1038425833.db2.gz SRTGWDBTZRWKEB-HXUWFJFHSA-N 0 3 348.446 4.026 20 30 EIEDHN Cc1cc(C)cc(Oc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)c1 ZINC000424100867 1038494432 /nfs/dbraw/zinc/49/44/32/1038494432.db2.gz LTYGLPMYAVNXLX-LJQANCHMSA-N 0 3 337.423 4.055 20 30 EIEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000424116827 1038603336 /nfs/dbraw/zinc/60/33/36/1038603336.db2.gz APKILHICJRJLPD-MSOLQXFVSA-N 0 3 347.890 4.099 20 30 EIEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000424293670 1038772576 /nfs/dbraw/zinc/77/25/76/1038772576.db2.gz JCHPICFYZKHAAZ-IGCXYCKISA-N 0 3 332.444 4.191 20 30 EIEDHN Cc1cccc2c(CCC(=O)C(C#N)c3nc4ccccc4o3)c[nH]c21 ZINC000174015606 1038818469 /nfs/dbraw/zinc/81/84/69/1038818469.db2.gz ZREXRSKJWWHYIA-INIZCTEOSA-N 0 3 343.386 4.427 20 30 EIEDHN COc1ccc([C@@H](C)NCC#Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000539229135 1038892666 /nfs/dbraw/zinc/89/26/66/1038892666.db2.gz FNIQUKILMGDWPP-CQSZACIVSA-N 0 3 349.352 4.296 20 30 EIEDHN CC(C)C[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000539297619 1038947950 /nfs/dbraw/zinc/94/79/50/1038947950.db2.gz LTZRZIAMCGLMPJ-MJGOQNOKSA-N 0 3 349.906 4.071 20 30 EIEDHN C=CCC[C@@H](NCC(=O)N[C@H](C)CC)c1ccc(C(F)(F)F)cc1 ZINC000539331349 1038978803 /nfs/dbraw/zinc/97/88/03/1038978803.db2.gz JBVUWTXEWPNPIW-CZUORRHYSA-N 0 3 342.405 4.217 20 30 EIEDHN C=CCC[C@@H](NCC(=O)NCC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000539333177 1038981783 /nfs/dbraw/zinc/98/17/83/1038981783.db2.gz WPAKMJXYHWXTPB-MRXNPFEDSA-N 0 3 342.405 4.075 20 30 EIEDHN C=CCCN[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000462186810 1038991918 /nfs/dbraw/zinc/99/19/18/1038991918.db2.gz ICQFEHRKRNGDLX-IBGZPJMESA-N 0 3 329.827 4.366 20 30 EIEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1cc(C#N)ccc1F ZINC000552271052 1039328352 /nfs/dbraw/zinc/32/83/52/1039328352.db2.gz PKGZEMXPUHLLRH-DZFGPLHGSA-N 0 3 338.426 4.138 20 30 EIEDHN CO[C@H](CNC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000514145885 1039656994 /nfs/dbraw/zinc/65/69/94/1039656994.db2.gz QKEYAIHESULOHK-GOSISDBHSA-N 0 3 326.827 4.178 20 30 EIEDHN C=C[C@@](C)(CC)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000482057491 1039986900 /nfs/dbraw/zinc/98/69/00/1039986900.db2.gz ZAJRCRREWBWHGB-NRFANRHFSA-N 0 3 343.515 4.066 20 30 EIEDHN N#CCCCN[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000479272931 1040242424 /nfs/dbraw/zinc/24/24/24/1040242424.db2.gz ACUUNVWMSGKVGV-QGZVFWFLSA-N 0 3 329.241 4.432 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000425366702 1040341784 /nfs/dbraw/zinc/34/17/84/1040341784.db2.gz QKVNIJDMECDJRU-HNNXBMFYSA-N 0 3 336.435 4.396 20 30 EIEDHN Cc1ccccc1NC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000160081327 1040343882 /nfs/dbraw/zinc/34/38/82/1040343882.db2.gz ZZUIDMWDVOMYRG-OAHLLOKOSA-N 0 3 333.416 4.364 20 30 EIEDHN CC[C@@H](C)N[C@@H](CNc1ncc(Cl)c(C)c1C#N)c1ccco1 ZINC000553603358 1040350611 /nfs/dbraw/zinc/35/06/11/1040350611.db2.gz BEXNOAMPCPZURX-ABAIWWIYSA-N 0 3 332.835 4.049 20 30 EIEDHN Cc1c(Br)cccc1CN(C)Cc1cccc(C#N)c1 ZINC000535581908 1040385516 /nfs/dbraw/zinc/38/55/16/1040385516.db2.gz BDDWDWJLNIYMOG-UHFFFAOYSA-N 0 3 329.241 4.261 20 30 EIEDHN C=CCc1cc(CN(C)Cc2ccc(OCC)cc2)cc(OC)c1O ZINC000505706158 1040459678 /nfs/dbraw/zinc/45/96/78/1040459678.db2.gz MTZKYRLQRARZBA-UHFFFAOYSA-N 0 3 341.451 4.160 20 30 EIEDHN C=CCCc1ccccc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000505038325 1040781738 /nfs/dbraw/zinc/78/17/38/1040781738.db2.gz ILWRPYKJCKEKBN-UHFFFAOYSA-N 0 3 337.467 4.059 20 30 EIEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(C#N)cc1C(F)(F)F ZINC000515564108 1040869337 /nfs/dbraw/zinc/86/93/37/1040869337.db2.gz HBMZDRGHDOCFCL-KRWDZBQOSA-N 0 3 346.352 4.363 20 30 EIEDHN C[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)c1cscn1 ZINC000537977796 1040946314 /nfs/dbraw/zinc/94/63/14/1040946314.db2.gz VKQQSEHNBVCDLR-IUDNXUCKSA-N 0 3 327.453 4.056 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000436314370 1041084431 /nfs/dbraw/zinc/08/44/31/1041084431.db2.gz NDULMMWYDJRACK-COPCDDAFSA-N 0 3 348.446 4.488 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)C3(CCCCC3)C2)CC1 ZINC000463202652 1041430094 /nfs/dbraw/zinc/43/00/94/1041430094.db2.gz MOLLBVXAFFYISV-SFHVURJKSA-N 0 3 347.547 4.029 20 30 EIEDHN C=C(C)[C@H](N[C@H](C)Cc1cccc(OC)n1)c1ccc(F)c(F)c1 ZINC000480679689 1041476132 /nfs/dbraw/zinc/47/61/32/1041476132.db2.gz JJOSHNBREOWMJA-YJYMSZOUSA-N 0 3 332.394 4.206 20 30 EIEDHN N#Cc1ccc(CN2CC[C@H](c3ccccc3)C2)c(Br)c1 ZINC000480753527 1041512175 /nfs/dbraw/zinc/51/21/75/1041512175.db2.gz ZMEYHSRRKAFOCU-INIZCTEOSA-N 0 3 341.252 4.310 20 30 EIEDHN Cc1ccc([C@@H](Cn2ccnc2)N[C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000540609154 1041561289 /nfs/dbraw/zinc/56/12/89/1041561289.db2.gz DKKTWCVJXMNQRC-XMSQKQJNSA-N 0 3 344.462 4.464 20 30 EIEDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437894209 1041953052 /nfs/dbraw/zinc/95/30/52/1041953052.db2.gz HHQCTMAUSXETQV-GJZGRUSLSA-N 0 3 340.439 4.266 20 30 EIEDHN CCN(Cc1cn2ccccc2c1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000517530279 1042067712 /nfs/dbraw/zinc/06/77/12/1042067712.db2.gz NQYNCIRTEGFSPW-KRWDZBQOSA-N 0 3 347.462 4.273 20 30 EIEDHN CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000464582758 1042068329 /nfs/dbraw/zinc/06/83/29/1042068329.db2.gz PTPGTTVZEVNKIP-QGZVFWFLSA-N 0 3 342.483 4.041 20 30 EIEDHN C[C@@H](NCc1cccc(OCC(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000271920683 1042518162 /nfs/dbraw/zinc/51/81/62/1042518162.db2.gz DPVSPSQKYHZBNQ-GFCCVEGCSA-N 0 3 334.341 4.192 20 30 EIEDHN CC(C)C(=O)Nc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271923889 1042524242 /nfs/dbraw/zinc/52/42/42/1042524242.db2.gz INBYCKKOBOZJMK-CQSZACIVSA-N 0 3 339.414 4.143 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(F)c3cccnc23)c1 ZINC000151984407 1042572358 /nfs/dbraw/zinc/57/23/58/1042572358.db2.gz ZEZJUMHVJMWWRP-QGZVFWFLSA-N 0 3 349.409 4.345 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccc(F)c3cccnc23)C2CC2)cc1 ZINC000506549197 1042590129 /nfs/dbraw/zinc/59/01/29/1042590129.db2.gz YASPFHVEBDNWMD-UHFFFAOYSA-N 0 3 331.394 4.410 20 30 EIEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000271975876 1042605252 /nfs/dbraw/zinc/60/52/52/1042605252.db2.gz XYCRFIGRCGSVLI-UGSOOPFHSA-N 0 3 340.398 4.270 20 30 EIEDHN COC[C@@H](C)Oc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000597160203 1042834090 /nfs/dbraw/zinc/83/40/90/1042834090.db2.gz KNXVXXIAFIDZTD-IAGOWNOFSA-N 0 3 338.451 4.165 20 30 EIEDHN Cc1ccn(C)c1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000190663521 1042882484 /nfs/dbraw/zinc/88/24/84/1042882484.db2.gz BAFOMAKNVJIJBI-LLVKDONJSA-N 0 3 329.812 4.087 20 30 EIEDHN CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000272162974 1042885644 /nfs/dbraw/zinc/88/56/44/1042885644.db2.gz BZNMFDDGGUFPMS-GOSISDBHSA-N 0 3 334.419 4.059 20 30 EIEDHN N#Cc1ccc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000574694660 1042914623 /nfs/dbraw/zinc/91/46/23/1042914623.db2.gz QCVKZNQGDISSSQ-ACDBMABISA-N 0 3 347.418 4.377 20 30 EIEDHN CC[C@H](C)[C@H](C)N(CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000112599552 1043118248 /nfs/dbraw/zinc/11/82/48/1043118248.db2.gz LVVNPXFEUPQXQO-STQMWFEESA-N 0 3 333.863 4.049 20 30 EIEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000282462463 1043150804 /nfs/dbraw/zinc/15/08/04/1043150804.db2.gz OPRBMWRLPNEABM-KBXCAEBGSA-N 0 3 345.874 4.280 20 30 EIEDHN COc1ccc(Oc2cc(CN[C@@H]3CCC[C@@H](C#N)C3)ccn2)cc1 ZINC000185784971 1043219604 /nfs/dbraw/zinc/21/96/04/1043219604.db2.gz ZBMFMXZCYZRAMK-NVXWUHKLSA-N 0 3 337.423 4.054 20 30 EIEDHN COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(OC2CCCC2)c1 ZINC000185850816 1043226785 /nfs/dbraw/zinc/22/67/85/1043226785.db2.gz HFTBHPIEZUSRGH-WBVHZDCISA-N 0 3 328.456 4.189 20 30 EIEDHN C=CCC[C@@H](C(=O)NCc1ccccc1CN(C)C)c1ccccc1 ZINC000188890581 1043381309 /nfs/dbraw/zinc/38/13/09/1043381309.db2.gz DLNKRCWZKDZXOF-OAQYLSRUSA-N 0 3 336.479 4.114 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C3CCCCC3)CC2)CC1 ZINC000730030186 1043430345 /nfs/dbraw/zinc/43/03/45/1043430345.db2.gz XCHHXCZOBWYOFH-UHFFFAOYSA-N 0 3 347.547 4.029 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2C(C)(C)C)c1 ZINC000609195440 1043447243 /nfs/dbraw/zinc/44/72/43/1043447243.db2.gz TVYIXPSPHBIMDZ-LJQANCHMSA-N 0 3 341.499 4.061 20 30 EIEDHN N#Cc1ccc(CN(CCc2ccccc2)Cc2cccnc2)cc1 ZINC000171146922 1043462648 /nfs/dbraw/zinc/46/26/48/1043462648.db2.gz OGWRWJLUFFQJOO-UHFFFAOYSA-N 0 3 327.431 4.198 20 30 EIEDHN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000499626468 1043497923 /nfs/dbraw/zinc/49/79/23/1043497923.db2.gz OUSLOAVFZXRPES-ACJLOTCBSA-N 0 3 348.368 4.189 20 30 EIEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000731029639 1043678566 /nfs/dbraw/zinc/67/85/66/1043678566.db2.gz AETCTXVGNDPISI-OAHLLOKOSA-N 0 3 341.480 4.126 20 30 EIEDHN N#CCOc1ccc(CN2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000731210167 1043713824 /nfs/dbraw/zinc/71/38/24/1043713824.db2.gz ARFCLACIFPEDIE-UHFFFAOYSA-N 0 3 343.430 4.360 20 30 EIEDHN C=CCc1cc(OC)cc(CN(Cc2ccc(F)cc2)C2CC2)c1O ZINC000732492558 1043927836 /nfs/dbraw/zinc/92/78/36/1043927836.db2.gz PPBCKACSKCJRDT-UHFFFAOYSA-N 0 3 341.426 4.433 20 30 EIEDHN N#Cc1ccc(-c2ccn(CN3CCC[C@]4(CC=CCC4)C3)n2)cc1 ZINC000733992744 1044449706 /nfs/dbraw/zinc/44/97/06/1044449706.db2.gz UHQWNIHNDRWKGS-OAQYLSRUSA-N 0 3 332.451 4.202 20 30 EIEDHN C=CC[C@H](CO)CN[C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000495072047 1044637706 /nfs/dbraw/zinc/63/77/06/1044637706.db2.gz ZMSGALFUPMDHFB-YWZLYKJASA-N 0 3 345.870 4.212 20 30 EIEDHN N#CC(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc2ccccc2n1 ZINC000734964049 1044717333 /nfs/dbraw/zinc/71/73/33/1044717333.db2.gz ROXNWLGAHONIQE-KFWWJZLASA-N 0 3 348.352 4.493 20 30 EIEDHN C=CCN(CCc1ccco1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000495201812 1044788944 /nfs/dbraw/zinc/78/89/44/1044788944.db2.gz PCUFNNQRTJCPSS-UHFFFAOYSA-N 0 3 343.377 4.179 20 30 EIEDHN N#Cc1ccc(OCCCN2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000735494966 1044833048 /nfs/dbraw/zinc/83/30/48/1044833048.db2.gz LYACLRWWEZGFEZ-HXUWFJFHSA-N 0 3 338.476 4.117 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc4ccccc4c3)nc21 ZINC000735790711 1044865371 /nfs/dbraw/zinc/86/53/71/1044865371.db2.gz PDGXYQOVNMXKOI-GOSISDBHSA-N 0 3 339.398 4.444 20 30 EIEDHN C=CCOCCN[C@H](COc1c(C)cccc1C)c1ccccc1 ZINC001168485584 1044881359 /nfs/dbraw/zinc/88/13/59/1044881359.db2.gz GXYDQIMZIUPWPR-HXUWFJFHSA-N 0 3 325.452 4.216 20 30 EIEDHN C=CCN(Cc1ccc(OC(F)F)c(Br)c1)C1CC1 ZINC000543619793 1044962014 /nfs/dbraw/zinc/96/20/14/1044962014.db2.gz HLBZAAHAULDASZ-UHFFFAOYSA-N 0 3 332.188 4.201 20 30 EIEDHN N#Cc1csc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000611252756 1045265617 /nfs/dbraw/zinc/26/56/17/1045265617.db2.gz AZKJUWZFTMBUEU-UHFFFAOYSA-N 0 3 340.448 4.293 20 30 EIEDHN Cc1cc(CNCc2ccc(N3CCC(C)CC3)cc2)ccc1C#N ZINC000767687013 1045613092 /nfs/dbraw/zinc/61/30/92/1045613092.db2.gz BFHPIOQCICLVKX-UHFFFAOYSA-N 0 3 333.479 4.393 20 30 EIEDHN CCO[C@H](C(=O)C(C#N)c1nccc2ccccc21)c1ccccc1 ZINC000792100859 1045856639 /nfs/dbraw/zinc/85/66/39/1045856639.db2.gz MSMKVAYADPRQDO-RXVVDRJESA-N 0 3 330.387 4.189 20 30 EIEDHN N#CC(C(=O)CCCOc1cccc(F)c1)c1nccc2ccccc21 ZINC000792105675 1045858361 /nfs/dbraw/zinc/85/83/61/1045858361.db2.gz WRYLOJYNBVGOTR-IBGZPJMESA-N 0 3 348.377 4.409 20 30 EIEDHN N#CC(C(=O)CCc1ccc(F)cc1F)c1nccc2ccccc21 ZINC000792094726 1045863204 /nfs/dbraw/zinc/86/32/04/1045863204.db2.gz GIFHITAYJUIFFX-KRWDZBQOSA-N 0 3 336.341 4.322 20 30 EIEDHN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(C#N)c(F)c1 ZINC000792198825 1045878644 /nfs/dbraw/zinc/87/86/44/1045878644.db2.gz NXMAENQTDDVXKQ-UHFFFAOYSA-N 0 3 337.442 4.320 20 30 EIEDHN N#Cc1cncc(CN(Cc2cccs2)C2Cc3ccccc3C2)c1 ZINC001170253048 1045971265 /nfs/dbraw/zinc/97/12/65/1045971265.db2.gz JEWGHGVSATZJSA-UHFFFAOYSA-N 0 3 345.471 4.184 20 30 EIEDHN CCC[C@H](NC[C@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168510149 1046044064 /nfs/dbraw/zinc/04/40/64/1046044064.db2.gz SRPSUICABSOPSK-OALUTQOASA-N 0 3 330.378 4.001 20 30 EIEDHN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@H](O)c1ccc(C#N)cc1 ZINC000769990904 1046124265 /nfs/dbraw/zinc/12/42/65/1046124265.db2.gz PKPQELIDLUFVCP-MSOLQXFVSA-N 0 3 348.368 4.183 20 30 EIEDHN CCCCN(Cc1ccccc1F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763406971 1046133739 /nfs/dbraw/zinc/13/37/39/1046133739.db2.gz JKCFMARMKPPTFO-HXUWFJFHSA-N 0 3 326.415 4.033 20 30 EIEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC000770713323 1046259778 /nfs/dbraw/zinc/25/97/78/1046259778.db2.gz WZKBOZYITABIGT-GOSISDBHSA-N 0 3 333.378 4.010 20 30 EIEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cc2ccccc2o1 ZINC000916907145 1046455485 /nfs/dbraw/zinc/45/54/85/1046455485.db2.gz UXKBTPHMADSLFX-GFCCVEGCSA-N 0 3 338.750 4.047 20 30 EIEDHN C[C@@H](c1ccccc1)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917052564 1046578870 /nfs/dbraw/zinc/57/88/70/1046578870.db2.gz WTSZZENLEQMQPG-GOEBONIOSA-N 0 3 349.459 4.166 20 30 EIEDHN COc1ccccc1CN(CCCOc1ccc(C#N)cc1)C1CC1 ZINC000917067584 1046631128 /nfs/dbraw/zinc/63/11/28/1046631128.db2.gz NSZYBLZZMLNCAP-UHFFFAOYSA-N 0 3 336.435 4.000 20 30 EIEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000747205091 1046726285 /nfs/dbraw/zinc/72/62/85/1046726285.db2.gz PKPDGTNKWVOYAG-HIFRSBDPSA-N 0 3 330.478 4.436 20 30 EIEDHN Cc1cccc(NC(=O)C[C@H](C)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000536840571 1046814214 /nfs/dbraw/zinc/81/42/14/1046814214.db2.gz UOMRFJSHUZYPTD-PXNSSMCTSA-N 0 3 335.451 4.347 20 30 EIEDHN Cc1cc(C)cc(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000917406331 1046873081 /nfs/dbraw/zinc/87/30/81/1046873081.db2.gz WDNXKXWZCOGEDB-MRXNPFEDSA-N 0 3 349.459 4.226 20 30 EIEDHN Cc1c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cnn1-c1ccccc1 ZINC000787025353 1046893035 /nfs/dbraw/zinc/89/30/35/1046893035.db2.gz GEPZJQDTHXMXPD-NYHFZMIOSA-N 0 3 342.446 4.391 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)c1ccc(C#N)c(F)c1 ZINC000537408093 1047198932 /nfs/dbraw/zinc/19/89/32/1047198932.db2.gz VOICOIALQCSHKA-CABCVRRESA-N 0 3 334.398 4.295 20 30 EIEDHN COc1cc(C)c([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000537408433 1047201245 /nfs/dbraw/zinc/20/12/45/1047201245.db2.gz XJHKSCSSYKPILZ-ZIAGYGMSSA-N 0 3 342.414 4.435 20 30 EIEDHN C=CCc1cc(CNCc2cc3ccccc3[nH]2)cc(OC)c1OC ZINC000788513353 1047210080 /nfs/dbraw/zinc/21/00/80/1047210080.db2.gz QJYTWZVAXUJWFA-UHFFFAOYSA-N 0 3 336.435 4.203 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 ZINC000788648100 1047248671 /nfs/dbraw/zinc/24/86/71/1047248671.db2.gz XGMPHPZODJJALO-NQIIRXRSSA-N 0 3 336.435 4.240 20 30 EIEDHN C=CCc1cccc(C(C)C)c1NC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000666865927 1047268641 /nfs/dbraw/zinc/26/86/41/1047268641.db2.gz CIWWPMQBOLGZIB-QGZVFWFLSA-N 0 3 329.488 4.096 20 30 EIEDHN COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1ccc(OC)c(C#N)c1 ZINC000788984053 1047342355 /nfs/dbraw/zinc/34/23/55/1047342355.db2.gz MNZSSMHRGBVNDV-LJQANCHMSA-N 0 3 336.435 4.088 20 30 EIEDHN CCCCCCCC(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000918350726 1047412467 /nfs/dbraw/zinc/41/24/67/1047412467.db2.gz OEXYDNCDNPDABE-UHFFFAOYSA-N 0 3 346.515 4.136 20 30 EIEDHN N#Cc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)c(Br)c1 ZINC001137638195 1047450223 /nfs/dbraw/zinc/45/02/23/1047450223.db2.gz VWIWTQIOKYEYTM-CABCVRRESA-N 0 3 333.273 4.333 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCC(F)(c3ccccc3)CC2)cc1 ZINC000789757367 1047468739 /nfs/dbraw/zinc/46/87/39/1047468739.db2.gz MYVALDHVXIGDEJ-QGZVFWFLSA-N 0 3 338.426 4.438 20 30 EIEDHN CC(C)CN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000170984244 1047601490 /nfs/dbraw/zinc/60/14/90/1047601490.db2.gz DASVJGRLEDODQL-MRXNPFEDSA-N 0 3 347.528 4.243 20 30 EIEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000918737976 1047630283 /nfs/dbraw/zinc/63/02/83/1047630283.db2.gz VBPAUCYGZVXIFH-GOSISDBHSA-N 0 3 335.369 4.427 20 30 EIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC(C)(C)C ZINC000556291028 1047657811 /nfs/dbraw/zinc/65/78/11/1047657811.db2.gz ZEGMUBJWDBSNRT-UHFFFAOYSA-N 0 3 336.549 4.021 20 30 EIEDHN N#Cc1ccc(CN(Cc2cc(F)cc3cccnc32)C2CC2)cc1 ZINC000194960180 1047890440 /nfs/dbraw/zinc/89/04/40/1047890440.db2.gz WVFZGPJAXNOCBB-UHFFFAOYSA-N 0 3 331.394 4.410 20 30 EIEDHN C#CCCOc1ccc(CN[C@@H]2CCCN(C)c3ccccc32)cc1 ZINC000825110281 1048038421 /nfs/dbraw/zinc/03/84/21/1048038421.db2.gz DQVWASZCYYINCO-OAQYLSRUSA-N 0 3 334.463 4.150 20 30 EIEDHN N#CCCC[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000814659822 1048106330 /nfs/dbraw/zinc/10/63/30/1048106330.db2.gz PZXJCJUJMRLNHU-KRWDZBQOSA-N 0 3 327.359 4.259 20 30 EIEDHN CC(C)(C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000805926237 1048285573 /nfs/dbraw/zinc/28/55/73/1048285573.db2.gz MOXZLWIENACYMX-MRXNPFEDSA-N 0 3 348.874 4.272 20 30 EIEDHN C#CCCOc1ccc(CNCc2ccc(C(C)(F)F)cc2)cc1 ZINC000815142214 1048365404 /nfs/dbraw/zinc/36/54/04/1048365404.db2.gz PLEXPUAUKNFUKL-UHFFFAOYSA-N 0 3 329.390 4.490 20 30 EIEDHN C#Cc1ccc(CN[C@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000809618182 1048421788 /nfs/dbraw/zinc/42/17/88/1048421788.db2.gz FCFWMPHUEATZSJ-GFCCVEGCSA-N 0 3 332.216 4.420 20 30 EIEDHN N#CCSCCCN1CCC[C@H]1c1cccc(Br)c1 ZINC000074981993 1048636353 /nfs/dbraw/zinc/63/63/53/1048636353.db2.gz GIWSWNDTHYNAPV-HNNXBMFYSA-N 0 3 339.302 4.233 20 30 EIEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(N2CCCC2=O)cc1 ZINC000810212740 1048682864 /nfs/dbraw/zinc/68/28/64/1048682864.db2.gz WXHJQICGWLONPF-BTYIYWSLSA-N 0 3 345.446 4.023 20 30 EIEDHN C#CC1CCN(Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC001144499623 1048699429 /nfs/dbraw/zinc/69/94/29/1048699429.db2.gz PKYIOXAPLXTDTB-UHFFFAOYSA-N 0 3 335.447 4.119 20 30 EIEDHN C#Cc1ccc(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)cc1 ZINC001144573372 1048732135 /nfs/dbraw/zinc/73/21/35/1048732135.db2.gz HPYGQKVJPFAKLO-UHFFFAOYSA-N 0 3 343.430 4.098 20 30 EIEDHN C[C@H]1[C@@H](OC(=O)CCCCCC#N)CCCN1Cc1ccccc1 ZINC000816470369 1048806898 /nfs/dbraw/zinc/80/68/98/1048806898.db2.gz MQWYUASZNKRYNM-HKUYNNGSSA-N 0 3 328.456 4.057 20 30 EIEDHN CCOc1ccc(/C=N\C[C@@H](c2cccs2)N2CCCC2)c(O)c1 ZINC000920944382 1048817715 /nfs/dbraw/zinc/81/77/15/1048817715.db2.gz WIMNQQNETITQFL-IZQLPPHKSA-N 0 3 344.480 4.108 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc(Cl)c3F)nc21 ZINC000810590169 1048825108 /nfs/dbraw/zinc/82/51/08/1048825108.db2.gz FIZALDIIOAKBBM-GFCCVEGCSA-N 0 3 341.773 4.083 20 30 EIEDHN N#Cc1cccc(O[C@H]2CCCN(Cc3ccc4scnc4c3)C2)c1 ZINC001144743357 1048848344 /nfs/dbraw/zinc/84/83/44/1048848344.db2.gz KDPCFZJCODDSSB-SFHVURJKSA-N 0 3 349.459 4.211 20 30 EIEDHN CCN1CCN(c2ccc(Nc3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC001212253677 1048913236 /nfs/dbraw/zinc/91/32/36/1048913236.db2.gz NZRBAKFWYHGGLS-UHFFFAOYSA-N 0 3 346.478 4.127 20 30 EIEDHN COc1ccc([C@@H](NCc2ccc(OCC#N)cc2)C(C)C)c(F)c1 ZINC000817578464 1049008570 /nfs/dbraw/zinc/00/85/70/1049008570.db2.gz LGHFKLFXNCWSDX-FQEVSTJZSA-N 0 3 342.414 4.224 20 30 EIEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000818346390 1049128311 /nfs/dbraw/zinc/12/83/11/1049128311.db2.gz DRMFNZXPIUVEHE-VCOUNFBDSA-N 0 3 337.463 4.247 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc3c(c2)COC3)c1 ZINC000772984816 1049265044 /nfs/dbraw/zinc/26/50/44/1049265044.db2.gz QHCHOXGWVHPKQP-MGPUTAFESA-N 0 3 336.435 4.249 20 30 EIEDHN N#CC(C(=O)c1cc2cc(F)ccc2s1)c1nc2ccccc2[nH]1 ZINC000078733647 1049280858 /nfs/dbraw/zinc/28/08/58/1049280858.db2.gz IVBXMZWISRSTET-GFCCVEGCSA-N 0 3 335.363 4.407 20 30 EIEDHN C[C@@H](NN=C1CCN(C2CC2)[C@H](c2ccccc2)C1)c1ccncc1 ZINC000819818475 1049374814 /nfs/dbraw/zinc/37/48/14/1049374814.db2.gz MQOFMYBKSABSNY-IERDGZPVSA-N 0 3 334.467 4.088 20 30 EIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC)c(Cl)c2)cc1 ZINC000773068749 1049565752 /nfs/dbraw/zinc/56/57/52/1049565752.db2.gz PYTBBRHSSJRVPJ-AWEZNQCLSA-N 0 3 329.827 4.211 20 30 EIEDHN C#C[C@H](N[C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000812791935 1049588687 /nfs/dbraw/zinc/58/86/87/1049588687.db2.gz DURBEAPTATXNKQ-CLCXKQKWSA-N 0 3 341.426 4.299 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000237582790 1049635053 /nfs/dbraw/zinc/63/50/53/1049635053.db2.gz LSKBBYAKVTUAFQ-ZIAGYGMSSA-N 0 3 346.377 4.430 20 30 EIEDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1[O-] ZINC000822525572 1049767830 /nfs/dbraw/zinc/76/78/30/1049767830.db2.gz IPDDBUYTDJQVPH-LBPRGKRZSA-N 0 3 330.815 4.119 20 30 EIEDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1[O-] ZINC000822525572 1049767834 /nfs/dbraw/zinc/76/78/34/1049767834.db2.gz IPDDBUYTDJQVPH-LBPRGKRZSA-N 0 3 330.815 4.119 20 30 EIEDHN CCC1(CC)CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000615810614 1049784444 /nfs/dbraw/zinc/78/44/44/1049784444.db2.gz RFUCHEXQHMMJRZ-UHFFFAOYSA-N 0 3 338.455 4.401 20 30 EIEDHN CC[C@H](CC#N)N[C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171816242 1049810709 /nfs/dbraw/zinc/81/07/09/1049810709.db2.gz HAXLSVRZEYXLMZ-WCXIOVBPSA-N 0 3 337.508 4.225 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172313959 1049875959 /nfs/dbraw/zinc/87/59/59/1049875959.db2.gz DMKSYRARRHJQRA-KRWDZBQOSA-N 0 3 347.437 4.186 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@@H](CO)c1ccc(Cl)cc1Cl ZINC001172293103 1049881892 /nfs/dbraw/zinc/88/18/92/1049881892.db2.gz BFGXDGGCUXCQHT-XIKOKIGWSA-N 0 3 349.261 4.119 20 30 EIEDHN CCCCCCCc1ccc(-c2noc([C@@]34C[C@@H]3CCN4)n2)cc1 ZINC001212343027 1050144418 /nfs/dbraw/zinc/14/44/18/1050144418.db2.gz GEHOQHSWZBBLAY-FXAWDEMLSA-N 0 3 325.456 4.458 20 30 EIEDHN C[C@H](NCc1ccc(N2CCC(C)CC2)nc1)c1cccc(C#N)c1 ZINC000181519154 1050171508 /nfs/dbraw/zinc/17/15/08/1050171508.db2.gz WWBOEBNDISPPOI-KRWDZBQOSA-N 0 3 334.467 4.040 20 30 EIEDHN C[C@@H](CSc1ccc(Cl)cc1)NC(=N)c1ccc(Cl)cn1 ZINC001172883366 1050224592 /nfs/dbraw/zinc/22/45/92/1050224592.db2.gz RVXIENWPGATHTO-JTQLQIEISA-N 0 3 340.279 4.275 20 30 EIEDHN CC(C)(C)c1ccccc1OCCNCc1ccc(C#N)cc1F ZINC001177783562 1050300487 /nfs/dbraw/zinc/30/04/87/1050300487.db2.gz AAQFMIBIRAYKKG-UHFFFAOYSA-N 0 3 326.415 4.163 20 30 EIEDHN Cc1cc(CNCc2cccc(OCc3ccccn3)c2)ccc1C#N ZINC000618191278 1050304386 /nfs/dbraw/zinc/30/43/86/1050304386.db2.gz BVKLSOHEQMCEAJ-UHFFFAOYSA-N 0 3 343.430 4.131 20 30 EIEDHN CC(C)(C#N)CCCCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000618283292 1050328631 /nfs/dbraw/zinc/32/86/31/1050328631.db2.gz FZSDUFJBPIOOLM-QWRGUYRKSA-N 0 3 330.316 4.379 20 30 EIEDHN Cc1cc(CN2CCC(OCc3ccc(F)cc3)CC2)ccc1C#N ZINC000618601913 1050434603 /nfs/dbraw/zinc/43/46/03/1050434603.db2.gz MDSVCCSJLOOZLH-UHFFFAOYSA-N 0 3 338.426 4.187 20 30 EIEDHN CN(C)Cc1ccc(C(=O)Nc2sc3ccccc3c2C#N)cc1 ZINC001187278112 1050513212 /nfs/dbraw/zinc/51/32/12/1050513212.db2.gz SPQOPWRCXTWWFL-UHFFFAOYSA-N 0 3 335.432 4.087 20 30 EIEDHN N=C(NC1CCC2(CCc3ccccc32)CC1)c1ccc(Cl)cn1 ZINC001173687298 1050541586 /nfs/dbraw/zinc/54/15/86/1050541586.db2.gz KLIKPYDCJLASIG-UHFFFAOYSA-N 0 3 339.870 4.267 20 30 EIEDHN CSc1ccc(CNCc2cc(C)c3ncccc3c2)cc1C#N ZINC001203672248 1050657689 /nfs/dbraw/zinc/65/76/89/1050657689.db2.gz DMKIRJRGKBDEBZ-UHFFFAOYSA-N 0 3 333.460 4.427 20 30 EIEDHN COc1cc(C)c([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc1OC ZINC000619755333 1050882946 /nfs/dbraw/zinc/88/29/46/1050882946.db2.gz XGTLACTUQNXJDF-CYBMUJFWSA-N 0 3 344.842 4.388 20 30 EIEDHN C#CCN(C[C@H](O)c1ccc(F)cc1Cl)[C@H]1CCc2ccccc21 ZINC001190528959 1051206044 /nfs/dbraw/zinc/20/60/44/1051206044.db2.gz OXMOWMLLRHFBRD-PMACEKPBSA-N 0 3 343.829 4.135 20 30 EIEDHN COCC#CCN(Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC001190529846 1051207218 /nfs/dbraw/zinc/20/72/18/1051207218.db2.gz WINITZOGRWFZCL-UHFFFAOYSA-N 0 3 331.456 4.414 20 30 EIEDHN N#Cc1ccc(C2CCN(C/C=C/c3ccc(Cl)cc3)CC2)nc1 ZINC001174872935 1051226002 /nfs/dbraw/zinc/22/60/02/1051226002.db2.gz LKMSSKJIXLUFCA-OWOJBTEDSA-N 0 3 337.854 4.499 20 30 EIEDHN Cc1scc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)c1C ZINC001181612641 1051266239 /nfs/dbraw/zinc/26/62/39/1051266239.db2.gz WXKNYVZSCUKWLR-UHFFFAOYSA-N 0 3 344.455 4.419 20 30 EIEDHN C=C(C)CN(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001190819044 1051283572 /nfs/dbraw/zinc/28/35/72/1051283572.db2.gz RMHBTVITVIPQPU-UHFFFAOYSA-N 0 3 345.870 4.289 20 30 EIEDHN COc1cc(CN(C)[C@@H](C)CSc2ccccc2)ccc1C#N ZINC001182752672 1051683121 /nfs/dbraw/zinc/68/31/21/1051683121.db2.gz CAWSRXQFGZBDPC-HNNXBMFYSA-N 0 3 326.465 4.179 20 30 EIEDHN CC[C@@H](NCC#Cc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC001192681058 1051790726 /nfs/dbraw/zinc/79/07/26/1051790726.db2.gz CXENOPBLYUYYGQ-GOSISDBHSA-N 0 3 341.838 4.204 20 30 EIEDHN N#Cc1ccc(OCCCN2CCc3cc(Cl)ccc3C2)cc1 ZINC001193346601 1051906249 /nfs/dbraw/zinc/90/62/49/1051906249.db2.gz WFWIMGIFPSCCIT-UHFFFAOYSA-N 0 3 326.827 4.039 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CN1CCc2nc[nH]c2C12CCCCC2 ZINC001176112949 1051915063 /nfs/dbraw/zinc/91/50/63/1051915063.db2.gz FLDWWKLRPXKQEB-UHFFFAOYSA-N 0 3 334.467 4.116 20 30 EIEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC#Cc2ccccc2Cl)C1 ZINC001193957473 1052031543 /nfs/dbraw/zinc/03/15/43/1052031543.db2.gz YMCXCOQNKFWMJW-DWIQEWEKSA-N 0 3 345.914 4.343 20 30 EIEDHN C=C(CC)CN(CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC001194299425 1052122766 /nfs/dbraw/zinc/12/27/66/1052122766.db2.gz GCWOLLZNNVLWFT-UHFFFAOYSA-N 0 3 332.488 4.022 20 30 EIEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001176767240 1052192264 /nfs/dbraw/zinc/19/22/64/1052192264.db2.gz BJVPLSYXBCQQRA-OAHLLOKOSA-N 0 3 326.362 4.075 20 30 EIEDHN C[C@H](NCCOCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000623875285 1052827469 /nfs/dbraw/zinc/82/74/69/1052827469.db2.gz BZLPLAKQUGEHFY-QMMMGPOBSA-N 0 3 333.247 4.074 20 30 EIEDHN C[C@@H](NCCOCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000623875284 1052827774 /nfs/dbraw/zinc/82/77/74/1052827774.db2.gz BZLPLAKQUGEHFY-MRVPVSSYSA-N 0 3 333.247 4.074 20 30 EIEDHN C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000193089413 1053022621 /nfs/dbraw/zinc/02/26/21/1053022621.db2.gz URGWCVGVWMMQHL-DYESRHJHSA-N 0 3 347.462 4.063 20 30 EIEDHN CCOc1ccc(CNCc2cccc(O[C@@H](C#N)CC)c2)c(C)c1 ZINC000850137147 1053077907 /nfs/dbraw/zinc/07/79/07/1053077907.db2.gz KGYJLELHRBKWFV-LJQANCHMSA-N 0 3 338.451 4.365 20 30 EIEDHN COC1(C(=O)C(C#N)c2nccc3ccccc32)CCC(F)(F)CC1 ZINC000850986032 1053396300 /nfs/dbraw/zinc/39/63/00/1053396300.db2.gz MQRXFPICKGLGFB-OAHLLOKOSA-N 0 3 344.361 4.006 20 30 EIEDHN C#CCOc1ccc([C@H](C)NCc2ccccc2COC(C)C)cc1 ZINC000765337355 1053510384 /nfs/dbraw/zinc/51/03/84/1053510384.db2.gz WWUPGEGLAXZGMI-SFHVURJKSA-N 0 3 337.463 4.474 20 30 EIEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc2c(c1)CCCO2 ZINC000853094297 1053643613 /nfs/dbraw/zinc/64/36/13/1053643613.db2.gz APTUSFYPQHEARQ-JKSUJKDBSA-N 0 3 336.435 4.153 20 30 EIEDHN C[C@@H]1CCCC[C@@H]1OCCN1CCC(Nc2ccccc2C#N)CC1 ZINC001196535361 1053695710 /nfs/dbraw/zinc/69/57/10/1053695710.db2.gz KVDNGJTZOIGLTR-UTKZUKDTSA-N 0 3 341.499 4.030 20 30 EIEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000121672886 1053836171 /nfs/dbraw/zinc/83/61/71/1053836171.db2.gz NDEHXLREUBSAPA-APWZRJJASA-N 0 3 340.467 4.037 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(C)c(F)c2)ccc1OC ZINC000113348024 1053923546 /nfs/dbraw/zinc/92/35/46/1053923546.db2.gz XNIDGRHHSXVIAJ-KRWDZBQOSA-N 0 3 342.414 4.114 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2cc(C)cc(C)c2)ccc1OC ZINC000113347501 1053923658 /nfs/dbraw/zinc/92/36/58/1053923658.db2.gz MUVZGJMDIOVHOP-IBGZPJMESA-N 0 3 338.451 4.283 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(C)cc2C)ccc1OC ZINC000113347849 1053924798 /nfs/dbraw/zinc/92/47/98/1053924798.db2.gz KHALHJHUVMXPQQ-IBGZPJMESA-N 0 3 338.451 4.283 20 30 EIEDHN C[C@@H](CCc1ccc(F)cc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000870162795 1054066558 /nfs/dbraw/zinc/06/65/58/1054066558.db2.gz NHGUKNJAYWDAAX-BBRMVZONSA-N 0 3 336.366 4.412 20 30 EIEDHN COc1cc(C)cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1C ZINC000870444155 1054100468 /nfs/dbraw/zinc/10/04/68/1054100468.db2.gz GQRYQQKJRFTZFX-AWEZNQCLSA-N 0 3 326.421 4.136 20 30 EIEDHN N#Cc1cccc(CN(Cc2ccccc2)C[C@H](O)c2cccs2)c1 ZINC000123455231 1054149864 /nfs/dbraw/zinc/14/98/64/1054149864.db2.gz MAPABKWTRRGICB-FQEVSTJZSA-N 0 3 348.471 4.356 20 30 EIEDHN FC(F)(F)Oc1ccc(C#CCN[C@H](c2ccncc2)C2CC2)cc1 ZINC001198498581 1054167267 /nfs/dbraw/zinc/16/72/67/1054167267.db2.gz KMHMNQLESSDQBZ-SFHVURJKSA-N 0 3 346.352 4.073 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024017 1054403976 /nfs/dbraw/zinc/40/39/76/1054403976.db2.gz SYYUZMZUKUGYTQ-HRAATJIYSA-N 0 3 347.462 4.435 20 30 EIEDHN C=CCC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776002509 1054436862 /nfs/dbraw/zinc/43/68/62/1054436862.db2.gz FBVCXQIODQHWRY-FXAWDEMLSA-N 0 3 325.452 4.283 20 30 EIEDHN C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776002509 1054436869 /nfs/dbraw/zinc/43/68/69/1054436869.db2.gz FBVCXQIODQHWRY-FXAWDEMLSA-N 0 3 325.452 4.283 20 30 EIEDHN C#CCCOc1ccc(CN2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000776013422 1054438429 /nfs/dbraw/zinc/43/84/29/1054438429.db2.gz GPMNEPTWKPJUJJ-HSZRJFAPSA-N 0 3 347.458 4.110 20 30 EIEDHN N#Cc1ccc(O[C@@H]2CCCN(Cc3c[nH]c4c3cccc4F)C2)cc1 ZINC001137060371 1054449740 /nfs/dbraw/zinc/44/97/40/1054449740.db2.gz PSIGVTMUDCIQIS-GOSISDBHSA-N 0 3 349.409 4.222 20 30 EIEDHN COc1ccc(C(C)(C)NCc2ccc(O[C@H](C)C#N)cc2)cc1F ZINC000858258093 1054449982 /nfs/dbraw/zinc/44/99/82/1054449982.db2.gz UUIMRSFFWOYCBY-CQSZACIVSA-N 0 3 342.414 4.150 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCc4c3cccc4Cl)nc21 ZINC000776090627 1054539070 /nfs/dbraw/zinc/53/90/70/1054539070.db2.gz ODJDDWISAHXRSP-HUUCEWRRSA-N 0 3 349.821 4.431 20 30 EIEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CCc4c3cccc4Cl)[nH]c21 ZINC000776090627 1054539088 /nfs/dbraw/zinc/53/90/88/1054539088.db2.gz ODJDDWISAHXRSP-HUUCEWRRSA-N 0 3 349.821 4.431 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCCc1c(C)cccc1C ZINC001201025116 1054614822 /nfs/dbraw/zinc/61/48/22/1054614822.db2.gz BWXWKIDPFVHHRF-UHFFFAOYSA-N 0 3 327.855 4.301 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776164847 1054779512 /nfs/dbraw/zinc/77/95/12/1054779512.db2.gz KWWWPDPSDZHXGU-APWZRJJASA-N 0 3 349.434 4.121 20 30 EIEDHN N#CCc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001201474246 1054827911 /nfs/dbraw/zinc/82/79/11/1054827911.db2.gz BAEVOKLCJUTSOV-YADHBBJMSA-N 0 3 329.447 4.485 20 30 EIEDHN C=CCCC[C@@H](C)NCc1cccc(F)c1I ZINC001201657174 1054877653 /nfs/dbraw/zinc/87/76/53/1054877653.db2.gz XELFZCQDGBNWEE-LLVKDONJSA-N 0 3 347.215 4.265 20 30 EIEDHN CCCCCCCN1CCc2c(c(COCC)nn2CC2CC2)C1 ZINC001201762374 1054899464 /nfs/dbraw/zinc/89/94/64/1054899464.db2.gz IAGNASLYYYBZNG-UHFFFAOYSA-N 0 3 333.520 4.158 20 30 EIEDHN CCCCCCCN1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001201776866 1054917586 /nfs/dbraw/zinc/91/75/86/1054917586.db2.gz OJNQMVDOPWUIMN-PCCBWWKXSA-N 0 3 346.515 4.048 20 30 EIEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000876631500 1054941454 /nfs/dbraw/zinc/94/14/54/1054941454.db2.gz STNHYLYPVWZVIH-LJQANCHMSA-N 0 3 342.870 4.016 20 30 EIEDHN Cc1ccc(Oc2cccc(NC(=O)[C@@H](N)CCCC#N)c2)c(C)c1 ZINC000877233795 1055034862 /nfs/dbraw/zinc/03/48/62/1055034862.db2.gz JSNJAEZLLBCYJX-SFHVURJKSA-N 0 3 337.423 4.055 20 30 EIEDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000126641028 1055107240 /nfs/dbraw/zinc/10/72/40/1055107240.db2.gz ZTIPXEXKDYOOKT-QGZVFWFLSA-N 0 3 335.234 4.030 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000877903636 1055149312 /nfs/dbraw/zinc/14/93/12/1055149312.db2.gz ZILHSWGVTIEIMZ-ICSRJNTNSA-N 0 3 338.476 4.326 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(C)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000877951909 1055160759 /nfs/dbraw/zinc/16/07/59/1055160759.db2.gz UHDJVWKKIKVVCW-FGZHOGPDSA-N 0 3 332.447 4.046 20 30 EIEDHN CC(=O)[C@](C#N)(CCN1CC[C@H](c2ccc(C)cc2)C1)c1ccccc1 ZINC000878405590 1055294446 /nfs/dbraw/zinc/29/44/46/1055294446.db2.gz IHBRZFCKTOVZGA-JTHBVZDNSA-N 0 3 346.474 4.225 20 30 EIEDHN C=C(C)COCCN[C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000090451169 1055517532 /nfs/dbraw/zinc/51/75/32/1055517532.db2.gz UETSNUCACRIEJG-HNNXBMFYSA-N 0 3 330.497 4.286 20 30 EIEDHN Cc1ccc([C@H](CNc2c(C#N)cnc3ccccc32)N2CCCC2)o1 ZINC000301405979 1055932386 /nfs/dbraw/zinc/93/23/86/1055932386.db2.gz LTCDKBWHEPOOBF-IBGZPJMESA-N 0 3 346.434 4.257 20 30 EIEDHN CN(C)[C@H](CNc1ccc(C(F)(F)F)cc1C#N)c1cccs1 ZINC000301456456 1055939276 /nfs/dbraw/zinc/93/92/76/1055939276.db2.gz CDUPXQPVPCOGDD-CQSZACIVSA-N 0 3 339.386 4.353 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000302085581 1056015969 /nfs/dbraw/zinc/01/59/69/1056015969.db2.gz DVUHPMWHLFOFBG-UZLBHIALSA-N 0 3 347.462 4.226 20 30 EIEDHN CC(=O)c1ccc(C#N)c(NC2CCN([C@@H](C)c3ccccc3)CC2)c1 ZINC000302116560 1056019334 /nfs/dbraw/zinc/01/93/34/1056019334.db2.gz RUYOCSIYLNBQEM-INIZCTEOSA-N 0 3 347.462 4.398 20 30 EIEDHN CC(C)(C)[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000108852118 1056145591 /nfs/dbraw/zinc/14/55/91/1056145591.db2.gz QDJURXNHWTWCQA-LJQANCHMSA-N 0 3 339.414 4.013 20 30 EIEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1Br ZINC000091469184 1056154415 /nfs/dbraw/zinc/15/44/15/1056154415.db2.gz WDIBWVUGWLUUDM-CYBMUJFWSA-N 0 3 329.241 4.480 20 30 EIEDHN N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCCC2)cc1Cl ZINC000110676807 1056682193 /nfs/dbraw/zinc/68/21/93/1056682193.db2.gz GJICWHAKNOAOPY-KRWDZBQOSA-N 0 3 329.831 4.444 20 30 EIEDHN C#CCCCN[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000743484279 1059014504 /nfs/dbraw/zinc/01/45/04/1059014504.db2.gz CKUDTOIQCKQOSI-LJQANCHMSA-N 0 3 340.854 4.331 20 30 EIEDHN C=CCc1cc(CN[C@@H](C)c2cccc(F)c2)cc(OC)c1OC ZINC000743474560 1059023270 /nfs/dbraw/zinc/02/32/70/1059023270.db2.gz VJRGYZBRSUYEJH-AWEZNQCLSA-N 0 3 329.415 4.422 20 30 EIEDHN C#CCN(CCC1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000743848047 1059147016 /nfs/dbraw/zinc/14/70/16/1059147016.db2.gz MVCSHRRPHYEKFD-INIZCTEOSA-N 0 3 334.257 4.008 20 30 EIEDHN N#CC(C(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccc2ccccc2n1 ZINC000744015701 1059217249 /nfs/dbraw/zinc/21/72/49/1059217249.db2.gz AXXUXTKUUPEXPL-GWJPWWOOSA-N 0 3 338.410 4.315 20 30 EIEDHN C=CC[N@@H+](CCc1ccccc1)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000744211259 1059328710 /nfs/dbraw/zinc/32/87/10/1059328710.db2.gz IFUCJJRDRHVQMU-UHFFFAOYSA-N 0 3 349.430 4.038 20 30 EIEDHN C=CC[N@H+](CCc1ccccc1)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000744211259 1059328733 /nfs/dbraw/zinc/32/87/33/1059328733.db2.gz IFUCJJRDRHVQMU-UHFFFAOYSA-N 0 3 349.430 4.038 20 30 EIEDHN CCSCC[C@H](C)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000744426222 1059482904 /nfs/dbraw/zinc/48/29/04/1059482904.db2.gz ILXAYXVAHYPZDA-ZDUSSCGKSA-N 0 3 326.893 4.206 20 30 EIEDHN N#CCSCCCN1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000745942765 1059916715 /nfs/dbraw/zinc/91/67/15/1059916715.db2.gz RGTSHELWMGLLDG-OAHLLOKOSA-N 0 3 328.403 4.489 20 30 EIEDHN Cc1ccc2c(CCC(=O)C(C#N)c3nc4ccccc4o3)c[nH]c2c1 ZINC000745949603 1059925287 /nfs/dbraw/zinc/92/52/87/1059925287.db2.gz RGHQGRJGZLJBMS-INIZCTEOSA-N 0 3 343.386 4.427 20 30 EIEDHN Cc1ccc2c(CCC(=O)C(C#N)c3nc4ccccc4o3)c[nH]c2c1 ZINC000745949605 1059927126 /nfs/dbraw/zinc/92/71/26/1059927126.db2.gz RGHQGRJGZLJBMS-MRXNPFEDSA-N 0 3 343.386 4.427 20 30 EIEDHN C#C[C@@H](N[C@H](C)CCc1cccnc1)c1ccc(Br)cc1 ZINC001205991012 1060279153 /nfs/dbraw/zinc/27/91/53/1060279153.db2.gz ZWDPAVJUVMNINQ-RDTXWAMCSA-N 0 3 343.268 4.129 20 30 EIEDHN C#CCCCCCCN1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC001169261978 1060710084 /nfs/dbraw/zinc/71/00/84/1060710084.db2.gz SPIJRDCREQRRAF-QFIPXVFZSA-N 0 3 341.495 4.211 20 30 EIEDHN CC[C@H](CN(CC)Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC001169483873 1060827847 /nfs/dbraw/zinc/82/78/47/1060827847.db2.gz XVUVCCOLWVSMOA-QGZVFWFLSA-N 0 3 337.423 4.482 20 30 EIEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000532928840 1032394130 /nfs/dbraw/zinc/39/41/30/1032394130.db2.gz RYVXCAVHWUPPKR-GJZGRUSLSA-N 0 3 347.528 4.243 20 30 EIEDHN CC(C)[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000610250191 1032420549 /nfs/dbraw/zinc/42/05/49/1032420549.db2.gz IVJPONMQWNIEDO-WIYYLYMNSA-N 0 3 349.478 4.309 20 30 EIEDHN N#Cc1cccc(OC2CCN(Cc3ccc4cc[nH]c4c3)CC2)c1 ZINC000529524492 1032425324 /nfs/dbraw/zinc/42/53/24/1032425324.db2.gz CEODYJAIRTVNFZ-UHFFFAOYSA-N 0 3 331.419 4.083 20 30 EIEDHN COc1ccc(CC[C@@H]2CCCCN2CC2(C#N)CCC2)cc1OC ZINC000450341138 1032431848 /nfs/dbraw/zinc/43/18/48/1032431848.db2.gz YYJUSQHFLYCLSV-SFHVURJKSA-N 0 3 342.483 4.185 20 30 EIEDHN N#Cc1ccc(OC2CCN(Cc3ccc4cc[nH]c4c3)CC2)c(F)c1 ZINC000529567012 1032458886 /nfs/dbraw/zinc/45/88/86/1032458886.db2.gz SJJDWJNBBCZISE-UHFFFAOYSA-N 0 3 349.409 4.222 20 30 EIEDHN COc1cc(CN(C)[C@@H](C)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000533233881 1032561647 /nfs/dbraw/zinc/56/16/47/1032561647.db2.gz PZGLFOFHOMMRAY-ZDUSSCGKSA-N 0 3 346.377 4.361 20 30 EIEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000533288563 1032601264 /nfs/dbraw/zinc/60/12/64/1032601264.db2.gz OPRQJBMBLRPQRY-IRXDYDNUSA-N 0 3 334.529 4.478 20 30 EIEDHN C[C@H](N[C@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(C#N)c1 ZINC000533367587 1032704890 /nfs/dbraw/zinc/70/48/90/1032704890.db2.gz AKTINXAHLKYPRR-MGPUTAFESA-N 0 3 333.435 4.016 20 30 EIEDHN C=C(C)COCCNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000322950378 1019430643 /nfs/dbraw/zinc/43/06/43/1019430643.db2.gz OEKHROMKDLFJPI-UHFFFAOYSA-N 0 3 328.437 4.239 20 30 EIEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000157573753 1019491364 /nfs/dbraw/zinc/49/13/64/1019491364.db2.gz GTOKDHJIGMPDMU-MRXNPFEDSA-N 0 3 347.418 4.088 20 30 EIEDHN C=CCCCCCN(C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430247346 1019624611 /nfs/dbraw/zinc/62/46/11/1019624611.db2.gz GPJQKASKAQNGAV-UHFFFAOYSA-N 0 3 325.456 4.330 20 30 EIEDHN N#CC(C(=O)C=Cc1cccs1)c1nc2ccccc2n1C(F)F ZINC000254975193 1019670215 /nfs/dbraw/zinc/67/02/15/1019670215.db2.gz PVEZMTFSAAJDLL-KRZKBDHCSA-N 0 3 343.358 4.383 20 30 EIEDHN CC1(C)CN(CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000339709569 1019838221 /nfs/dbraw/zinc/83/82/21/1019838221.db2.gz DWEPXUOUIWAXAI-AZUAARDMSA-N 0 3 349.478 4.248 20 30 EIEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccccc1 ZINC000728914913 1032860324 /nfs/dbraw/zinc/86/03/24/1032860324.db2.gz ZIZWPSSEPKPKOP-MRXNPFEDSA-N 0 3 349.459 4.388 20 30 EIEDHN CCCCCCCCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155250124 1020398276 /nfs/dbraw/zinc/39/82/76/1020398276.db2.gz OXMQBZVDXGYQOL-SFHVURJKSA-N 0 3 345.531 4.474 20 30 EIEDHN COc1ccc(C)cc1[C@H](C)NCc1ccc(N(C)CCC#N)cc1 ZINC000024082768 1020482689 /nfs/dbraw/zinc/48/26/89/1020482689.db2.gz CGNFTADCKPPQTD-KRWDZBQOSA-N 0 3 337.467 4.204 20 30 EIEDHN C=CC[C@@H]1N(Cc2csc(-c3cnn(C)c3)n2)CCCC1(C)C ZINC000683528197 1020863047 /nfs/dbraw/zinc/86/30/47/1020863047.db2.gz XXXMTQWWFGJRNN-INIZCTEOSA-N 0 3 330.501 4.110 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000512516670 1032972280 /nfs/dbraw/zinc/97/22/80/1032972280.db2.gz JWLRUIXXAUYVOE-UHFFFAOYSA-N 0 3 339.464 4.003 20 30 EIEDHN Cc1ccc(OCCCC(=O)C(C#N)c2nc3ccccc3o2)cc1C ZINC000177606831 1021450633 /nfs/dbraw/zinc/45/06/33/1021450633.db2.gz FSGJGWHNKPMYMR-KRWDZBQOSA-N 0 3 348.402 4.480 20 30 EIEDHN COCC#CCNC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001167691505 1021457862 /nfs/dbraw/zinc/45/78/62/1021457862.db2.gz XYCLTHOCLREFSI-UHFFFAOYSA-N 0 3 325.374 4.104 20 30 EIEDHN C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCCC[C@@H]12 ZINC000610367485 1021542046 /nfs/dbraw/zinc/54/20/46/1021542046.db2.gz JORDGSQCKKTUAO-JLSDUUJJSA-N 0 3 336.439 4.009 20 30 EIEDHN C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCCC[C@H]12 ZINC000610367487 1021543839 /nfs/dbraw/zinc/54/38/39/1021543839.db2.gz JORDGSQCKKTUAO-ZTFGCOKTSA-N 0 3 336.439 4.009 20 30 EIEDHN C=CCC[C@@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccco1 ZINC000683889965 1021880114 /nfs/dbraw/zinc/88/01/14/1021880114.db2.gz BTXLVGPOLLNGDS-DOTOQJQBSA-N 0 3 332.394 4.434 20 30 EIEDHN C=CCC[C@H](O)CN1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000472939472 1022500273 /nfs/dbraw/zinc/50/02/73/1022500273.db2.gz MLKKBRFJBMTMQK-UNMCSNQZSA-N 0 3 337.463 4.122 20 30 EIEDHN CC[C@H](CC(F)F)CN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000659970916 1022792454 /nfs/dbraw/zinc/79/24/54/1022792454.db2.gz SDIQCTWRSGLMER-HLTSFMKQSA-N 0 3 327.259 4.340 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(-c2cncnc2)cc1)c1cccc(C#N)c1 ZINC000378449570 1022825744 /nfs/dbraw/zinc/82/57/44/1022825744.db2.gz GEVRDJLXGGICCM-JKSUJKDBSA-N 0 3 328.419 4.427 20 30 EIEDHN N#CC(C(=O)c1cccc(N2CCCC2)c1)c1nc(C2CC2)cs1 ZINC000659116180 1022847257 /nfs/dbraw/zinc/84/72/57/1022847257.db2.gz PKCJPNZLHVRSOK-MRXNPFEDSA-N 0 3 337.448 4.111 20 30 EIEDHN COc1ccc2c(c1F)CC[C@H]2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417370788 1023293153 /nfs/dbraw/zinc/29/31/53/1023293153.db2.gz SUECNLFRDITXBQ-RBUKOAKNSA-N 0 3 336.410 4.360 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(OC(C)C)cc2)c1 ZINC000073011897 1023318997 /nfs/dbraw/zinc/31/89/97/1023318997.db2.gz SEOYQXPEDLJERD-IBGZPJMESA-N 0 3 338.451 4.445 20 30 EIEDHN CN(C)C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000581518570 1023324664 /nfs/dbraw/zinc/32/46/64/1023324664.db2.gz IWXUYVQSZZOAIB-PMACEKPBSA-N 0 3 339.870 4.091 20 30 EIEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000341226004 1023400813 /nfs/dbraw/zinc/40/08/13/1023400813.db2.gz VERWFQBAFFFUCE-NVXWUHKLSA-N 0 3 347.890 4.097 20 30 EIEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)C[C@@H]1CCCCO1 ZINC000472752442 1023502292 /nfs/dbraw/zinc/50/22/92/1023502292.db2.gz PNRQROKEMWYWOW-QFIPXVFZSA-N 0 3 348.490 4.387 20 30 EIEDHN COc1ccc(Br)cc1CN(C)CCCC(C)(C)C#N ZINC000471699666 1023702110 /nfs/dbraw/zinc/70/21/10/1023702110.db2.gz BFJBGQVSKNXCAL-UHFFFAOYSA-N 0 3 339.277 4.219 20 30 EIEDHN N#Cc1cccc(OCCN[C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000341599075 1023922298 /nfs/dbraw/zinc/92/22/98/1023922298.db2.gz SUIBQYIBAJWLMH-QGZVFWFLSA-N 0 3 334.341 4.220 20 30 EIEDHN CC[C@@H](NCC1(CC#N)CC1)c1cc(F)cc(Br)c1 ZINC000430746373 1024004162 /nfs/dbraw/zinc/00/41/62/1024004162.db2.gz QBQPBJJRZHJGEE-CQSZACIVSA-N 0 3 325.225 4.323 20 30 EIEDHN CCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 ZINC000549547769 1024255214 /nfs/dbraw/zinc/25/52/14/1024255214.db2.gz MCQHGVWWCYVMHJ-UHFFFAOYSA-N 0 3 345.512 4.092 20 30 EIEDHN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341757424 1024601259 /nfs/dbraw/zinc/60/12/59/1024601259.db2.gz JCHGAGGBDAOWFH-SPLOXXLWSA-N 0 3 333.435 4.245 20 30 EIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000341761229 1024627746 /nfs/dbraw/zinc/62/77/46/1024627746.db2.gz OTDZEZFQHABGQJ-MGPUTAFESA-N 0 3 348.446 4.448 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(OC(F)F)c1 ZINC000341802816 1024726478 /nfs/dbraw/zinc/72/64/78/1024726478.db2.gz HOQAEIJCQJDULQ-SFHVURJKSA-N 0 3 328.362 4.327 20 30 EIEDHN N#CC1(F)CCN(CC/C=C/c2ccc(Br)cc2)CC1 ZINC000510905258 1024773139 /nfs/dbraw/zinc/77/31/39/1024773139.db2.gz OLAUDZPOVWFAJJ-HNQUOIGGSA-N 0 3 337.236 4.180 20 30 EIEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1cccc(C(F)(F)F)c1 ZINC000585766683 1025828734 /nfs/dbraw/zinc/82/87/34/1025828734.db2.gz DVMDXDQFUCFNGN-GFCCVEGCSA-N 0 3 344.340 4.076 20 30 EIEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000121640787 1026328033 /nfs/dbraw/zinc/32/80/33/1026328033.db2.gz CRCYRVDAMWQXAK-HZPDHXFCSA-N 0 3 336.435 4.069 20 30 EIEDHN N#Cc1ccc(OC2CCN(CCSc3ccccc3)CC2)cc1 ZINC000344578734 1026462234 /nfs/dbraw/zinc/46/22/34/1026462234.db2.gz AKHUMPRPMQVIRP-UHFFFAOYSA-N 0 3 338.476 4.194 20 30 EIEDHN CCCOc1ccc(CN2CCC(CCC#N)CC2)cc1OCC ZINC000582361272 1026486188 /nfs/dbraw/zinc/48/61/88/1026486188.db2.gz XTXIBSWIULZDPP-UHFFFAOYSA-N 0 3 330.472 4.390 20 30 EIEDHN Cn1cc(-c2ccc(CN(Cc3ccc(C#N)cc3)C3CC3)s2)cn1 ZINC000338921522 1026643000 /nfs/dbraw/zinc/64/30/00/1026643000.db2.gz UFSGMWWGQSSGOT-UHFFFAOYSA-N 0 3 348.475 4.185 20 30 EIEDHN C=CC[C@H]1N(Cc2nnc(-c3ccc(C#N)cc3)o2)CCCC1(C)C ZINC000277721407 1026835869 /nfs/dbraw/zinc/83/58/69/1026835869.db2.gz JEKYOBAKBREKOY-QGZVFWFLSA-N 0 3 336.439 4.175 20 30 EIEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000127967946 1026854576 /nfs/dbraw/zinc/85/45/76/1026854576.db2.gz APBYPRFORCHTKQ-MRXNPFEDSA-N 0 3 348.333 4.047 20 30 EIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccnc(OC(F)F)c1 ZINC000342813717 1027109022 /nfs/dbraw/zinc/10/90/22/1027109022.db2.gz JVBCRVXOTPGEML-KRWDZBQOSA-N 0 3 343.377 4.112 20 30 EIEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000342815983 1027122122 /nfs/dbraw/zinc/12/21/22/1027122122.db2.gz RYIQYMUZERTCLV-INIZCTEOSA-N 0 3 328.419 4.084 20 30 EIEDHN N#CC1(c2ccc(CN3CC[C@@]4(CC(F)(F)C4(F)F)C3)cc2)CC1 ZINC000896225205 1027343542 /nfs/dbraw/zinc/34/35/42/1027343542.db2.gz VEYWIWSLMITTPR-MRXNPFEDSA-N 0 3 338.348 4.108 20 30 EIEDHN COc1ccccc1C[C@H](NCc1cccc(F)c1C#N)C(C)C ZINC000428350864 1027433378 /nfs/dbraw/zinc/43/33/78/1027433378.db2.gz ZIEZLOPAMITGBH-IBGZPJMESA-N 0 3 326.415 4.063 20 30 EIEDHN C=C(C)COc1cc(CNCc2cc(COC)cs2)ccc1OC ZINC000657659246 1027440245 /nfs/dbraw/zinc/44/02/45/1027440245.db2.gz UFHSFLZKYZDUEV-UHFFFAOYSA-N 0 3 347.480 4.148 20 30 EIEDHN FC(F)(F)c1ccc(C#CCNCc2cccc3[nH]ccc32)cc1 ZINC000237870213 1027735386 /nfs/dbraw/zinc/73/53/86/1027735386.db2.gz SORJNXVINPIWNI-UHFFFAOYSA-N 0 3 328.337 4.328 20 30 EIEDHN CC(C)(C#N)CCCCN1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444593826 1027881295 /nfs/dbraw/zinc/88/12/95/1027881295.db2.gz HNWZWHMBMGBOJN-UHFFFAOYSA-N 0 3 332.536 4.044 20 30 EIEDHN CN(CCCCC(C)(C)C#N)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000444647804 1027915436 /nfs/dbraw/zinc/91/54/36/1027915436.db2.gz FUUHPBXYAHHQPM-LJQANCHMSA-N 0 3 342.462 4.300 20 30 EIEDHN CC(C)(C)[C@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000522556280 1028001058 /nfs/dbraw/zinc/00/10/58/1028001058.db2.gz XGRXNDQULAMXSI-SFHVURJKSA-N 0 3 341.499 4.081 20 30 EIEDHN C=CC[C@@H]1N(Cc2nnc(-c3ccc(OC)cc3)o2)CCCC1(C)C ZINC000444784972 1028073589 /nfs/dbraw/zinc/07/35/89/1028073589.db2.gz WZQIBBKSVKSARV-KRWDZBQOSA-N 0 3 341.455 4.312 20 30 EIEDHN Cc1cc(C)c(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)c(Cl)c1 ZINC000330253436 1028238856 /nfs/dbraw/zinc/23/88/56/1028238856.db2.gz IWJFXQAITCMOHF-MJEQTWJJSA-N 0 3 336.863 4.090 20 30 EIEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000330271732 1028246524 /nfs/dbraw/zinc/24/65/24/1028246524.db2.gz WKPNMKLGQSIQEH-FGEZKYSXSA-N 0 3 343.254 4.127 20 30 EIEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000155506977 1028445109 /nfs/dbraw/zinc/44/51/09/1028445109.db2.gz HLGJEGGKZCIBMD-HXUWFJFHSA-N 0 3 335.451 4.040 20 30 EIEDHN C=CCCCCN[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000583297415 1028462763 /nfs/dbraw/zinc/46/27/63/1028462763.db2.gz SJTIIJLEMGZMAS-HXUWFJFHSA-N 0 3 343.492 4.125 20 30 EIEDHN CC(C)Oc1ccccc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000524156152 1028724025 /nfs/dbraw/zinc/72/40/25/1028724025.db2.gz NNBQWWWBYUCJHT-UHFFFAOYSA-N 0 3 349.478 4.058 20 30 EIEDHN CC(C)[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1Br ZINC000445905301 1028995492 /nfs/dbraw/zinc/99/54/92/1028995492.db2.gz XXZZLRCNUWAUKS-ZDUSSCGKSA-N 0 3 349.194 4.387 20 30 EIEDHN C=CCCCCCN(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524801805 1029229862 /nfs/dbraw/zinc/22/98/62/1029229862.db2.gz NEFSHNQSXAHQDE-FQEVSTJZSA-N 0 3 343.515 4.039 20 30 EIEDHN C=CC[C@H](CO)N[C@@H](CC)c1ccc(Br)cc1Cl ZINC000343490802 1029356524 /nfs/dbraw/zinc/35/65/24/1029356524.db2.gz AYBAFJLOXQQJAN-RISCZKNCSA-N 0 3 332.669 4.080 20 30 EIEDHN C=CCN1CCC(Nc2ccc3cccc(Br)c3n2)CC1 ZINC000301702400 1029793695 /nfs/dbraw/zinc/79/36/95/1029793695.db2.gz UGUDTTFWSDMDGD-UHFFFAOYSA-N 0 3 346.272 4.060 20 30 EIEDHN C[C@@H](O)CN(Cc1ccccc1C#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441243058 1029986689 /nfs/dbraw/zinc/98/66/89/1029986689.db2.gz WDEPROCLFKZXOP-HZPDHXFCSA-N 0 3 342.870 4.026 20 30 EIEDHN N#Cc1ccc(F)c(CN[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000611938113 1030419125 /nfs/dbraw/zinc/41/91/25/1030419125.db2.gz JCOQYRRMVKOJTQ-OAQYLSRUSA-N 0 3 337.442 4.014 20 30 EIEDHN COc1ccc(OC2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000527190799 1030546595 /nfs/dbraw/zinc/54/65/95/1030546595.db2.gz LWPDQLFDHFEXDI-MRXNPFEDSA-N 0 3 336.435 4.171 20 30 EIEDHN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)n1C(C)C ZINC000190925665 1030591323 /nfs/dbraw/zinc/59/13/23/1030591323.db2.gz LHSNJZQVSOIFIX-MRXNPFEDSA-N 0 3 332.407 4.119 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c(Oc3ccncc3)c2)n1 ZINC000115901048 1030732289 /nfs/dbraw/zinc/73/22/89/1030732289.db2.gz GUGWUAWMVGWJEW-MRXNPFEDSA-N 0 3 349.415 4.437 20 30 EIEDHN Cc1[nH]c2ccccc2c1C1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191263321 1030836123 /nfs/dbraw/zinc/83/61/23/1030836123.db2.gz ZSRBJAYOZIXWLG-UHFFFAOYSA-N 0 3 332.451 4.066 20 30 EIEDHN N#Cc1ccc(C2(NCc3cc(F)cc(Cl)c3)CCOCC2)cc1 ZINC000527808385 1030854798 /nfs/dbraw/zinc/85/47/98/1030854798.db2.gz GTEZLLKFCITORT-UHFFFAOYSA-N 0 3 344.817 4.146 20 30 EIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)C(C)(C)C ZINC000532489218 1031221980 /nfs/dbraw/zinc/22/19/80/1031221980.db2.gz QBGARZYVFOAZSC-HUUCEWRRSA-N 0 3 347.528 4.386 20 30 EIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000532489216 1031222114 /nfs/dbraw/zinc/22/21/14/1031222114.db2.gz QBGARZYVFOAZSC-CABCVRRESA-N 0 3 347.528 4.386 20 30 EIEDHN C[C@@H](c1cccc(-c2ccncc2)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000364510724 1031328861 /nfs/dbraw/zinc/32/88/61/1031328861.db2.gz WATBMCILXJYSKN-INIZCTEOSA-N 0 3 330.435 4.152 20 30 EIEDHN Cc1cc(CN(C)Cc2ccc(C#N)cc2)cc(OC(F)(F)F)c1 ZINC001143463650 1031396555 /nfs/dbraw/zinc/39/65/55/1031396555.db2.gz KFZQWHPUASCTRZ-UHFFFAOYSA-N 0 3 334.341 4.397 20 30 EIEDHN N#CC(C(=O)c1cc2c(s1)CCC2)c1ccc(C(F)(F)F)cn1 ZINC000123613263 1031473988 /nfs/dbraw/zinc/47/39/88/1031473988.db2.gz UGIBKWWEXCQYMH-NSHDSACASA-N 0 3 336.338 4.141 20 30 EIEDHN N#Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2CCOC2)cc1F ZINC000365256368 1031573692 /nfs/dbraw/zinc/57/36/92/1031573692.db2.gz NCMNGZHPQJMTBS-LPHOPBHVSA-N 0 3 344.817 4.218 20 30 EIEDHN C[C@H](N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000453296455 1031814876 /nfs/dbraw/zinc/81/48/76/1031814876.db2.gz YSSUXCULQKNOAA-UGSOOPFHSA-N 0 3 348.368 4.351 20 30 EIEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000453322878 1031850980 /nfs/dbraw/zinc/85/09/80/1031850980.db2.gz ACXUTRAUUWGBQB-GDLCADMTSA-N 0 3 336.229 4.189 20 30 EIEDHN N#CC(C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000528905955 1031932578 /nfs/dbraw/zinc/93/25/78/1031932578.db2.gz APNBJOHYDVTZBS-ARFHVFGLSA-N 0 3 333.366 4.072 20 30 EIEDHN CCOc1cccc(CCC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000528928744 1031951982 /nfs/dbraw/zinc/95/19/82/1031951982.db2.gz OSPNMJCLXHCQAT-MRXNPFEDSA-N 0 3 334.375 4.036 20 30 EIEDHN N#Cc1ccc(CN[C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cc1F ZINC000453392059 1031958005 /nfs/dbraw/zinc/95/80/05/1031958005.db2.gz UFPOKAQEOUXQEZ-YWZLYKJASA-N 0 3 342.389 4.094 20 30 EIEDHN C[C@H](COc1ccc(F)cc1F)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512616843 1033521373 /nfs/dbraw/zinc/52/13/73/1033521373.db2.gz CZMITGYABRHJPH-NEPJUHHUSA-N 0 3 334.341 4.094 20 30 EIEDHN C[C@H](N[C@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512668892 1033671303 /nfs/dbraw/zinc/67/13/03/1033671303.db2.gz XDGAAZOFUGMETR-HRAATJIYSA-N 0 3 337.442 4.185 20 30 EIEDHN CCN(CC)[C@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512673191 1033680165 /nfs/dbraw/zinc/68/01/65/1033680165.db2.gz PGLQWQDYZSGXQR-RDTXWAMCSA-N 0 3 329.419 4.024 20 30 EIEDHN Cc1ccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1F ZINC000433040022 1033709727 /nfs/dbraw/zinc/70/97/27/1033709727.db2.gz OOHUWUAZPNCIMS-IBGZPJMESA-N 0 3 339.414 4.097 20 30 EIEDHN Cc1ccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)cc1F ZINC000433040023 1033710998 /nfs/dbraw/zinc/71/09/98/1033710998.db2.gz OOHUWUAZPNCIMS-LJQANCHMSA-N 0 3 339.414 4.097 20 30 EIEDHN C=C(C)CCN[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000419234915 1033819656 /nfs/dbraw/zinc/81/96/56/1033819656.db2.gz IQESIACLSPGBLH-FQEVSTJZSA-N 0 3 338.451 4.239 20 30 EIEDHN C=CCC[C@@H](NCc1ccnc(N)c1)c1ccc(C(F)(F)F)cc1 ZINC000411476592 1033925269 /nfs/dbraw/zinc/92/52/69/1033925269.db2.gz BYHAHZNNCNALPH-MRXNPFEDSA-N 0 3 335.373 4.310 20 30 EIEDHN N#CCOc1ccc(CNCc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000178789229 1034123270 /nfs/dbraw/zinc/12/32/70/1034123270.db2.gz ZAAWZZJTTPDGAM-UHFFFAOYSA-N 0 3 338.304 4.037 20 30 EIEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419319702 1034251920 /nfs/dbraw/zinc/25/19/20/1034251920.db2.gz CYPRVXTWKBXKAB-SJORKVTESA-N 0 3 338.455 4.255 20 30 EIEDHN N#Cc1ccc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000513185178 1034831523 /nfs/dbraw/zinc/83/15/23/1034831523.db2.gz SGLVFPCYRXMKCF-IBGZPJMESA-N 0 3 325.843 4.461 20 30 EIEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1cc2ccccc2o1 ZINC000182629355 1034965511 /nfs/dbraw/zinc/96/55/11/1034965511.db2.gz LPKSVOZWOYPLTL-CQSZACIVSA-N 0 3 336.391 4.043 20 30 EIEDHN C=CCC[C@@H](N[C@H]1CCN(c2ncccc2Cl)C1)c1ccco1 ZINC000513662683 1035096569 /nfs/dbraw/zinc/09/65/69/1035096569.db2.gz YRIDDMWZWTVOPR-GOEBONIOSA-N 0 3 331.847 4.204 20 30 EIEDHN COc1ccc(CN(CCc2ccccn2)CCC(C)(C)C#N)cc1 ZINC000280297508 1035226130 /nfs/dbraw/zinc/22/61/30/1035226130.db2.gz FNRYUBVUQFIEIK-UHFFFAOYSA-N 0 3 337.467 4.075 20 30 EIEDHN Cc1ccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1C ZINC000419838077 1035423754 /nfs/dbraw/zinc/42/37/54/1035423754.db2.gz NJPYXFKIALDUEH-CQSZACIVSA-N 0 3 327.453 4.303 20 30 EIEDHN CC(C)[C@@H](O)[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594988709 1035518236 /nfs/dbraw/zinc/51/82/36/1035518236.db2.gz BVZORDGWFHMMDN-NHCUHLMSSA-N 0 3 336.479 4.336 20 30 EIEDHN N#CC1(CCCN2CC3(CCCC3)[C@H]2c2ccco2)CCOCC1 ZINC000595678310 1035766813 /nfs/dbraw/zinc/76/68/13/1035766813.db2.gz XWZMAYZSCUROFR-GOSISDBHSA-N 0 3 328.456 4.297 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN3CCCC[C@@H]3CC3CCC3)o2)c1 ZINC000595870690 1035804503 /nfs/dbraw/zinc/80/45/03/1035804503.db2.gz JJZDIKAFJRZAEG-GOSISDBHSA-N 0 3 336.439 4.153 20 30 EIEDHN C[C@@H](CNc1cccc(Cl)c1C#N)N1CCc2ccccc2C1 ZINC000502106564 1035850932 /nfs/dbraw/zinc/85/09/32/1035850932.db2.gz COVAZLPYMSBNHU-AWEZNQCLSA-N 0 3 325.843 4.070 20 30 EIEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(OC(F)F)c1 ZINC000618807411 1035962537 /nfs/dbraw/zinc/96/25/37/1035962537.db2.gz UKFLKAJIVAXACH-KZULUSFZSA-N 0 3 328.362 4.498 20 30 EIEDHN N#CCC1CCN(Cc2cc3cc(Br)ccc3o2)CC1 ZINC000597083773 1036098757 /nfs/dbraw/zinc/09/87/57/1036098757.db2.gz WXBSKMYNDXJLCU-UHFFFAOYSA-N 0 3 333.229 4.321 20 30 EIEDHN N#CC1(c2ccc(CN[C@@H](c3ccccc3)C3(CO)CCC3)cc2)CC1 ZINC000597136650 1036120142 /nfs/dbraw/zinc/12/01/42/1036120142.db2.gz ZRUQPGZATWVRFK-NRFANRHFSA-N 0 3 346.474 4.235 20 30 EIEDHN N#Cc1ccc(C2=CCN(Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000502497123 1036284156 /nfs/dbraw/zinc/28/41/56/1036284156.db2.gz WRIQCXPCWDWYBE-UHFFFAOYSA-N 0 3 340.373 4.449 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000602572101 1036499210 /nfs/dbraw/zinc/49/92/10/1036499210.db2.gz TUFFEWKJKVDUJW-IRXDYDNUSA-N 0 3 342.508 4.310 20 30 EIEDHN C[C@]1(C2CCCCC2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000603028190 1036709726 /nfs/dbraw/zinc/70/97/26/1036709726.db2.gz AWKGMTSXZRRQOX-HXUWFJFHSA-N 0 3 336.439 4.153 20 30 EIEDHN COc1ccc([C@H](Cc2ccccc2)NCc2ccnc(C#N)c2)cc1 ZINC000589291184 1036733778 /nfs/dbraw/zinc/73/37/78/1036733778.db2.gz SMJZWDUPRAZOON-QFIPXVFZSA-N 0 3 343.430 4.035 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000598715850 1036758633 /nfs/dbraw/zinc/75/86/33/1036758633.db2.gz UGGGPYPGGGETIT-RBUKOAKNSA-N 0 3 342.870 4.320 20 30 EIEDHN CCCCCCC[C@H](C)NC(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001279955146 1036945734 /nfs/dbraw/zinc/94/57/34/1036945734.db2.gz WRPDGNIZSAPGOO-KRWDZBQOSA-N 0 3 335.536 4.005 20 30 EIEDHN COc1ccccc1C[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000170960602 1036960707 /nfs/dbraw/zinc/96/07/07/1036960707.db2.gz WYCZPQGELBRSPA-GDBMZVCRSA-N 0 3 348.402 4.282 20 30 EIEDHN CC(C)(C#N)c1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000590123868 1036981843 /nfs/dbraw/zinc/98/18/43/1036981843.db2.gz JINUCNQDWXKOCC-OAQYLSRUSA-N 0 3 348.490 4.481 20 30 EIEDHN CC[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C(=O)OC)cc1 ZINC000590254359 1037022620 /nfs/dbraw/zinc/02/26/20/1037022620.db2.gz KZVANBXESWNAAP-PMACEKPBSA-N 0 3 334.419 4.073 20 30 EIEDHN CCc1cccc2c1OCC[C@@H]2N[C@H](C)c1ccc(OCC#N)cc1 ZINC000271912433 1037052334 /nfs/dbraw/zinc/05/23/34/1037052334.db2.gz YFGKWTYKHXHDFO-QRWLVFNGSA-N 0 3 336.435 4.326 20 30 EIEDHN CC(C)(C)Oc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)nc1 ZINC000645953915 1037087875 /nfs/dbraw/zinc/08/78/75/1037087875.db2.gz ITKLNUXQEMKTAT-INIZCTEOSA-N 0 3 345.402 4.297 20 30 EIEDHN CC(C)(C#N)CCN(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000272071024 1037093761 /nfs/dbraw/zinc/09/37/61/1037093761.db2.gz YYNHUOHBTILRTK-GOSISDBHSA-N 0 3 328.481 4.224 20 30 EIEDHN CC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1cc(C)ccc1C ZINC000599640150 1037107379 /nfs/dbraw/zinc/10/73/79/1037107379.db2.gz DVSHZGQUWVYLKV-GOSISDBHSA-N 0 3 339.439 4.064 20 30 EIEDHN Cc1nc(-c2cc3c(s2)CCN(C[C@@H](C)CCC#N)C3)cs1 ZINC000590595588 1037114996 /nfs/dbraw/zinc/11/49/96/1037114996.db2.gz QQJJJDJIFRMUKB-LBPRGKRZSA-N 0 3 331.510 4.478 20 30 EIEDHN C=C(C)COc1cc(CNCc2cccc(OCC)c2)ccc1OC ZINC000057963993 1037356406 /nfs/dbraw/zinc/35/64/06/1037356406.db2.gz CMYKQVPBBVPALA-UHFFFAOYSA-N 0 3 341.451 4.339 20 30 EIEDHN COc1ccccc1[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000171402869 1037392027 /nfs/dbraw/zinc/39/20/27/1037392027.db2.gz MJILDGONAGJWDY-ZFWWWQNUSA-N 0 3 334.375 4.206 20 30 EIEDHN C=CC[C@H](C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000488704516 1037716589 /nfs/dbraw/zinc/71/65/89/1037716589.db2.gz SHLOECJIGLNMJR-BWAGFHJFSA-N 0 3 348.490 4.298 20 30 EIEDHN C=CCN1CCC(NC(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000592070460 1037732076 /nfs/dbraw/zinc/73/20/76/1037732076.db2.gz SRXCRSNHBMLWNN-UHFFFAOYSA-N 0 3 326.484 4.115 20 30 EIEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000605738784 1037858146 /nfs/dbraw/zinc/85/81/46/1037858146.db2.gz XBEJPBIVVKTNFP-GFCCVEGCSA-N 0 3 329.271 4.069 20 30 EIEDHN N#Cc1cccc(CN[C@H]2CCCOc3cc4c(cc32)CCCC4)c1 ZINC000489564936 1038137145 /nfs/dbraw/zinc/13/71/45/1038137145.db2.gz SOMJTBVFZKVNOV-NRFANRHFSA-N 0 3 332.447 4.441 20 30 EIEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2CCC[C@H](C#N)C2)c2ccccc21 ZINC000593692665 1038152579 /nfs/dbraw/zinc/15/25/79/1038152579.db2.gz YRANEJQHZKDSIW-SAKMYQHLSA-N 0 3 340.467 4.229 20 30 EIEDHN CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1(C)CCCC1 ZINC000489874823 1038264748 /nfs/dbraw/zinc/26/47/48/1038264748.db2.gz QPHFODNOKAXLGU-UHFFFAOYSA-N 0 3 345.512 4.092 20 30 EIEDHN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594429657 1038330352 /nfs/dbraw/zinc/33/03/52/1038330352.db2.gz VJFRXINWVHENFP-OALUTQOASA-N 0 3 341.499 4.059 20 30 EIEDHN C[C@@H](c1ccc2ccccc2c1)N(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594431568 1038334497 /nfs/dbraw/zinc/33/44/97/1038334497.db2.gz NZJPVWKZDBOSRB-HRAATJIYSA-N 0 3 349.478 4.303 20 30 EIEDHN CC(C)c1ccc([C@H]2CCCCN2C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594443849 1038336989 /nfs/dbraw/zinc/33/69/89/1038336989.db2.gz VNPZUMMLZTWHQQ-WOJBJXKFSA-N 0 3 341.499 4.275 20 30 EIEDHN COC(=O)c1ccc2c(c1)[C@H](N[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000594496814 1038344691 /nfs/dbraw/zinc/34/46/91/1038344691.db2.gz WNWUOHPTIMBBOP-VBKZILBWSA-N 0 3 334.419 4.073 20 30 EIEDHN CN(C)C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 ZINC000594506758 1038350660 /nfs/dbraw/zinc/35/06/60/1038350660.db2.gz XUCKYOSYJKXIRF-FQEVSTJZSA-N 0 3 339.458 4.019 20 30 EIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000594515591 1038357171 /nfs/dbraw/zinc/35/71/71/1038357171.db2.gz ODJSTJNESWVFAF-OAHLLOKOSA-N 0 3 345.446 4.173 20 30 EIEDHN CC[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(C(=O)OC)cc1 ZINC000594519192 1038359879 /nfs/dbraw/zinc/35/98/79/1038359879.db2.gz VGWHBYGTBHJOMZ-FQEVSTJZSA-N 0 3 348.446 4.465 20 30 EIEDHN CCOc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1OC ZINC000594520882 1038360074 /nfs/dbraw/zinc/36/00/74/1038360074.db2.gz QWHHQJRFSUKYSO-UHFFFAOYSA-N 0 3 336.435 4.135 20 30 EIEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C1(C)CCCC1 ZINC000490176651 1038372406 /nfs/dbraw/zinc/37/24/06/1038372406.db2.gz QJMNKQLTCRPOHB-HNNXBMFYSA-N 0 3 345.512 4.141 20 30 EIEDHN CC[C@H](C)c1ccc([C@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1 ZINC000424062632 1038482442 /nfs/dbraw/zinc/48/24/42/1038482442.db2.gz HIHYFORQMHFYDV-KFKAGJAMSA-N 0 3 329.488 4.035 20 30 EIEDHN CC[C@H](C)c1ccc([C@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1 ZINC000424062634 1038485515 /nfs/dbraw/zinc/48/55/15/1038485515.db2.gz HIHYFORQMHFYDV-ZYSHUDEJSA-N 0 3 329.488 4.035 20 30 EIEDHN C=CCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1OC ZINC000594968407 1038551204 /nfs/dbraw/zinc/55/12/04/1038551204.db2.gz RQSQMAWQCVFZNW-UHFFFAOYSA-N 0 3 336.435 4.157 20 30 EIEDHN CC(C)(NCc1cc(Br)cs1)c1cccc(C#N)c1 ZINC000594966526 1038560497 /nfs/dbraw/zinc/56/04/97/1038560497.db2.gz MRFORKYPILZMPQ-UHFFFAOYSA-N 0 3 335.270 4.407 20 30 EIEDHN COc1ccc(CNCc2ccc(N3CCC(C)CC3)cc2)cc1C#N ZINC000174371985 1038922560 /nfs/dbraw/zinc/92/25/60/1038922560.db2.gz XFEXLFZVDULZOJ-UHFFFAOYSA-N 0 3 349.478 4.093 20 30 EIEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000539389806 1039045721 /nfs/dbraw/zinc/04/57/21/1039045721.db2.gz CJHHEWOFNFEAKH-RBUKOAKNSA-N 0 3 343.515 4.037 20 30 EIEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000539389804 1039047386 /nfs/dbraw/zinc/04/73/86/1039047386.db2.gz CJHHEWOFNFEAKH-OALUTQOASA-N 0 3 343.515 4.037 20 30 EIEDHN C=C[C@H](CC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000505586999 1039984436 /nfs/dbraw/zinc/98/44/36/1039984436.db2.gz KZOZPHPTORHBIB-NJNPRVFISA-N 0 3 336.479 4.154 20 30 EIEDHN CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1 ZINC000553315102 1040122331 /nfs/dbraw/zinc/12/23/31/1040122331.db2.gz PKGPNQUXUZEGTI-ZDUSSCGKSA-N 0 3 342.468 4.000 20 30 EIEDHN N#CC(C(=O)CCC1CCCC1)C(=O)Nc1cccc2ccccc21 ZINC000128676190 1040277309 /nfs/dbraw/zinc/27/73/09/1040277309.db2.gz QZCNHUZAJWFVBD-SFHVURJKSA-N 0 3 334.419 4.458 20 30 EIEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(-n2cccn2)cc1 ZINC000551565702 1040418754 /nfs/dbraw/zinc/41/87/54/1040418754.db2.gz FFJDIJYHFGIIRB-MRXNPFEDSA-N 0 3 328.419 4.084 20 30 EIEDHN N#CC(C(=O)c1ccc2ccc(Cl)cc2n1)c1nc2ccccc2[nH]1 ZINC000083937565 1040483897 /nfs/dbraw/zinc/48/38/97/1040483897.db2.gz ONHPJFIZWSFJLE-ZDUSSCGKSA-N 0 3 346.777 4.255 20 30 EIEDHN Cc1cccc2c1ncc(C)c2N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000462489066 1040660321 /nfs/dbraw/zinc/66/03/21/1040660321.db2.gz XPNOPBOBZOSHQT-HXUWFJFHSA-N 0 3 343.430 4.301 20 30 EIEDHN CCN(Cc1cc(C#N)n(C)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000483186749 1040764070 /nfs/dbraw/zinc/76/40/70/1040764070.db2.gz RJWJRXXKPOVRSK-ZDUSSCGKSA-N 0 3 335.373 4.499 20 30 EIEDHN COc1cccc2c1CC[C@H]2NCc1ccc(C#N)cc1C(F)(F)F ZINC000515564109 1040870139 /nfs/dbraw/zinc/87/01/39/1040870139.db2.gz HBMZDRGHDOCFCL-QGZVFWFLSA-N 0 3 346.352 4.363 20 30 EIEDHN CN(CC#Cc1ccccc1)CCCc1cc(-c2ccccc2)no1 ZINC000483569657 1040899363 /nfs/dbraw/zinc/89/93/63/1040899363.db2.gz UYJXLLAJDVPULL-UHFFFAOYSA-N 0 3 330.431 4.258 20 30 EIEDHN C=CCc1cc(CN[C@H]2CCCc3sccc32)cc(OC)c1O ZINC000160989053 1040899567 /nfs/dbraw/zinc/89/95/67/1040899567.db2.gz YVNZNZJABSUBTE-INIZCTEOSA-N 0 3 329.465 4.358 20 30 EIEDHN CN(CCc1cccc(Br)c1)Cc1ccc(C#N)s1 ZINC000462824153 1041003233 /nfs/dbraw/zinc/00/32/33/1041003233.db2.gz BQEBMIBYAGBFPY-UHFFFAOYSA-N 0 3 335.270 4.057 20 30 EIEDHN N#CC(C(=O)c1ccc(F)c2ccccc12)c1cnc2ccccc2n1 ZINC000483989486 1041090145 /nfs/dbraw/zinc/09/01/45/1041090145.db2.gz AFMPPAANWLNIGP-INIZCTEOSA-N 0 3 341.345 4.412 20 30 EIEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000554452538 1041125374 /nfs/dbraw/zinc/12/53/74/1041125374.db2.gz POGVCVIZZMNSNR-PQJGELLGSA-N 0 3 341.458 4.317 20 30 EIEDHN N#CCC[C@@H](C#N)CNC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000554452537 1041127537 /nfs/dbraw/zinc/12/75/37/1041127537.db2.gz POGVCVIZZMNSNR-IYXGRNATSA-N 0 3 341.458 4.317 20 30 EIEDHN Clc1ccc(C#CCN[C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000538193804 1041161441 /nfs/dbraw/zinc/16/14/41/1041161441.db2.gz GOSFAKPCSWVBLC-AZUAARDMSA-N 0 3 325.839 4.059 20 30 EIEDHN Cc1c2ccccc2oc1[C@@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC000484337914 1041216059 /nfs/dbraw/zinc/21/60/59/1041216059.db2.gz JCLIWZOGBPDWFD-OAHLLOKOSA-N 0 3 347.418 4.292 20 30 EIEDHN C[C@@H]([NH2+]Cc1ncccc1[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000554860809 1041451868 /nfs/dbraw/zinc/45/18/68/1041451868.db2.gz GFNOMNNKEMDYSN-OAHLLOKOSA-N 0 3 329.403 4.177 20 30 EIEDHN C=CCN(CC1CCCCC1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000484859390 1041470715 /nfs/dbraw/zinc/47/07/15/1041470715.db2.gz SEKQSCXMXYKMLV-UHFFFAOYSA-N 0 3 340.511 4.491 20 30 EIEDHN C=CCOc1ccccc1CN1CCC(OCC2CCCC2)CC1 ZINC000538763389 1041536216 /nfs/dbraw/zinc/53/62/16/1041536216.db2.gz ASVCPZFPGLINFF-UHFFFAOYSA-N 0 3 329.484 4.423 20 30 EIEDHN C[C@H](NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000540700928 1041604061 /nfs/dbraw/zinc/60/40/61/1041604061.db2.gz ARHNIEQIUUMWGU-KXBFYZLASA-N 0 3 341.430 4.168 20 30 EIEDHN C[C@@H](NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000540700924 1041604386 /nfs/dbraw/zinc/60/43/86/1041604386.db2.gz ARHNIEQIUUMWGU-BEFAXECRSA-N 0 3 341.430 4.168 20 30 EIEDHN C[C@@H](CC(F)(F)F)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000463726410 1041722265 /nfs/dbraw/zinc/72/22/65/1041722265.db2.gz GWHOZGDZRURSKY-QMMMGPOBSA-N 0 3 333.247 4.197 20 30 EIEDHN CN(CCOc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000506134070 1041917163 /nfs/dbraw/zinc/91/71/63/1041917163.db2.gz CUKAGOHUXGPLJB-UHFFFAOYSA-N 0 3 335.234 4.376 20 30 EIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(OC(F)(F)F)cc1)CC2 ZINC000518015454 1042313095 /nfs/dbraw/zinc/31/30/95/1042313095.db2.gz RCSHUXPZIJZLIR-QGZVFWFLSA-N 0 3 332.325 4.234 20 30 EIEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2CCOCC2)c(Cl)c1 ZINC000784351068 1042501781 /nfs/dbraw/zinc/50/17/81/1042501781.db2.gz IBAMOGKJTZXGSK-HXUWFJFHSA-N 0 3 340.854 4.469 20 30 EIEDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437894212 1042561670 /nfs/dbraw/zinc/56/16/70/1042561670.db2.gz HHQCTMAUSXETQV-LSDHHAIUSA-N 0 3 340.439 4.266 20 30 EIEDHN Cc1cccc(-c2n[nH]cc2CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000506547248 1042587417 /nfs/dbraw/zinc/58/74/17/1042587417.db2.gz PVHFLPBTMVJXCM-UHFFFAOYSA-N 0 3 342.446 4.421 20 30 EIEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000271975869 1042601223 /nfs/dbraw/zinc/60/12/23/1042601223.db2.gz XYCRFIGRCGSVLI-FZKQIMNGSA-N 0 3 340.398 4.270 20 30 EIEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccccc3Cl)C2)c(F)c1 ZINC000518818654 1042708936 /nfs/dbraw/zinc/70/89/36/1042708936.db2.gz LQSDCIGPEYLIFD-MRXNPFEDSA-N 0 3 343.833 4.109 20 30 EIEDHN C=CCOc1ccccc1CN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000506640394 1042719388 /nfs/dbraw/zinc/71/93/88/1042719388.db2.gz YRSZSSJQJRPTGO-UHFFFAOYSA-N 0 3 345.446 4.417 20 30 EIEDHN Cc1cc(CN[C@H]2CCc3c2cccc3Br)ccc1C#N ZINC000443986902 1042734570 /nfs/dbraw/zinc/73/45/70/1042734570.db2.gz GLAAUWZFTUVTSM-SFHVURJKSA-N 0 3 341.252 4.406 20 30 EIEDHN N#Cc1ccc(CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000067401282 1042882654 /nfs/dbraw/zinc/88/26/54/1042882654.db2.gz XKDMTZXQZWAZHK-HXUWFJFHSA-N 0 3 340.854 4.157 20 30 EIEDHN CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000008485258 1043101903 /nfs/dbraw/zinc/10/19/03/1043101903.db2.gz HMFBVUPXURGFBO-UHFFFAOYSA-N 0 3 345.512 4.092 20 30 EIEDHN C=CC[C@H](C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1 ZINC000427772515 1043193867 /nfs/dbraw/zinc/19/38/67/1043193867.db2.gz VJNAABVSXBYDPI-QIJUGHKUSA-N 0 3 348.490 4.126 20 30 EIEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(Br)cc2Cl)C1 ZINC000185804591 1043219945 /nfs/dbraw/zinc/21/99/45/1043219945.db2.gz LUHZILCYKFUUEJ-ZWNOBZJWSA-N 0 3 327.653 4.274 20 30 EIEDHN COc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1OC1CCCC1 ZINC000185824494 1043221967 /nfs/dbraw/zinc/22/19/67/1043221967.db2.gz NHCJIUORTBDOTN-DOTOQJQBSA-N 0 3 328.456 4.189 20 30 EIEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OCC(F)(F)F)c1 ZINC000185862406 1043226551 /nfs/dbraw/zinc/22/65/51/1043226551.db2.gz FMSNEDNJNDMOLL-DZGCQCFKSA-N 0 3 326.362 4.108 20 30 EIEDHN C=C(C)CN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000730019591 1043435847 /nfs/dbraw/zinc/43/58/47/1043435847.db2.gz MIWBOHAHFAUGKA-UHFFFAOYSA-N 0 3 336.479 4.189 20 30 EIEDHN CCS[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)C ZINC000730421135 1043512786 /nfs/dbraw/zinc/51/27/86/1043512786.db2.gz KGNQQGFFJRISRN-ABAIWWIYSA-N 0 3 336.457 4.389 20 30 EIEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](CCO)c1ccccc1 ZINC000521321825 1043707948 /nfs/dbraw/zinc/70/79/48/1043707948.db2.gz JPSCYTYXLVOENT-SFHVURJKSA-N 0 3 348.368 4.133 20 30 EIEDHN C=CCc1cc(CNCc2ccnc3ccccc23)cc(OC)c1OC ZINC000731361002 1043741240 /nfs/dbraw/zinc/74/12/40/1043741240.db2.gz UZWOCONBUZHFLK-UHFFFAOYSA-N 0 3 348.446 4.270 20 30 EIEDHN N#Cc1ccc(CN2CCCN(Cc3ccc4occc4c3)CC2)cc1 ZINC000347690258 1043758541 /nfs/dbraw/zinc/75/85/41/1043758541.db2.gz XAOUCVLBVFGYAU-UHFFFAOYSA-N 0 3 345.446 4.012 20 30 EIEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1F ZINC000192081191 1043869372 /nfs/dbraw/zinc/86/93/72/1043869372.db2.gz LLMGCBYCXLAFDA-ZWKOTPCHSA-N 0 3 348.780 4.110 20 30 EIEDHN C[C@@H](NCc1ccc(OCC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000067449804 1043953544 /nfs/dbraw/zinc/95/35/44/1043953544.db2.gz JIJZFPZAJIWVOY-CYBMUJFWSA-N 0 3 334.341 4.350 20 30 EIEDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000245778502 1044186549 /nfs/dbraw/zinc/18/65/49/1044186549.db2.gz ZONBEPVSGDDPTP-WMLDXEAASA-N 0 3 343.496 4.173 20 30 EIEDHN CCc1ccc(CNCc2ccc(OC)c(O[C@@H](C#N)CC)c2)s1 ZINC000733330320 1044197131 /nfs/dbraw/zinc/19/71/31/1044197131.db2.gz UHLJMCGYUZZPIS-OAHLLOKOSA-N 0 3 344.480 4.290 20 30 EIEDHN CCOc1ccc(CNCc2cccc(O[C@H](C#N)CC)c2)cc1F ZINC000785467756 1044255977 /nfs/dbraw/zinc/25/59/77/1044255977.db2.gz DHDMVBNHWANQAO-KRWDZBQOSA-N 0 3 342.414 4.195 20 30 EIEDHN C[C@H](C/N=C/c1c(O)ccc2ccccc21)N1CCc2ccccc2C1 ZINC000914558314 1044481184 /nfs/dbraw/zinc/48/11/84/1044481184.db2.gz SSLYWGFGDWWMQD-HIQXPHMNSA-N 0 3 344.458 4.411 20 30 EIEDHN C[C@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](C)C1 ZINC000443644945 1044602493 /nfs/dbraw/zinc/60/24/93/1044602493.db2.gz ZOVRZXRHSUDYJB-DLBZAZTESA-N 0 3 337.467 4.106 20 30 EIEDHN C=CCN(CCc1ccco1)Cc1ccc(OC(F)F)c(F)c1 ZINC000495185257 1044763509 /nfs/dbraw/zinc/76/35/09/1044763509.db2.gz UHKIMDVOGWYWGS-UHFFFAOYSA-N 0 3 325.330 4.251 20 30 EIEDHN CN(CC#Cc1ccc(F)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000676556604 1044791000 /nfs/dbraw/zinc/79/10/00/1044791000.db2.gz SONSAMUCQWNXQV-IFMALSPDSA-N 0 3 337.438 4.277 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc4c(c3)CCCC4)nc21 ZINC000735790717 1044866277 /nfs/dbraw/zinc/86/62/77/1044866277.db2.gz PEFWIZAYCNYWGQ-SFHVURJKSA-N 0 3 343.430 4.169 20 30 EIEDHN N#CC(C(=O)CCc1cccs1)c1nc2ccccc2n1C(F)F ZINC000193285185 1044879774 /nfs/dbraw/zinc/87/97/74/1044879774.db2.gz ARZMGYVMKPPSQL-LBPRGKRZSA-N 0 3 345.374 4.302 20 30 EIEDHN Cc1ccc(CN2CCSCC2)cc1NCc1ccc(C#N)cc1 ZINC000125420618 1044994379 /nfs/dbraw/zinc/99/43/79/1044994379.db2.gz BVGIWKGXMMTZIW-UHFFFAOYSA-N 0 3 337.492 4.028 20 30 EIEDHN C=CCC1([NH2+]Cc2nc(=O)c3c4c(sc3[n-]2)CCC4)CCCCC1 ZINC000625936031 1045042544 /nfs/dbraw/zinc/04/25/44/1045042544.db2.gz XJNPPHKGILJZOC-UHFFFAOYSA-N 0 3 343.496 4.254 20 30 EIEDHN CCOc1ccc(/C=N/C[C@H](c2ccsc2)N(CC)CC)c(O)c1 ZINC000915114862 1045114215 /nfs/dbraw/zinc/11/42/15/1045114215.db2.gz RVRVSVYFPJYXMU-BAOGCXAUSA-N 0 3 346.496 4.354 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC/C=C/c1ccccc1 ZINC000739141827 1045122726 /nfs/dbraw/zinc/12/27/26/1045122726.db2.gz DWCXTHQXSFQVPE-OPGUWZMBSA-N 0 3 329.403 4.243 20 30 EIEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000739144830 1045125970 /nfs/dbraw/zinc/12/59/70/1045125970.db2.gz XZZUAHPKYWJLRT-APWZRJJASA-N 0 3 342.483 4.319 20 30 EIEDHN C=CCOc1ccc(CN[C@H]2CCc3cc(F)c(OC)cc32)cc1 ZINC000509420698 1045148527 /nfs/dbraw/zinc/14/85/27/1045148527.db2.gz ZPAFHZMFSZPFMA-IBGZPJMESA-N 0 3 327.399 4.176 20 30 EIEDHN C=CC[C@H](N[C@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccncc1 ZINC000766018422 1045193194 /nfs/dbraw/zinc/19/31/94/1045193194.db2.gz HSYSGPNIWLHHCU-PBHICJAKSA-N 0 3 342.439 4.075 20 30 EIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H]1CCOc2ccccc21 ZINC000611276540 1045274466 /nfs/dbraw/zinc/27/44/66/1045274466.db2.gz JCSVSKRXDQAIJS-HMXCVIKNSA-N 0 3 332.447 4.324 20 30 EIEDHN CN(Cc1cccc(C#N)c1F)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611371288 1045290985 /nfs/dbraw/zinc/29/09/85/1045290985.db2.gz JEUCGCKNZYSTIX-FPOVZHCZSA-N 0 3 338.426 4.297 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000611391994 1045297888 /nfs/dbraw/zinc/29/78/88/1045297888.db2.gz DNXWWMAHXDVDKI-BHDDXSALSA-N 0 3 332.447 4.446 20 30 EIEDHN CC(=O)N1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000611394401 1045298575 /nfs/dbraw/zinc/29/85/75/1045298575.db2.gz HLPOVZPKNSLVFE-SFTDATJTSA-N 0 3 345.446 4.023 20 30 EIEDHN COc1ccc2c(c1)OCC[C@H]2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393055 1045298852 /nfs/dbraw/zinc/29/88/52/1045298852.db2.gz FEMJPJVFFBQZHC-WOJBJXKFSA-N 0 3 334.419 4.058 20 30 EIEDHN CCCCCn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000611395166 1045300786 /nfs/dbraw/zinc/30/07/86/1045300786.db2.gz OLHPUPZKABDYHH-OAQYLSRUSA-N 0 3 336.483 4.421 20 30 EIEDHN CC(C)C(=O)Nc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611390225 1045302493 /nfs/dbraw/zinc/30/24/93/1045302493.db2.gz LABMIYKCABPGGW-NRFANRHFSA-N 0 3 347.462 4.320 20 30 EIEDHN C[C@@H](Cc1cccc(F)c1)N1CCC(Oc2ccccc2C#N)CC1 ZINC001168494911 1045399633 /nfs/dbraw/zinc/39/96/33/1045399633.db2.gz DUNBVJJSMPAGAE-INIZCTEOSA-N 0 3 338.426 4.172 20 30 EIEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(OC(F)F)cc1 ZINC000272317646 1045412291 /nfs/dbraw/zinc/41/22/91/1045412291.db2.gz VDJNDNFALGGLGC-ZDUSSCGKSA-N 0 3 328.362 4.500 20 30 EIEDHN CC(C)(C)[C@H](NC[C@@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168496215 1045415948 /nfs/dbraw/zinc/41/59/48/1045415948.db2.gz HBYZCAAVOOACEO-RTBURBONSA-N 0 3 344.405 4.247 20 30 EIEDHN CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(OC)c(OC)c1 ZINC000272342577 1045422653 /nfs/dbraw/zinc/42/26/53/1045422653.db2.gz ZTGVOQYQQCZEJI-SFHVURJKSA-N 0 3 336.435 4.305 20 30 EIEDHN C=CC1(CC(=O)N2c3ccccc3CC[C@@H]2CN(C)C)CCCCC1 ZINC001129364759 1045521167 /nfs/dbraw/zinc/52/11/67/1045521167.db2.gz SROZWOBHKWDKLM-LJQANCHMSA-N 0 3 340.511 4.423 20 30 EIEDHN CN(Cc1ccc(N(C)CCC#N)cc1)Cc1cccc(Cl)c1 ZINC000768173783 1045736223 /nfs/dbraw/zinc/73/62/23/1045736223.db2.gz FLTLNJHDUAPQHY-UHFFFAOYSA-N 0 3 327.859 4.322 20 30 EIEDHN C[C@H]1c2ccsc2CCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000768206808 1045742757 /nfs/dbraw/zinc/74/27/57/1045742757.db2.gz IHRBWCRWKQARTC-HNNXBMFYSA-N 0 3 325.481 4.217 20 30 EIEDHN COCCN(Cc1ccc(O[C@H](C)C#N)cc1)[C@@H](C)c1ccccc1 ZINC000768597270 1045825498 /nfs/dbraw/zinc/82/54/98/1045825498.db2.gz QVIZQVDDOLOCRO-MSOLQXFVSA-N 0 3 338.451 4.187 20 30 EIEDHN CC(C)CN(Cc1cccc(C#N)c1F)C[C@H](O)c1ccc(F)cc1 ZINC000769165035 1045889488 /nfs/dbraw/zinc/88/94/88/1045889488.db2.gz XLJKYNSWNRGJEF-IBGZPJMESA-N 0 3 344.405 4.028 20 30 EIEDHN N#CC1(c2ccccc2)CCC(NCc2ncccc2Cl)CC1 ZINC001170361751 1046015073 /nfs/dbraw/zinc/01/50/73/1046015073.db2.gz CVXQAHNNUNHDRP-UHFFFAOYSA-N 0 3 325.843 4.229 20 30 EIEDHN C=CCOc1c(Br)cc(CN(C)CC(=C)C)cc1OC ZINC000497095099 1046340284 /nfs/dbraw/zinc/34/02/84/1046340284.db2.gz FXNSQVABAHBVCE-UHFFFAOYSA-N 0 3 340.261 4.030 20 30 EIEDHN N#CC(C(=O)CCCC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000771262197 1046361400 /nfs/dbraw/zinc/36/14/00/1046361400.db2.gz VJWRHSYSTNBVLM-SECBINFHSA-N 0 3 345.271 4.340 20 30 EIEDHN N#CCSCCCN1CCc2sccc2[C@H]1c1cccs1 ZINC000080625762 1046734812 /nfs/dbraw/zinc/73/48/12/1046734812.db2.gz UYGREYLMZCBXDM-INIZCTEOSA-N 0 3 334.535 4.404 20 30 EIEDHN C[C@@H](OC(=O)c1cccc(CN2CCCC2)c1)c1ccc(C#N)cc1 ZINC000785714022 1046744192 /nfs/dbraw/zinc/74/41/92/1046744192.db2.gz PWWFSDVLFPGKPX-MRXNPFEDSA-N 0 3 334.419 4.072 20 30 EIEDHN COc1ccc([C@H](C)NCCSCc2ccccc2C#N)c(F)c1 ZINC000536855698 1046824311 /nfs/dbraw/zinc/82/43/11/1046824311.db2.gz BKYIEHZFVCOKCS-AWEZNQCLSA-N 0 3 344.455 4.290 20 30 EIEDHN CC(C)C[C@]1(C)CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001170480519 1046890912 /nfs/dbraw/zinc/89/09/12/1046890912.db2.gz NQPSACFLNQERFZ-SFHVURJKSA-N 0 3 333.863 4.051 20 30 EIEDHN COCc1cc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000787034676 1046895794 /nfs/dbraw/zinc/89/57/94/1046895794.db2.gz TWUZZMGYZMJLLL-VLIAUNLRSA-N 0 3 336.435 4.051 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420471 1047003119 /nfs/dbraw/zinc/00/31/19/1047003119.db2.gz HQFWLIYABNZAME-IUODEOHRSA-N 0 3 326.362 4.140 20 30 EIEDHN CCC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000537292237 1047072464 /nfs/dbraw/zinc/07/24/64/1047072464.db2.gz XLRAMJCSDBZWRP-SFHVURJKSA-N 0 3 338.455 4.447 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 ZINC000788648102 1047247208 /nfs/dbraw/zinc/24/72/08/1047247208.db2.gz XGMPHPZODJJALO-WIYYLYMNSA-N 0 3 336.435 4.240 20 30 EIEDHN Cc1ccc(Nc2ccccc2C(=O)C(C#N)c2ccncn2)cc1 ZINC000760339554 1047330976 /nfs/dbraw/zinc/33/09/76/1047330976.db2.gz KEBGOJKDUKFKDL-KRWDZBQOSA-N 0 3 328.375 4.019 20 30 EIEDHN N#Cc1cccc(CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 ZINC000154753539 1047507830 /nfs/dbraw/zinc/50/78/30/1047507830.db2.gz ZYNRHPUXLZOWRW-OAQYLSRUSA-N 0 3 348.471 4.356 20 30 EIEDHN N#CC(C(=O)c1ccc2c(c1)CCC=C2)c1cnc2ccccc2n1 ZINC000556560752 1047824691 /nfs/dbraw/zinc/82/46/91/1047824691.db2.gz KCTUBWLYDKKTBK-KRWDZBQOSA-N 0 3 325.371 4.079 20 30 EIEDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1[O-] ZINC000808706136 1048054171 /nfs/dbraw/zinc/05/41/71/1048054171.db2.gz YJFDNSUFGALZFC-CYBMUJFWSA-N 0 3 330.815 4.107 20 30 EIEDHN C#CCOc1ccccc1CN[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000808707238 1048054695 /nfs/dbraw/zinc/05/46/95/1048054695.db2.gz IUEZHWMKNYXMDV-FQEVSTJZSA-N 0 3 330.431 4.347 20 30 EIEDHN C[C@H]1C(N=Nc2nncc3ccccc32)CCCN1Cc1ccccc1 ZINC000814705786 1048130844 /nfs/dbraw/zinc/13/08/44/1048130844.db2.gz NEICVPKOXMUFGD-INIZCTEOSA-N 0 3 345.450 4.082 20 30 EIEDHN C=CCOc1cccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000556910043 1048186632 /nfs/dbraw/zinc/18/66/32/1048186632.db2.gz SLWKXANEXSMIFG-NRFANRHFSA-N 0 3 337.463 4.245 20 30 EIEDHN CC(C)[C@H](NCc1ccc(C#N)cc1Cl)[C@H](O)c1ccccc1 ZINC000844326514 1048294113 /nfs/dbraw/zinc/29/41/13/1048294113.db2.gz GQNIWRQEMYJKDX-RBUKOAKNSA-N 0 3 328.843 4.059 20 30 EIEDHN C=CC[C@H](C)C(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC001144020897 1048369352 /nfs/dbraw/zinc/36/93/52/1048369352.db2.gz JFBZVRVVDPLPIL-LPHOPBHVSA-N 0 3 334.463 4.415 20 30 EIEDHN C=CCN(CCc1nc(-c2ccccc2)no1)Cc1cccs1 ZINC000074329160 1048472836 /nfs/dbraw/zinc/47/28/36/1048472836.db2.gz PJCVZNQIXPCLAU-UHFFFAOYSA-N 0 3 325.437 4.029 20 30 EIEDHN Cc1cc(Br)cc(CN(C)Cc2cccc(C#N)c2)c1 ZINC001144222000 1048514955 /nfs/dbraw/zinc/51/49/55/1048514955.db2.gz KLKZHTCNMFOUDZ-UHFFFAOYSA-N 0 3 329.241 4.261 20 30 EIEDHN C[C@H](c1ccccc1)[N@@H+]1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000920173966 1048571424 /nfs/dbraw/zinc/57/14/24/1048571424.db2.gz HYDPHKARPWQBRI-ROTSCOARSA-N 0 3 328.843 4.300 20 30 EIEDHN C[C@H](c1ccccc1)[N@H+]1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000920173966 1048571437 /nfs/dbraw/zinc/57/14/37/1048571437.db2.gz HYDPHKARPWQBRI-ROTSCOARSA-N 0 3 328.843 4.300 20 30 EIEDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000810128158 1048641101 /nfs/dbraw/zinc/64/11/01/1048641101.db2.gz DFJZEQDURCIDCL-IRXDYDNUSA-N 0 3 347.462 4.487 20 30 EIEDHN CC(C)Oc1ccc([C@H]2CCC[C@@H]2NCc2nc(C#N)cs2)cc1 ZINC000810151812 1048657350 /nfs/dbraw/zinc/65/73/50/1048657350.db2.gz PFOCXJJXUSPTOJ-MSOLQXFVSA-N 0 3 341.480 4.228 20 30 EIEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000845442764 1048667475 /nfs/dbraw/zinc/66/74/75/1048667475.db2.gz PLVICVBXGXCPBH-QYZOEREBSA-N 0 3 346.430 4.313 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1ccc(F)cc1Br ZINC001171189780 1048687750 /nfs/dbraw/zinc/68/77/50/1048687750.db2.gz LMTIIRSBPCRYHX-LBPRGKRZSA-N 0 3 347.231 4.181 20 30 EIEDHN CCc1cccc(CNCc2ccc(OC)c(O[C@@H](C#N)CC)c2)c1 ZINC000845941002 1048768753 /nfs/dbraw/zinc/76/87/53/1048768753.db2.gz SHTNFCGZQSPANR-LJQANCHMSA-N 0 3 338.451 4.228 20 30 EIEDHN CCC[C@H](C(=O)C(C#N)c1nc2ccccc2s1)c1ccccn1 ZINC000810520785 1048805640 /nfs/dbraw/zinc/80/56/40/1048805640.db2.gz JJJRSSVSFHFGLL-UONOGXRCSA-N 0 3 335.432 4.451 20 30 EIEDHN CCOc1ccc(/C=N/C[C@@H](c2cccs2)N2CCCC2)c(O)c1 ZINC000920944384 1048817020 /nfs/dbraw/zinc/81/70/20/1048817020.db2.gz WIMNQQNETITQFL-NNIWKIFQSA-N 0 3 344.480 4.108 20 30 EIEDHN C=CCc1cc(CN[C@@H]2CCc3cc(F)ccc32)cc(OC)c1OC ZINC000772946084 1048884378 /nfs/dbraw/zinc/88/43/78/1048884378.db2.gz JWYBXTQHXLBQIF-LJQANCHMSA-N 0 3 341.426 4.349 20 30 EIEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCOc3c(CC)cccc32)cc1 ZINC000772960046 1048999040 /nfs/dbraw/zinc/99/90/40/1048999040.db2.gz QFZVJKHFLDTZJX-IIBYNOLFSA-N 0 3 335.447 4.435 20 30 EIEDHN C#C[C@@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000811517435 1049103929 /nfs/dbraw/zinc/10/39/29/1049103929.db2.gz SOFPORPXTNSYCN-QGZVFWFLSA-N 0 3 348.874 4.003 20 30 EIEDHN C=CCC1(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCCC1 ZINC001147443478 1049159575 /nfs/dbraw/zinc/15/95/75/1049159575.db2.gz QDZWKXMYSOMXPI-GOSISDBHSA-N 0 3 344.474 4.043 20 30 EIEDHN N=C(N[C@@H]1CCc2cccc(Cl)c2C1)c1ccc2ccccc2n1 ZINC001170909728 1049173593 /nfs/dbraw/zinc/17/35/93/1049173593.db2.gz XOQLLUKTUCIZNE-OAHLLOKOSA-N 0 3 335.838 4.151 20 30 EIEDHN N#CC(C(=O)Nc1ccccc1Cl)c1nc2cc(F)ccc2s1 ZINC000609627451 1049214341 /nfs/dbraw/zinc/21/43/41/1049214341.db2.gz ZKEGFRQVGMUHKN-SNVBAGLBSA-N 0 3 345.786 4.335 20 30 EIEDHN CCN(CC#Cc1ccc(Cl)cc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812853229 1049613331 /nfs/dbraw/zinc/61/33/31/1049613331.db2.gz DANIBDFGYIEYEC-JXFKEZNVSA-N 0 3 327.855 4.136 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCC2CC2)cc1 ZINC000813060220 1049667659 /nfs/dbraw/zinc/66/76/59/1049667659.db2.gz SQSRXFDVJJGLLG-KSSFIOAISA-N 0 3 326.440 4.428 20 30 EIEDHN C#CC[C@H]1CCCN(Cc2cc(Br)cc3cccnc32)C1 ZINC001171489985 1049718587 /nfs/dbraw/zinc/71/85/87/1049718587.db2.gz LPYZTBJZMDRRNR-AWEZNQCLSA-N 0 3 343.268 4.233 20 30 EIEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=N)c1ccc(Cl)cn1 ZINC001171959554 1049823491 /nfs/dbraw/zinc/82/34/91/1049823491.db2.gz BJQUDBZQMXYHCO-JTQLQIEISA-N 0 3 341.764 4.090 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180029108 1049825007 /nfs/dbraw/zinc/82/50/07/1049825007.db2.gz DTVMRWRAZGQDHB-MRXNPFEDSA-N 0 3 331.419 4.014 20 30 EIEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(F)c(Br)c1 ZINC000037748930 1049915422 /nfs/dbraw/zinc/91/54/22/1049915422.db2.gz NCJBXDMVXUCMKT-LLVKDONJSA-N 0 3 333.204 4.311 20 30 EIEDHN N#Cc1ccc(CN[C@H](CN2CCCCC2)c2ccccc2)cc1F ZINC000616773396 1049917261 /nfs/dbraw/zinc/91/72/61/1049917261.db2.gz NYQMNJJRBGZXHX-OAQYLSRUSA-N 0 3 337.442 4.014 20 30 EIEDHN C=CC[C@@H](NCc1cc(C)c(C2OCCO2)cc1C)c1ccncc1 ZINC001177884694 1050320471 /nfs/dbraw/zinc/32/04/71/1050320471.db2.gz HLDKZFJMXNSNJZ-HXUWFJFHSA-N 0 3 338.451 4.151 20 30 EIEDHN N#CC(Cc1cccs1)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC001177904184 1050324400 /nfs/dbraw/zinc/32/44/00/1050324400.db2.gz NQZJSXSKULYPCA-CYBMUJFWSA-N 0 3 339.445 4.193 20 30 EIEDHN C=CCOC1CCC(N2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001173326900 1050417666 /nfs/dbraw/zinc/41/76/66/1050417666.db2.gz UKXKSGNNYPXPQY-MHJFOBGBSA-N 0 3 349.902 4.401 20 30 EIEDHN CC1(C#N)CCC(NCC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001173590495 1050494778 /nfs/dbraw/zinc/49/47/78/1050494778.db2.gz LMNMQMGPQICUFM-UHFFFAOYSA-N 0 3 342.336 4.089 20 30 EIEDHN CCN(C)c1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000773746900 1050500356 /nfs/dbraw/zinc/50/03/56/1050500356.db2.gz BRMQURXMEWULOX-UHFFFAOYSA-N 0 3 349.478 4.058 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(Br)cs1 ZINC000618742619 1050500783 /nfs/dbraw/zinc/50/07/83/1050500783.db2.gz NAFFNDVXXWGNKV-HNNXBMFYSA-N 0 3 333.254 4.159 20 30 EIEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(OC(F)F)cc1 ZINC000618802275 1050520954 /nfs/dbraw/zinc/52/09/54/1050520954.db2.gz HRAAKQSLBXTAJM-XIKOKIGWSA-N 0 3 328.362 4.498 20 30 EIEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000618805104 1050534137 /nfs/dbraw/zinc/53/41/37/1050534137.db2.gz CXTYONXIIPFDST-DJJJIMSYSA-N 0 3 345.446 4.126 20 30 EIEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000618805107 1050534614 /nfs/dbraw/zinc/53/46/14/1050534614.db2.gz CXTYONXIIPFDST-ORAYPTAESA-N 0 3 345.446 4.126 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)cc1C(F)(F)F ZINC000618831443 1050545108 /nfs/dbraw/zinc/54/51/08/1050545108.db2.gz SELLIULQVJPSSC-KRWDZBQOSA-N 0 3 334.316 4.493 20 30 EIEDHN C=C[C@H](CO)NCc1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC001179216913 1050651867 /nfs/dbraw/zinc/65/18/67/1050651867.db2.gz SCXNFXJJQVFBRB-LLVKDONJSA-N 0 3 328.264 4.358 20 30 EIEDHN COc1cc(CNCc2ccc(C)c(C#N)c2)cc(C(F)(F)F)c1 ZINC001179562897 1050717531 /nfs/dbraw/zinc/71/75/31/1050717531.db2.gz XOYNIWKAPBKSAP-UHFFFAOYSA-N 0 3 334.341 4.184 20 30 EIEDHN C[C@@H](N[C@H]1CCCc2nn(-c3ccccc3)cc21)c1cccc(C#N)c1 ZINC000619465697 1050790574 /nfs/dbraw/zinc/79/05/74/1050790574.db2.gz NLXGNFWZYZGGKB-IERDGZPVSA-N 0 3 342.446 4.472 20 30 EIEDHN N#Cc1ccc(CN2CCC(Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000182786181 1050829477 /nfs/dbraw/zinc/82/94/77/1050829477.db2.gz COGRNQSXFOFYKM-UHFFFAOYSA-N 0 3 331.463 4.123 20 30 EIEDHN CCCC(C)(C)N(CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cccs1 ZINC000619815709 1050919274 /nfs/dbraw/zinc/91/92/74/1050919274.db2.gz NVWJWAZTFKFSDN-IBGZPJMESA-N 0 3 349.544 4.183 20 30 EIEDHN C[C@H](CCC#N)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001180372503 1050983468 /nfs/dbraw/zinc/98/34/68/1050983468.db2.gz TULDECJFXPYFIO-HXUWFJFHSA-N 0 3 347.506 4.333 20 30 EIEDHN Cc1ccccc1[C@H](CC(C)C)NCC(=O)Nc1sccc1C#N ZINC000183248045 1051039605 /nfs/dbraw/zinc/03/96/05/1051039605.db2.gz BVOYCMINJKPRCR-KRWDZBQOSA-N 0 3 341.480 4.244 20 30 EIEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CCC1CCCCC1 ZINC001190706651 1051250723 /nfs/dbraw/zinc/25/07/23/1051250723.db2.gz AUVKCFLCDUMETA-IDYZSHNDSA-N 0 3 347.547 4.208 20 30 EIEDHN CCCCCCCN(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001191157403 1051367144 /nfs/dbraw/zinc/36/71/44/1051367144.db2.gz YGDALOUGAXSXJJ-UHFFFAOYSA-N 0 3 329.387 4.419 20 30 EIEDHN N#CC(C(=O)Nc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC000155440086 1051419606 /nfs/dbraw/zinc/41/96/06/1051419606.db2.gz BCEVREMYQPYXEN-OAHLLOKOSA-N 0 3 337.379 4.195 20 30 EIEDHN CCCCN(CC)[C@@H](C(=O)N[C@H]1CC[C@H](C#N)CC1)c1ccccc1 ZINC001182237409 1051433188 /nfs/dbraw/zinc/43/31/88/1051433188.db2.gz VURMZVFCWWXYGU-MISYRCLQSA-N 0 3 341.499 4.048 20 30 EIEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000774382157 1051569967 /nfs/dbraw/zinc/56/99/67/1051569967.db2.gz SDULGOHWICFWEA-UHIISALHSA-N 0 3 325.239 4.489 20 30 EIEDHN C#C[C@H]1CCCN(C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C1 ZINC001182603945 1051656643 /nfs/dbraw/zinc/65/66/43/1051656643.db2.gz BUMFILOFUQZLEH-IRXDYDNUSA-N 0 3 336.520 4.051 20 30 EIEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001182665303 1051663837 /nfs/dbraw/zinc/66/38/37/1051663837.db2.gz GENXSYBVRYJUIN-FHLIZLRMSA-N 0 3 342.483 4.475 20 30 EIEDHN CCCCN(Cc1cccc(F)c1C#N)[C@@H]1CCc2ncsc2C1 ZINC001182716042 1051683798 /nfs/dbraw/zinc/68/37/98/1051683798.db2.gz TYKORFKFTXHZPF-OAHLLOKOSA-N 0 3 343.471 4.313 20 30 EIEDHN CC(C)(C)[C@H](COc1ccccc1F)NCC#Cc1ccc(F)cc1 ZINC001192603909 1051776018 /nfs/dbraw/zinc/77/60/18/1051776018.db2.gz ITPJJTUKVKXGDA-FQEVSTJZSA-N 0 3 343.417 4.400 20 30 EIEDHN C#CCCN(CCOC)Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001183053744 1051779341 /nfs/dbraw/zinc/77/93/41/1051779341.db2.gz QDTDFFQPHZMBLB-UHFFFAOYSA-N 0 3 327.855 4.479 20 30 EIEDHN C=CCC[C@@H](NCCS(=O)(=O)C1CCCCC1)c1ccccc1 ZINC001192720033 1051804941 /nfs/dbraw/zinc/80/49/41/1051804941.db2.gz RQTDWMAQWPCLHA-LJQANCHMSA-N 0 3 335.513 4.031 20 30 EIEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000184373189 1051929736 /nfs/dbraw/zinc/92/97/36/1051929736.db2.gz HKSATQHXIYYVOR-CYBMUJFWSA-N 0 3 335.432 4.062 20 30 EIEDHN C=CCC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000158851199 1052015915 /nfs/dbraw/zinc/01/59/15/1052015915.db2.gz WPRCYRPFVIGIRL-QGZVFWFLSA-N 0 3 326.396 4.401 20 30 EIEDHN CCCCCCCOC(=O)NC1CCN(Cc2ccc(O)cc2)CC1 ZINC001194019720 1052050324 /nfs/dbraw/zinc/05/03/24/1052050324.db2.gz SLFZYDAPCLZLCS-UHFFFAOYSA-N 0 3 348.487 4.053 20 30 EIEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCOC23CCCCC3)cc1 ZINC001176760640 1052193047 /nfs/dbraw/zinc/19/30/47/1052193047.db2.gz CMCPIJZWKKDZIC-QGZVFWFLSA-N 0 3 337.385 4.138 20 30 EIEDHN CC(C)(C)C[C@H]1CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000072584188 1052459250 /nfs/dbraw/zinc/45/92/50/1052459250.db2.gz LLCJUKJAFOQUIU-OAHLLOKOSA-N 0 3 345.512 4.141 20 30 EIEDHN C=C(C)[C@H](CO)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000671255467 1052532062 /nfs/dbraw/zinc/53/20/62/1052532062.db2.gz PCNHYPPNGGCILO-ZDUSSCGKSA-N 0 3 341.295 4.093 20 30 EIEDHN C=CCOc1c(Cl)cc(CN[C@@H]2C[C@H]2c2ccco2)cc1OC ZINC000623551852 1052678344 /nfs/dbraw/zinc/67/83/44/1052678344.db2.gz KUVUGQRXIGOOIL-UKRRQHHQSA-N 0 3 333.815 4.152 20 30 EIEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000180038427 1052774716 /nfs/dbraw/zinc/77/47/16/1052774716.db2.gz DBFOXJRDINQIFU-QGZVFWFLSA-N 0 3 330.378 4.200 20 30 EIEDHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001195277094 1053356296 /nfs/dbraw/zinc/35/62/96/1053356296.db2.gz DUYUGURMEQWQHA-NVXWUHKLSA-N 0 3 347.890 4.297 20 30 EIEDHN N#CCC[C@@H](NC[C@H](O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000775654972 1053393839 /nfs/dbraw/zinc/39/38/39/1053393839.db2.gz KLNFFAVDZRCUAT-MSOLQXFVSA-N 0 3 332.806 4.147 20 30 EIEDHN C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000851204468 1053436815 /nfs/dbraw/zinc/43/68/15/1053436815.db2.gz ADTAGZMXJLDIQJ-INIZCTEOSA-N 0 3 328.456 4.158 20 30 EIEDHN Fc1ccc(C#CCN2CCC3(CCc4ccccc4C3)CC2)cc1 ZINC001195767318 1053475340 /nfs/dbraw/zinc/47/53/40/1053475340.db2.gz JYCMWPDSOXAHIZ-UHFFFAOYSA-N 0 3 333.450 4.448 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2csc(C)c2C)ccc1OC ZINC000865460328 1053514996 /nfs/dbraw/zinc/51/49/96/1053514996.db2.gz KJRANXWSPYYCJN-KRWDZBQOSA-N 0 3 344.480 4.344 20 30 EIEDHN Cc1oc(NC(=O)CN(C)C2CC(C)(C)CC(C)(C)C2)c(C#N)c1C ZINC001195962974 1053533757 /nfs/dbraw/zinc/53/37/57/1053533757.db2.gz FFLRZSYNWFLZON-UHFFFAOYSA-N 0 3 345.487 4.243 20 30 EIEDHN C=CCN(Cc1cc(Cl)cc(Br)c1)[C@@H](C)COC ZINC001196048077 1053571597 /nfs/dbraw/zinc/57/15/97/1053571597.db2.gz MOVIVRWWCHOMMH-NSHDSACASA-N 0 3 332.669 4.125 20 30 EIEDHN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)c3ccc(C#N)cc3)ccc2NC1=O ZINC000173227228 1053579327 /nfs/dbraw/zinc/57/93/27/1053579327.db2.gz GFXWCTDKZQHLHV-NJSLBKSFSA-N 0 3 349.434 4.080 20 30 EIEDHN CC[C@H]1Oc2cc([C@H](C)N[C@@H](C)c3ccc(C#N)cc3)ccc2NC1=O ZINC000173227217 1053579502 /nfs/dbraw/zinc/57/95/02/1053579502.db2.gz GFXWCTDKZQHLHV-CKFHNAJUSA-N 0 3 349.434 4.080 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(N2CCCCCC2)nc1 ZINC000921539164 1053742820 /nfs/dbraw/zinc/74/28/20/1053742820.db2.gz CCYZFGJJACPIBC-UHFFFAOYSA-N 0 3 348.494 4.240 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866581631 1053794323 /nfs/dbraw/zinc/79/43/23/1053794323.db2.gz JMUKVDCDQNQFMK-AWEZNQCLSA-N 0 3 336.439 4.149 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776747081 1053825560 /nfs/dbraw/zinc/82/55/60/1053825560.db2.gz XJGAAYOMFPGXFH-KSSFIOAISA-N 0 3 337.398 4.229 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2cccc(Cl)c2)ccc1OC ZINC000113347861 1053924208 /nfs/dbraw/zinc/92/42/08/1053924208.db2.gz UZZCLBBWZXYXOI-KRWDZBQOSA-N 0 3 344.842 4.319 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(C)c(C)c2)ccc1OC ZINC000113348051 1053924565 /nfs/dbraw/zinc/92/45/65/1053924565.db2.gz IBVCRDAVTNIMKR-IBGZPJMESA-N 0 3 338.451 4.283 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(Cl)cc2)ccc1OC ZINC000113348155 1053925181 /nfs/dbraw/zinc/92/51/81/1053925181.db2.gz DVYFUZCIOUTCJG-KRWDZBQOSA-N 0 3 344.842 4.319 20 30 EIEDHN C#CCOc1ccccc1CNC[C@H](c1ccccc1)C(F)(F)F ZINC000776816166 1053944714 /nfs/dbraw/zinc/94/47/14/1053944714.db2.gz NROBLTBKJSYQKB-QGZVFWFLSA-N 0 3 333.353 4.134 20 30 EIEDHN C=CCOc1ccc(CNCc2cccc(O[C@@H](C#N)CC)c2)cc1 ZINC000113961557 1054034194 /nfs/dbraw/zinc/03/41/94/1054034194.db2.gz ZVZWEERVQOXMRZ-LJQANCHMSA-N 0 3 336.435 4.222 20 30 EIEDHN C=CCC[C@H]1CCCN1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC001198414534 1054139052 /nfs/dbraw/zinc/13/90/52/1054139052.db2.gz VWHZRJNVZJQRSZ-INIZCTEOSA-N 0 3 344.480 4.455 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024020 1054403671 /nfs/dbraw/zinc/40/36/71/1054403671.db2.gz SYYUZMZUKUGYTQ-IIBYNOLFSA-N 0 3 347.462 4.435 20 30 EIEDHN N#CC1(CCN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)CCCCC1 ZINC000858052726 1054410730 /nfs/dbraw/zinc/41/07/30/1054410730.db2.gz ZNJSMSCNAASBLL-IBGZPJMESA-N 0 3 339.483 4.276 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776012672 1054445516 /nfs/dbraw/zinc/44/55/16/1054445516.db2.gz INULANRJXJZZKO-WWGRRREGSA-N 0 3 326.362 4.140 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(OC(C)(C)C)c2)cc1 ZINC000873164997 1054497192 /nfs/dbraw/zinc/49/71/92/1054497192.db2.gz OTZNYECWPAYVOH-INIZCTEOSA-N 0 3 338.451 4.445 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000124429334 1054501131 /nfs/dbraw/zinc/50/11/31/1054501131.db2.gz NNWBJPIGDRTBHS-AWEZNQCLSA-N 0 3 326.827 4.410 20 30 EIEDHN CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CCCC1 ZINC000108359501 1054773863 /nfs/dbraw/zinc/77/38/63/1054773863.db2.gz BBSQXOWGERZCHV-HNNXBMFYSA-N 0 3 345.512 4.141 20 30 EIEDHN CCCCCCCCN1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001201815193 1054915214 /nfs/dbraw/zinc/91/52/14/1054915214.db2.gz YRTYGQSEQJHWFY-GOSISDBHSA-N 0 3 334.552 4.460 20 30 EIEDHN CCCCCCCN1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001201776867 1054919103 /nfs/dbraw/zinc/91/91/03/1054919103.db2.gz OJNQMVDOPWUIMN-PWRODBHTSA-N 0 3 346.515 4.048 20 30 EIEDHN N#CCOc1ccc(CN2CC[C@H](Sc3ccc(F)cc3)C2)cc1 ZINC001137122757 1055083775 /nfs/dbraw/zinc/08/37/75/1055083775.db2.gz QSZVOLVCRILZQA-IBGZPJMESA-N 0 3 342.439 4.095 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000877898979 1055147482 /nfs/dbraw/zinc/14/74/82/1055147482.db2.gz WYPLAMINJVFIPX-VXKWHMMOSA-N 0 3 332.447 4.264 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(C)[C@@H](C)c1ccccc1C)c1ccccc1 ZINC000877987256 1055169603 /nfs/dbraw/zinc/16/96/03/1055169603.db2.gz CJHHKEKLIHNBPN-PGRDOPGGSA-N 0 3 334.463 4.429 20 30 EIEDHN C=CC[C@@H]1N(Cc2nnc(-c3ccccc3O)o2)CCCC1(C)C ZINC000878516095 1055332626 /nfs/dbraw/zinc/33/26/26/1055332626.db2.gz OHPMFSUJZCUNPZ-INIZCTEOSA-N 0 3 327.428 4.009 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(OCCCC)c2)CC1 ZINC000106323082 1055691891 /nfs/dbraw/zinc/69/18/91/1055691891.db2.gz HJYHEACATSRBDV-UHFFFAOYSA-N 0 3 345.487 4.028 20 30 EIEDHN N#Cc1ccc2nc(NC[C@H](c3ccco3)N3CCCCC3)ccc2c1 ZINC000301826424 1055989286 /nfs/dbraw/zinc/98/92/86/1055989286.db2.gz OXXFHIZRXHGRRN-LJQANCHMSA-N 0 3 346.434 4.339 20 30 EIEDHN Cc1ccc([C@@H](CNc2ccc3cc(C#N)ccc3n2)N2CCCC2)o1 ZINC000301988216 1056005788 /nfs/dbraw/zinc/00/57/88/1056005788.db2.gz WATQMRKEJFAOJZ-LJQANCHMSA-N 0 3 346.434 4.257 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000302111343 1056019533 /nfs/dbraw/zinc/01/95/33/1056019533.db2.gz POMHURHUFDCUOM-INIZCTEOSA-N 0 3 347.462 4.398 20 30 EIEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000302123717 1056020585 /nfs/dbraw/zinc/02/05/85/1056020585.db2.gz VKHXNLDPHHWNIH-QFIPXVFZSA-N 0 3 347.462 4.318 20 30 EIEDHN COc1cc(CN(C)[C@H](C)c2ccc(C#N)cc2)ccc1SC ZINC000109326356 1056413023 /nfs/dbraw/zinc/41/30/23/1056413023.db2.gz DZIPNEPNGYYWPY-CQSZACIVSA-N 0 3 326.465 4.482 20 30 EIEDHN N#Cc1cccc(CNCc2ccc(OCc3ccccc3)cc2)c1 ZINC000073870148 1056614541 /nfs/dbraw/zinc/61/45/41/1056614541.db2.gz CZJDEBATLKGJMH-UHFFFAOYSA-N 0 3 328.415 4.427 20 30 EIEDHN CC(C)CN(Cc1cc(C#N)ccc1F)C[C@H](O)c1ccc(F)cc1 ZINC000741792317 1058373381 /nfs/dbraw/zinc/37/33/81/1058373381.db2.gz ZHJULYZOXMOWPQ-FQEVSTJZSA-N 0 3 344.405 4.028 20 30 EIEDHN C#CCCCNCc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000742385142 1058586333 /nfs/dbraw/zinc/58/63/33/1058586333.db2.gz TZUMNGINUKOJOG-UHFFFAOYSA-N 0 3 336.266 4.050 20 30 EIEDHN COc1ccc(CNCc2cccc(OC3CCCC3)c2)cc1C#N ZINC000742370536 1058596740 /nfs/dbraw/zinc/59/67/40/1058596740.db2.gz ZUISXQXNUNBTIV-UHFFFAOYSA-N 0 3 336.435 4.178 20 30 EIEDHN N#CC(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc2ccccc2n1 ZINC000744017013 1059203366 /nfs/dbraw/zinc/20/33/66/1059203366.db2.gz XKOYQYGDNKJGGZ-PMPSAXMXSA-N 0 3 348.352 4.493 20 30 EIEDHN N#CC(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccc2ccccc2n1 ZINC000744015057 1059220432 /nfs/dbraw/zinc/22/04/32/1059220432.db2.gz FERNQLRRLFGZBS-XIRDDKMYSA-N 0 3 348.352 4.493 20 30 EIEDHN COC(=O)c1cccc(CN[C@H]2CCC[C@H]2CCC(C)C)c1C#N ZINC001169364230 1060781628 /nfs/dbraw/zinc/78/16/28/1060781628.db2.gz CNXJGRNMIWOGNI-KXBFYZLASA-N 0 3 328.456 4.039 20 30 EIEDHN C=C(C)[C@@H](NCCN(C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001169471835 1060833367 /nfs/dbraw/zinc/83/33/67/1060833367.db2.gz CXHCAKQQIQFALP-HXUWFJFHSA-N 0 3 330.422 4.304 20 30 EIEDHN Cc1ccsc1[C@H](CO)NCc1ccc(-c2ccccc2C#N)cc1 ZINC001169628663 1060876998 /nfs/dbraw/zinc/87/69/98/1060876998.db2.gz MGRPEYJXXSXQBL-FQEVSTJZSA-N 0 3 348.471 4.418 20 30 EIEDHN Cc1ccsc1[C@@H](CO)NCc1ccc(-c2ccccc2C#N)cc1 ZINC001169628664 1060877122 /nfs/dbraw/zinc/87/71/22/1060877122.db2.gz MGRPEYJXXSXQBL-HXUWFJFHSA-N 0 3 348.471 4.418 20 30 EIEDHN CN(C)/C=N/c1ccc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1C#N ZINC001169758779 1060949144 /nfs/dbraw/zinc/94/91/44/1060949144.db2.gz USBZRVBZXBQHBY-WXWJXLOASA-N 0 3 348.450 4.112 20 30 EIEDHN C=CCN(CCC(=O)Nc1ccccc1SC)Cc1cccs1 ZINC000532739276 1032292523 /nfs/dbraw/zinc/29/25/23/1032292523.db2.gz LFZBYAFZWLELQN-UHFFFAOYSA-N 0 3 346.521 4.487 20 30 EIEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H](C)c1ccccc1 ZINC000532941978 1032404611 /nfs/dbraw/zinc/40/46/11/1032404611.db2.gz PGFUHMSXHBDBJM-RTBURBONSA-N 0 3 349.478 4.057 20 30 EIEDHN C[C@@H](CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000532941976 1032405236 /nfs/dbraw/zinc/40/52/36/1032405236.db2.gz PGFUHMSXHBDBJM-OALUTQOASA-N 0 3 349.478 4.057 20 30 EIEDHN COc1cc(CN(C)[C@H](C)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000533233880 1032561184 /nfs/dbraw/zinc/56/11/84/1032561184.db2.gz PZGLFOFHOMMRAY-CYBMUJFWSA-N 0 3 346.377 4.361 20 30 EIEDHN C=CCCC[C@@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000181090564 1032643012 /nfs/dbraw/zinc/64/30/12/1032643012.db2.gz CLBDDHIOSPBAFO-GOSISDBHSA-N 0 3 343.515 4.037 20 30 EIEDHN C[C@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(C#N)c1 ZINC000533367589 1032705438 /nfs/dbraw/zinc/70/54/38/1032705438.db2.gz AKTINXAHLKYPRR-YWZLYKJASA-N 0 3 333.435 4.016 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC[C@H](C)c2ccccc2)cc1 ZINC000160166433 1018755972 /nfs/dbraw/zinc/75/59/72/1018755972.db2.gz RZWGJFMCBZOOFY-JXFKEZNVSA-N 0 3 348.446 4.480 20 30 EIEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccccc1C ZINC000728914727 1032821553 /nfs/dbraw/zinc/82/15/53/1032821553.db2.gz VOQKXOYYUDBUTK-HNNXBMFYSA-N 0 3 349.459 4.308 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H](C)CCC[C@@H]2C)c1C ZINC000610216557 1019415425 /nfs/dbraw/zinc/41/54/25/1019415425.db2.gz PYPCIHGSYFYJLR-WMZOPIPTSA-N 0 3 341.499 4.061 20 30 EIEDHN COc1ccc(C#N)cc1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000157573591 1019490734 /nfs/dbraw/zinc/49/07/34/1019490734.db2.gz GTOKDHJIGMPDMU-INIZCTEOSA-N 0 3 347.418 4.088 20 30 EIEDHN CC1(C)CN(CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]2CCC[C@H]21 ZINC000339709586 1019837311 /nfs/dbraw/zinc/83/73/11/1019837311.db2.gz DWEPXUOUIWAXAI-QUCCMNQESA-N 0 3 349.478 4.248 20 30 EIEDHN C=CCCCCCCCN1CCCn2cnc(Cn3cccc3)c2C1 ZINC001209439465 1020344752 /nfs/dbraw/zinc/34/47/52/1020344752.db2.gz QRJGLFZZHPPMED-UHFFFAOYSA-N 0 3 340.515 4.465 20 30 EIEDHN C=CCCCCCCCN1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001209439536 1020346020 /nfs/dbraw/zinc/34/60/20/1020346020.db2.gz RZMLUIKNMVMIRX-UHFFFAOYSA-N 0 3 345.531 4.231 20 30 EIEDHN C=CCCCCCCCN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001209442168 1020352061 /nfs/dbraw/zinc/35/20/61/1020352061.db2.gz VJBCCGBKIUURIH-FQEVSTJZSA-N 0 3 345.531 4.268 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(OCC(F)F)cc2)cc1 ZINC000512501392 1032938018 /nfs/dbraw/zinc/93/80/18/1032938018.db2.gz IYDMWTXHWARPRB-UHFFFAOYSA-N 0 3 333.378 4.185 20 30 EIEDHN C=CC[C@H](CC)N[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000500823947 1032955357 /nfs/dbraw/zinc/95/53/57/1032955357.db2.gz ANZMZYUDSHTHEF-PXNSSMCTSA-N 0 3 338.451 4.319 20 30 EIEDHN COc1ccccc1[C@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000609280554 1021145971 /nfs/dbraw/zinc/14/59/71/1021145971.db2.gz AFTTXJPVFJFCJI-HXUWFJFHSA-N 0 3 336.435 4.173 20 30 EIEDHN CC(C)(C)c1ccccc1NC(=O)CN[C@@H]1CCC(=O)NC12CCC2 ZINC000328680284 1021177159 /nfs/dbraw/zinc/17/71/59/1021177159.db2.gz BXOJYPPUDHBNJN-MRXNPFEDSA-N 0 3 343.471 4.203 20 30 EIEDHN Cc1ccc([C@H](CNc2ccc(Cl)cc2C#N)N2CCCC2)o1 ZINC000511379726 1021380174 /nfs/dbraw/zinc/38/01/74/1021380174.db2.gz QJDSUJURNTTYLW-KRWDZBQOSA-N 0 3 329.831 4.362 20 30 EIEDHN CCc1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)oc1CC ZINC000177946028 1021820488 /nfs/dbraw/zinc/82/04/88/1021820488.db2.gz YUYLAPLPATWAHS-CQSZACIVSA-N 0 3 344.798 4.019 20 30 EIEDHN C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000581035108 1021824670 /nfs/dbraw/zinc/82/46/70/1021824670.db2.gz JESJVQQRVIVWLV-AWEZNQCLSA-N 0 3 347.393 4.140 20 30 EIEDHN N#CC(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc2ccccc2n1 ZINC000613290573 1021854349 /nfs/dbraw/zinc/85/43/49/1021854349.db2.gz HAYMSLRKCGNIOO-ZDUSSCGKSA-N 0 3 341.292 4.139 20 30 EIEDHN CN(C(=O)CN[C@@H](c1ccccc1)C(C)(C)C)C1(C#N)CCCCC1 ZINC000064938845 1022034460 /nfs/dbraw/zinc/03/44/60/1022034460.db2.gz KMIBMFBAIJSJQX-IBGZPJMESA-N 0 3 341.499 4.048 20 30 EIEDHN C=CCN(CCC(=O)Nc1ccccc1C)Cc1ccc(OC)cc1 ZINC000174743789 1022149634 /nfs/dbraw/zinc/14/96/34/1022149634.db2.gz LCAKYTBHXULGAP-UHFFFAOYSA-N 0 3 338.451 4.020 20 30 EIEDHN CC(C)(C#N)CCCN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000610447541 1022231936 /nfs/dbraw/zinc/23/19/36/1022231936.db2.gz LKQNSUSXUWECKP-PHIMTYICSA-N 0 3 330.316 4.379 20 30 EIEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000472562681 1022260881 /nfs/dbraw/zinc/26/08/81/1022260881.db2.gz IWMAXBNOTAQASZ-VQIMIIECSA-N 0 3 327.472 4.081 20 30 EIEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000180248360 1022370203 /nfs/dbraw/zinc/37/02/03/1022370203.db2.gz FWXQGKRQZIYEKJ-ZHRRBRCNSA-N 0 3 342.446 4.152 20 30 EIEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000378106788 1022378242 /nfs/dbraw/zinc/37/82/42/1022378242.db2.gz ZKQZMXVWICRYAX-MJGOQNOKSA-N 0 3 346.902 4.217 20 30 EIEDHN Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1F ZINC000181574014 1022387099 /nfs/dbraw/zinc/38/70/99/1022387099.db2.gz AKRUQDODNOSHOK-CQSZACIVSA-N 0 3 334.398 4.042 20 30 EIEDHN C=CCN1CCC(NC(=O)CC(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC000187800189 1022491528 /nfs/dbraw/zinc/49/15/28/1022491528.db2.gz XBOFDWGZHKYDFX-UHFFFAOYSA-N 0 3 348.918 4.065 20 30 EIEDHN N#Cc1ccccc1-c1ccc(CNCc2ccc3c[nH]nc3c2)cc1 ZINC000180334488 1022560034 /nfs/dbraw/zinc/56/00/34/1022560034.db2.gz GBYVKFHZSNOXIS-UHFFFAOYSA-N 0 3 338.414 4.391 20 30 EIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000056491370 1022832399 /nfs/dbraw/zinc/83/23/99/1022832399.db2.gz NYCMQQALPAARKE-UHFFFAOYSA-N 0 3 334.341 4.131 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccc(Cl)s1 ZINC000123047339 1023464740 /nfs/dbraw/zinc/46/47/40/1023464740.db2.gz LNVFAXRVZMBBGF-GFCCVEGCSA-N 0 3 343.839 4.097 20 30 EIEDHN Clc1cccc(C#CCN[C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000538187518 1023500040 /nfs/dbraw/zinc/50/00/40/1023500040.db2.gz HJGAJGOXSKTFAP-ICSRJNTNSA-N 0 3 325.839 4.059 20 30 EIEDHN CC[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000341294307 1023541703 /nfs/dbraw/zinc/54/17/03/1023541703.db2.gz RSEUAHUJINWJBH-FZKQIMNGSA-N 0 3 341.842 4.280 20 30 EIEDHN C=CCc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc(OC)c1O ZINC000418140254 1023560360 /nfs/dbraw/zinc/56/03/60/1023560360.db2.gz FNSARVNBTJYTPM-HXUWFJFHSA-N 0 3 348.446 4.168 20 30 EIEDHN Cc1ccc(OCCCC(=O)C(C#N)c2nc3ccccc3o2)c(C)c1 ZINC000178108313 1023632420 /nfs/dbraw/zinc/63/24/20/1023632420.db2.gz ZTLBNCZEHJXFIE-MRXNPFEDSA-N 0 3 348.402 4.480 20 30 EIEDHN CCn1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)c(C)n1 ZINC000892987968 1023635114 /nfs/dbraw/zinc/63/51/14/1023635114.db2.gz ASIGLZJQRLQWRE-UHFFFAOYSA-N 0 3 336.464 4.101 20 30 EIEDHN N#CC1CCC(CNCc2c(F)ccc(Br)c2F)CC1 ZINC000500362478 1023755770 /nfs/dbraw/zinc/75/57/70/1023755770.db2.gz DFKCAADWXFWAFR-UHFFFAOYSA-N 0 3 343.215 4.147 20 30 EIEDHN Cc1ccc([C@H]2CCC[C@@H]2N(C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167492419 1023955451 /nfs/dbraw/zinc/95/54/51/1023955451.db2.gz SCPPITOWLHDZOG-RTWAWAEBSA-N 0 3 347.462 4.073 20 30 EIEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)C1 ZINC000651751708 1023979736 /nfs/dbraw/zinc/97/97/36/1023979736.db2.gz FFHPNHCJKVTXRT-DJIMGWMZSA-N 0 3 326.444 4.163 20 30 EIEDHN CC(C)(C#N)c1ccc(CNCc2cccc(OCC(F)F)c2)cc1 ZINC000594499675 1024094011 /nfs/dbraw/zinc/09/40/11/1024094011.db2.gz PQQBHWDRZSLDOD-UHFFFAOYSA-N 0 3 344.405 4.421 20 30 EIEDHN C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccnc1 ZINC000066904916 1024390776 /nfs/dbraw/zinc/39/07/76/1024390776.db2.gz MXUFNEPOCMQACP-KRWDZBQOSA-N 0 3 343.430 4.383 20 30 EIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000341761228 1024628841 /nfs/dbraw/zinc/62/88/41/1024628841.db2.gz OTDZEZFQHABGQJ-FOIQADDNSA-N 0 3 348.446 4.448 20 30 EIEDHN N#Cc1ccccc1-c1ccc(CNCc2cccc3c[nH]nc32)cc1 ZINC000091068117 1024833913 /nfs/dbraw/zinc/83/39/13/1024833913.db2.gz FHTHDTYZTCRFAH-UHFFFAOYSA-N 0 3 338.414 4.391 20 30 EIEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc2cc(Br)ccc2o1 ZINC000662090960 1024857735 /nfs/dbraw/zinc/85/77/35/1024857735.db2.gz UVZSBTJGBDLGAF-BETUJISGSA-N 0 3 333.229 4.273 20 30 EIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc([S@@](C)=O)cc1 ZINC000341889360 1024901413 /nfs/dbraw/zinc/90/14/13/1024901413.db2.gz RGDKTNLTCXSNPM-KVGGTASHSA-N 0 3 338.476 4.024 20 30 EIEDHN N#Cc1cccc(CNC2(c3cccc(Br)c3)CCC2)c1 ZINC000236779897 1024982655 /nfs/dbraw/zinc/98/26/55/1024982655.db2.gz DPJMEZMUQVHQIB-UHFFFAOYSA-N 0 3 341.252 4.490 20 30 EIEDHN C=CCC[C@@H](NCC(=O)N(C)Cc1ccccc1F)c1ccccc1 ZINC000341950791 1025008876 /nfs/dbraw/zinc/00/88/76/1025008876.db2.gz YHIYMCJRTAQQPP-HXUWFJFHSA-N 0 3 340.442 4.081 20 30 EIEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000610829645 1025052518 /nfs/dbraw/zinc/05/25/18/1025052518.db2.gz CGOHYWQGKUHGFP-ZIAGYGMSSA-N 0 3 333.435 4.200 20 30 EIEDHN N#Cc1cc(CN(CCc2ccccc2)Cc2ccccc2)ccn1 ZINC000610991565 1025218081 /nfs/dbraw/zinc/21/80/81/1025218081.db2.gz QDRAYMWNOVGCNI-UHFFFAOYSA-N 0 3 327.431 4.198 20 30 EIEDHN C=CCOCCN(C)[C@H]1CCSc2ccc(Br)cc21 ZINC000549824238 1033272278 /nfs/dbraw/zinc/27/22/78/1033272278.db2.gz JXWKXMRECSIUKR-AWEZNQCLSA-N 0 3 342.302 4.120 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCc3c2cccc3Br)cc1 ZINC000105491819 1025386778 /nfs/dbraw/zinc/38/67/78/1025386778.db2.gz PLSZUQDACXFGSC-QGZVFWFLSA-N 0 3 327.225 4.098 20 30 EIEDHN CC(C)c1ccc(C(C)(C)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000585766869 1025829434 /nfs/dbraw/zinc/82/94/34/1025829434.db2.gz MOPWYRKJSCKQCW-UHFFFAOYSA-N 0 3 332.451 4.354 20 30 EIEDHN N#Cc1ccc(OCCN[C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000071982642 1026028567 /nfs/dbraw/zinc/02/85/67/1026028567.db2.gz NUJQYTLIIAVGGO-JOCHJYFZSA-N 0 3 346.405 4.455 20 30 EIEDHN CCCc1ccc([C@@H](NCc2cnc3c(C#N)cnn3c2)C(C)C)cc1 ZINC000550157026 1026253601 /nfs/dbraw/zinc/25/36/01/1026253601.db2.gz QZUMQVQMZJDKQH-FQEVSTJZSA-N 0 3 347.466 4.040 20 30 EIEDHN Clc1cccc(C#CCN2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000440475233 1026425249 /nfs/dbraw/zinc/42/52/49/1026425249.db2.gz SNFQPARTAPVPFR-UHFFFAOYSA-N 0 3 349.865 4.447 20 30 EIEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(SCC)cc1 ZINC000507509381 1026820870 /nfs/dbraw/zinc/82/08/70/1026820870.db2.gz KYQMHDUQCFCYID-HOTGVXAUSA-N 0 3 332.513 4.038 20 30 EIEDHN CCn1c2ccccc2nc1[C@@H]1CCCN1CCc1ccc(C#N)cc1 ZINC001167594884 1026914972 /nfs/dbraw/zinc/91/49/72/1026914972.db2.gz VYNTUSNOMIFONF-NRFANRHFSA-N 0 3 344.462 4.307 20 30 EIEDHN CCCC[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(OC)cc1 ZINC000342737402 1026920762 /nfs/dbraw/zinc/92/07/62/1026920762.db2.gz ZQAQMYMDAFWQRA-HXUWFJFHSA-N 0 3 348.450 4.236 20 30 EIEDHN N#CC(C(=O)CCCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000048813549 1026922547 /nfs/dbraw/zinc/92/25/47/1026922547.db2.gz UCBMTFCOHSWSHG-HNNXBMFYSA-N 0 3 337.810 4.415 20 30 EIEDHN COc1ccc([C@@H]2CCCN2Cc2ccc(CC#N)cc2)cc1OC ZINC000342763641 1026966298 /nfs/dbraw/zinc/96/62/98/1026966298.db2.gz CSRCMANFVYGBCO-IBGZPJMESA-N 0 3 336.435 4.107 20 30 EIEDHN C=CCC[C@@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000342797969 1027041027 /nfs/dbraw/zinc/04/10/27/1027041027.db2.gz SWEOLZPYJKGIFY-FXAWDEMLSA-N 0 3 343.492 4.146 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cc(Br)ccc2C)n1 ZINC000076763848 1027094689 /nfs/dbraw/zinc/09/46/89/1027094689.db2.gz GAUNFMQJOHANER-GFCCVEGCSA-N 0 3 335.226 4.013 20 30 EIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000399278017 1027238883 /nfs/dbraw/zinc/23/88/83/1027238883.db2.gz WMMKMRBUCQGCLI-ZDUSSCGKSA-N 0 3 329.241 4.366 20 30 EIEDHN CN(C)/C=N/c1ccc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC001168067062 1027342238 /nfs/dbraw/zinc/34/22/38/1027342238.db2.gz FNBOIIGFDWCTDN-ZPGQBHAFSA-N 0 3 340.377 4.026 20 30 EIEDHN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)C1CCCCC1 ZINC000185506915 1027408281 /nfs/dbraw/zinc/40/82/81/1027408281.db2.gz UMSKGMPXBKBRTD-CABCVRRESA-N 0 3 338.455 4.303 20 30 EIEDHN CCn1c2ccccc2nc1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000329154913 1027615732 /nfs/dbraw/zinc/61/57/32/1027615732.db2.gz APPDFJCWNLKBKO-KRWDZBQOSA-N 0 3 326.444 4.051 20 30 EIEDHN CC1(C)CCc2ccccc2[C@H](NCC(=O)NC2(C#N)CCC2)C1 ZINC000329239777 1027661306 /nfs/dbraw/zinc/66/13/06/1027661306.db2.gz QOUDMTLEUVMWOI-QGZVFWFLSA-N 0 3 325.456 4.083 20 30 EIEDHN CSc1nc(CN(Cc2ccccc2)C(C)(C)C)ccc1C#N ZINC001141929425 1027971778 /nfs/dbraw/zinc/97/17/78/1027971778.db2.gz VDWHJQGQZFIGID-UHFFFAOYSA-N 0 3 325.481 4.476 20 30 EIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(Br)s1 ZINC000444760029 1028025814 /nfs/dbraw/zinc/02/58/14/1028025814.db2.gz ISKJCNTWJZNVQM-NSHDSACASA-N 0 3 335.270 4.427 20 30 EIEDHN CCCCN(CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000523450496 1028103428 /nfs/dbraw/zinc/10/34/28/1028103428.db2.gz YHBULZWNXBOMTR-SFHVURJKSA-N 0 3 349.478 4.038 20 30 EIEDHN C=CCc1cc(CNCc2cccc(CSC)c2)cc(OC)c1O ZINC000189473833 1028148281 /nfs/dbraw/zinc/14/82/81/1028148281.db2.gz ULJGNPRAIWQWFS-UHFFFAOYSA-N 0 3 343.492 4.282 20 30 EIEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000330267449 1028241633 /nfs/dbraw/zinc/24/16/33/1028241633.db2.gz QNVSWXVSEXJORQ-AMFBXLIHSA-N 0 3 343.254 4.127 20 30 EIEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000330271734 1028245306 /nfs/dbraw/zinc/24/53/06/1028245306.db2.gz WKPNMKLGQSIQEH-RJIBLYRGSA-N 0 3 343.254 4.127 20 30 EIEDHN CCCN(Cc1ccccc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343318615 1028931137 /nfs/dbraw/zinc/93/11/37/1028931137.db2.gz JRIUVMTXYSPKJY-LJQANCHMSA-N 0 3 349.478 4.234 20 30 EIEDHN CCN(CC)[C@H](CNc1ncc(Cl)c(C)c1C#N)c1ccco1 ZINC000343445666 1029264061 /nfs/dbraw/zinc/26/40/61/1029264061.db2.gz XQXNIHFGQLNBBP-OAHLLOKOSA-N 0 3 332.835 4.003 20 30 EIEDHN COc1ccc2c(c1)CCC[C@H]2N1CCC(C#N)(c2ccccn2)CC1 ZINC000367319316 1029354961 /nfs/dbraw/zinc/35/49/61/1029354961.db2.gz VBXONKFGRPHWGD-HXUWFJFHSA-N 0 3 347.462 4.025 20 30 EIEDHN C=CC[C@@H](CO)N[C@@H](CC)c1ccc(Br)cc1Cl ZINC000343490799 1029356135 /nfs/dbraw/zinc/35/61/35/1029356135.db2.gz AYBAFJLOXQQJAN-FZMZJTMJSA-N 0 3 332.669 4.080 20 30 EIEDHN C=CC[C@@H](CO)N[C@H](CC)c1ccc(Br)cc1Cl ZINC000343490805 1029356370 /nfs/dbraw/zinc/35/63/70/1029356370.db2.gz AYBAFJLOXQQJAN-SMDDNHRTSA-N 0 3 332.669 4.080 20 30 EIEDHN COc1cccc([C@@H](CNc2cccc(C(F)F)c2C#N)N(C)C)c1 ZINC000573024833 1029557595 /nfs/dbraw/zinc/55/75/95/1029557595.db2.gz KGQGQZMOTBUVSY-GOSISDBHSA-N 0 3 345.393 4.219 20 30 EIEDHN CC[C@H](N[C@H](C)c1ccc([S@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000278652034 1029648542 /nfs/dbraw/zinc/64/85/42/1029648542.db2.gz ICQOMYCJAIWQBL-OTURYTIQSA-N 0 3 326.465 4.098 20 30 EIEDHN C=C[C@@H]1OCC[C@H]1CNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000584405075 1029826097 /nfs/dbraw/zinc/82/60/97/1029826097.db2.gz RJVDFAGPBVWKBA-BBRMVZONSA-N 0 3 334.872 4.144 20 30 EIEDHN CC#CCN1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447391938 1030058462 /nfs/dbraw/zinc/05/84/62/1030058462.db2.gz ATGCEJSVCBKMFD-HNNXBMFYSA-N 0 3 326.465 4.021 20 30 EIEDHN CCCN(Cc1ccc(Cl)cc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000480525447 1030168925 /nfs/dbraw/zinc/16/89/25/1030168925.db2.gz IQQXPCPICCLNFP-KURKYZTESA-N 0 3 332.875 4.237 20 30 EIEDHN CN(CCOc1ccccc1F)Cc1cccc(OCCCC#N)c1 ZINC000121516992 1030208585 /nfs/dbraw/zinc/20/85/85/1030208585.db2.gz QOYAUBFTGOUFDE-UHFFFAOYSA-N 0 3 342.414 4.019 20 30 EIEDHN CC(C)C[C@]1(C)CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000451286203 1030371353 /nfs/dbraw/zinc/37/13/53/1030371353.db2.gz CMKJCIDOICSDPY-IBGZPJMESA-N 0 3 345.512 4.141 20 30 EIEDHN COc1ccc(C#N)cc1CN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000448254128 1030678114 /nfs/dbraw/zinc/67/81/14/1030678114.db2.gz ZZADIVHUNJYNEM-UHFFFAOYSA-N 0 3 345.446 4.428 20 30 EIEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cc2ccccc2s1 ZINC000527484777 1030701143 /nfs/dbraw/zinc/70/11/43/1030701143.db2.gz ZRRHMXOONNEWGF-LSDHHAIUSA-N 0 3 328.481 4.141 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCCc1ccccc1 ZINC000892419593 1030743345 /nfs/dbraw/zinc/74/33/45/1030743345.db2.gz FBWBHECABAVDSC-KRWDZBQOSA-N 0 3 331.419 4.163 20 30 EIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCC[C@H](C)C1 ZINC000531170464 1030937074 /nfs/dbraw/zinc/93/70/74/1030937074.db2.gz SENVCAWUQYVPMZ-IRXDYDNUSA-N 0 3 348.560 4.163 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(OCCC(C)C)cc2)n1 ZINC000041520622 1031499758 /nfs/dbraw/zinc/49/97/58/1031499758.db2.gz VCEVLEMWVGHVLA-MRXNPFEDSA-N 0 3 328.437 4.367 20 30 EIEDHN N#Cc1ccc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CCOC2)cc1F ZINC000365256370 1031575405 /nfs/dbraw/zinc/57/54/05/1031575405.db2.gz NCMNGZHPQJMTBS-VQIMIIECSA-N 0 3 344.817 4.218 20 30 EIEDHN C[C@H](N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000453274171 1031819962 /nfs/dbraw/zinc/81/99/62/1031819962.db2.gz CPMQLHRPSUCDNU-UGSOOPFHSA-N 0 3 348.368 4.351 20 30 EIEDHN C=CC(C)(C)CN[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000453303211 1031829019 /nfs/dbraw/zinc/82/90/19/1031829019.db2.gz BSPXCNXDKVJCQM-INIZCTEOSA-N 0 3 346.272 4.130 20 30 EIEDHN C=CCOc1cccc(CN[C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000449766027 1031989564 /nfs/dbraw/zinc/98/95/64/1031989564.db2.gz MFHORAKPGUJXJI-LJQANCHMSA-N 0 3 343.492 4.306 20 30 EIEDHN C=CCOc1ccc(CN[C@H](c2cccs2)C(C)(C)CO)cc1 ZINC000453582806 1032030301 /nfs/dbraw/zinc/03/03/01/1032030301.db2.gz XIPHEWIITQOYQA-GOSISDBHSA-N 0 3 331.481 4.162 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(Oc3cnccn3)cc2)cc1 ZINC000512570385 1033391132 /nfs/dbraw/zinc/39/11/32/1033391132.db2.gz UUCYKOVXTGYFKL-UHFFFAOYSA-N 0 3 347.418 4.124 20 30 EIEDHN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc2n[nH]cc2c1 ZINC000573675700 1033433112 /nfs/dbraw/zinc/43/31/12/1033433112.db2.gz RVWOIPUQEQSTSU-LLVKDONJSA-N 0 3 344.340 4.304 20 30 EIEDHN CC(C)(C#N)c1ccc(CN2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000614183906 1033629037 /nfs/dbraw/zinc/62/90/37/1033629037.db2.gz NSRMCQZBKDHJNM-FQEVSTJZSA-N 0 3 338.426 4.280 20 30 EIEDHN CC(C)[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)Nc1ccccc1 ZINC000512655284 1033630294 /nfs/dbraw/zinc/63/02/94/1033630294.db2.gz SSOMUWQJYUYFHR-YWZLYKJASA-N 0 3 325.431 4.485 20 30 EIEDHN COC(=O)c1cc(CN[C@H](CCCC#N)c2ccccc2)c(C)s1 ZINC000433015094 1033655644 /nfs/dbraw/zinc/65/56/44/1033655644.db2.gz VHYQFXZQMHXWPN-QGZVFWFLSA-N 0 3 342.464 4.368 20 30 EIEDHN CC[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000512666761 1033662768 /nfs/dbraw/zinc/66/27/68/1033662768.db2.gz MBZCKAJBLFIYFC-BBRMVZONSA-N 0 3 330.378 4.345 20 30 EIEDHN COc1cc(CN[C@@H](CCCC#N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000433018328 1033663378 /nfs/dbraw/zinc/66/33/78/1033663378.db2.gz GRDRNLJZMXQZFH-KRWDZBQOSA-N 0 3 339.395 4.128 20 30 EIEDHN C[C@H](N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C#N)cc1F ZINC000512668818 1033671409 /nfs/dbraw/zinc/67/14/09/1033671409.db2.gz WSNQPROODFORMS-YOEHRIQHSA-N 0 3 341.405 4.156 20 30 EIEDHN N#CCCC[C@@H](NCC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000433031456 1033697157 /nfs/dbraw/zinc/69/71/57/1033697157.db2.gz NPTBDWRNMPCATR-QGZVFWFLSA-N 0 3 341.842 4.303 20 30 EIEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccc(F)cc1F ZINC000178717443 1033816014 /nfs/dbraw/zinc/81/60/14/1033816014.db2.gz UZBHYKBSVPEMIV-FZMZJTMJSA-N 0 3 340.329 4.476 20 30 EIEDHN C=C(C)COc1cc(CN2CCC(C)(OCC)CC2)ccc1OC ZINC000430101064 1034630265 /nfs/dbraw/zinc/63/02/65/1034630265.db2.gz HXONNLXEOBWARL-UHFFFAOYSA-N 0 3 333.472 4.041 20 30 EIEDHN CN(Cc1ccc(C#N)o1)CC1(c2ccc(Br)cc2)CC1 ZINC000093612851 1034959409 /nfs/dbraw/zinc/95/94/09/1034959409.db2.gz AYVQCLCYZJSZMC-UHFFFAOYSA-N 0 3 345.240 4.077 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000419842668 1035424827 /nfs/dbraw/zinc/42/48/27/1035424827.db2.gz WCAFMQVUNGUCDK-AWEZNQCLSA-N 0 3 327.453 4.249 20 30 EIEDHN Cc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cc1Cl ZINC000594981103 1035514375 /nfs/dbraw/zinc/51/43/75/1035514375.db2.gz URUQTKXPZZAYPW-UHFFFAOYSA-N 0 3 340.854 4.316 20 30 EIEDHN N#CC[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000595609180 1035750595 /nfs/dbraw/zinc/75/05/95/1035750595.db2.gz HQMJNMXPHVEPFJ-KRWDZBQOSA-N 0 3 333.435 4.065 20 30 EIEDHN N#CC1(CCCN2CC3(CCCC3)[C@@H]2c2ccco2)CCOCC1 ZINC000595678311 1035763297 /nfs/dbraw/zinc/76/32/97/1035763297.db2.gz XWZMAYZSCUROFR-SFHVURJKSA-N 0 3 328.456 4.297 20 30 EIEDHN C=CCc1cc(CN2CCC(c3ccco3)CC2)cc(OC)c1O ZINC000668461779 1035826184 /nfs/dbraw/zinc/82/61/84/1035826184.db2.gz DZKMIGBYSPPHPZ-UHFFFAOYSA-N 0 3 327.424 4.102 20 30 EIEDHN Cc1ccc(C)c(OCCC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000054735249 1035832622 /nfs/dbraw/zinc/83/26/22/1035832622.db2.gz OHXOHBAWSVLVHG-OAHLLOKOSA-N 0 3 334.375 4.090 20 30 EIEDHN C=CCOc1cccc(CN2CCC(c3ccnn3CCC)CC2)c1 ZINC000502303316 1036059640 /nfs/dbraw/zinc/05/96/40/1036059640.db2.gz TWXHNYZCHHXBDX-UHFFFAOYSA-N 0 3 339.483 4.238 20 30 EIEDHN N#Cc1ccc(CN[C@H]2CCCc3cc(OC(F)F)ccc32)cc1F ZINC000421320395 1036267851 /nfs/dbraw/zinc/26/78/51/1036267851.db2.gz BZYMIMLUTYOWHR-SFHVURJKSA-N 0 3 346.352 4.466 20 30 EIEDHN Cc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)s2)cc1Cl ZINC000421349834 1036292539 /nfs/dbraw/zinc/29/25/39/1036292539.db2.gz JSYOZKFYYLZEEL-GFCCVEGCSA-N 0 3 347.871 4.089 20 30 EIEDHN Cc1c(CN[C@@H](C)CC2(C#N)CCOCC2)oc2ccc(F)cc12 ZINC000602522886 1036480667 /nfs/dbraw/zinc/48/06/67/1036480667.db2.gz ZNKMRUKIJVHMIZ-ZDUSSCGKSA-N 0 3 330.403 4.069 20 30 EIEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000602699971 1036576065 /nfs/dbraw/zinc/57/60/65/1036576065.db2.gz PTHIXTXXZSRFLS-WMLDXEAASA-N 0 3 346.446 4.116 20 30 EIEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cc(F)c(Cl)cc1Cl ZINC000598601548 1036703299 /nfs/dbraw/zinc/70/32/99/1036703299.db2.gz TWHQHONUEDPFMV-VHSXEESVSA-N 0 3 333.234 4.084 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000598700732 1036751270 /nfs/dbraw/zinc/75/12/70/1036751270.db2.gz PRJAMBBKROSSCG-NQIIRXRSSA-N 0 3 348.446 4.413 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000598721099 1036760136 /nfs/dbraw/zinc/76/01/36/1036760136.db2.gz SFIZAGDQOMKGIO-IRXDYDNUSA-N 0 3 348.899 4.381 20 30 EIEDHN N#Cc1ccc(CN[C@H](C[C@H]2CCCO2)c2ccc(F)cc2)s1 ZINC000421874375 1036828224 /nfs/dbraw/zinc/82/82/24/1036828224.db2.gz IGONOSIKKORQOF-CRAIPNDOSA-N 0 3 330.428 4.159 20 30 EIEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000027449493 1036855386 /nfs/dbraw/zinc/85/53/86/1036855386.db2.gz PWBYUCWTQGZWCL-KBXCAEBGSA-N 0 3 339.439 4.082 20 30 EIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1CC(F)(F)F)CC2 ZINC000599090362 1036875435 /nfs/dbraw/zinc/87/54/35/1036875435.db2.gz DWXZTXJEZSMTPJ-SFHVURJKSA-N 0 3 330.353 4.440 20 30 EIEDHN Cc1ccc(N(C)[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)cc1 ZINC001168414788 1036892268 /nfs/dbraw/zinc/89/22/68/1036892268.db2.gz UAYNYWVVRKIGAS-QGZVFWFLSA-N 0 3 325.481 4.029 20 30 EIEDHN N#Cc1cccc(OCCNC(c2ccccc2)c2ccccc2)c1 ZINC000603838255 1037020981 /nfs/dbraw/zinc/02/09/81/1037020981.db2.gz RVQSKGPJEMACEX-UHFFFAOYSA-N 0 3 328.415 4.316 20 30 EIEDHN CCOCCCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000603926140 1037091249 /nfs/dbraw/zinc/09/12/49/1037091249.db2.gz HXDRXBCUUFFBOT-UHFFFAOYSA-N 0 3 326.415 4.126 20 30 EIEDHN Cc1oc(NC(=O)CN[C@H](c2cccc(C)c2)C(C)C)c(C#N)c1C ZINC000599626398 1037099585 /nfs/dbraw/zinc/09/95/85/1037099585.db2.gz FRHDIIZRELNOLY-IBGZPJMESA-N 0 3 339.439 4.002 20 30 EIEDHN Cc1cccc([C@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C(C)C)c1 ZINC000599626808 1037100571 /nfs/dbraw/zinc/10/05/71/1037100571.db2.gz HKPAVCUCEWRHKW-OXJNMPFZSA-N 0 3 335.451 4.181 20 30 EIEDHN C=CCn1cccc1C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000488176104 1037391685 /nfs/dbraw/zinc/39/16/85/1037391685.db2.gz BWJASAFCDAIZRO-HNNXBMFYSA-N 0 3 333.416 4.288 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@H](CC2CCCCC2)C(C)(C)C)CC1 ZINC000604652983 1037466556 /nfs/dbraw/zinc/46/65/56/1037466556.db2.gz USPASAVNLSIVQI-LJQANCHMSA-N 0 3 349.563 4.321 20 30 EIEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573413349 1037500707 /nfs/dbraw/zinc/50/07/07/1037500707.db2.gz VOQKNELQJCILPH-CZUORRHYSA-N 0 3 340.389 4.093 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)C(CC)CC)CC1 ZINC000592494497 1037820809 /nfs/dbraw/zinc/82/08/09/1037820809.db2.gz XVGYYTYZPBHROJ-HXUWFJFHSA-N 0 3 343.515 4.114 20 30 EIEDHN C=CCCCN(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000605834896 1037864711 /nfs/dbraw/zinc/86/47/11/1037864711.db2.gz TYUZYCCNFPXPNY-QGZVFWFLSA-N 0 3 349.544 4.129 20 30 EIEDHN N#Cc1ccc(C2(NCc3cccc(OC(F)F)c3)CCC2)cc1 ZINC000594031879 1038228750 /nfs/dbraw/zinc/22/87/50/1038228750.db2.gz MWOYUCYDNPXVTF-UHFFFAOYSA-N 0 3 328.362 4.329 20 30 EIEDHN N#Cc1ccc(C2(NCc3ccc(Br)cc3)CCC2)cc1 ZINC000594032758 1038241152 /nfs/dbraw/zinc/24/11/52/1038241152.db2.gz OGDPEDJQHIVTNH-UHFFFAOYSA-N 0 3 341.252 4.490 20 30 EIEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)C1(C)CCCC1 ZINC000489891018 1038258169 /nfs/dbraw/zinc/25/81/69/1038258169.db2.gz UVCFQBKKSXXIHV-HNNXBMFYSA-N 0 3 345.512 4.284 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@H]3CC3CCCC3)o2)c1 ZINC000594052954 1038295902 /nfs/dbraw/zinc/29/59/02/1038295902.db2.gz KBLFFNSJNUFYEY-SFHVURJKSA-N 0 3 336.439 4.153 20 30 EIEDHN C=CCC[C@@H](NCc1cc2ccccc2n(C)c1=O)c1ccccc1 ZINC000574582761 1038298857 /nfs/dbraw/zinc/29/88/57/1038298857.db2.gz WDJRMRSSXFJPKK-HXUWFJFHSA-N 0 3 332.447 4.336 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)NCC1(C2CCCCC2)CCCCC1 ZINC000594443379 1038334955 /nfs/dbraw/zinc/33/49/55/1038334955.db2.gz PFGZCRQTGQEXJD-GOSISDBHSA-N 0 3 333.520 4.045 20 30 EIEDHN CC(C)c1ccc([C@H]2CCCCN2C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594443848 1038335949 /nfs/dbraw/zinc/33/59/49/1038335949.db2.gz VNPZUMMLZTWHQQ-VQTJNVASSA-N 0 3 341.499 4.275 20 30 EIEDHN CCOc1cc(CNCc2ccc(C(C)(C)C#N)cc2)ccc1OC ZINC000594503433 1038351950 /nfs/dbraw/zinc/35/19/50/1038351950.db2.gz WGAKYEIICWKDCJ-UHFFFAOYSA-N 0 3 338.451 4.185 20 30 EIEDHN N#Cc1ccc(C2(N[C@H]3CCc4c3cccc4[N+](=O)[O-])CCC2)cc1 ZINC000594518190 1038361797 /nfs/dbraw/zinc/36/17/97/1038361797.db2.gz MXEOGNRBQDUILG-SFHVURJKSA-N 0 3 333.391 4.123 20 30 EIEDHN N#Cc1ccc(C2(NCc3ccc(OC(F)F)c(F)c3)CCC2)cc1 ZINC000594520856 1038361828 /nfs/dbraw/zinc/36/18/28/1038361828.db2.gz QFKQYEQZYULMEG-UHFFFAOYSA-N 0 3 346.352 4.468 20 30 EIEDHN C=C(Br)CNC1CC(c2cccc(Br)c2)C1 ZINC000168206408 1038362889 /nfs/dbraw/zinc/36/28/89/1038362889.db2.gz HJWIABOJRNAKCC-UHFFFAOYSA-N 0 3 345.078 4.193 20 30 EIEDHN CN(C(=O)[C@H](N)CCCC#N)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000424163628 1038698211 /nfs/dbraw/zinc/69/82/11/1038698211.db2.gz AKYTZGBETSPSEO-QZTJIDSGSA-N 0 3 347.890 4.051 20 30 EIEDHN C=CCCOCCN[C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000539053784 1038800671 /nfs/dbraw/zinc/80/06/71/1038800671.db2.gz GZQMGXJPLHOYNT-QGZVFWFLSA-N 0 3 327.472 4.041 20 30 EIEDHN Cc1nc(Cc2ccccc2)sc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424326965 1038808051 /nfs/dbraw/zinc/80/80/51/1038808051.db2.gz MHGBVEDBXYGTAW-XOKHGSTOSA-N 0 3 325.481 4.385 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000174091499 1038841713 /nfs/dbraw/zinc/84/17/13/1038841713.db2.gz DJGZJCHKGLFHJA-BEFAXECRSA-N 0 3 349.434 4.099 20 30 EIEDHN C=C(CN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000504905626 1038846588 /nfs/dbraw/zinc/84/65/88/1038846588.db2.gz LMVJMUZDDUZGIP-OAHLLOKOSA-N 0 3 326.396 4.358 20 30 EIEDHN C=CCc1cc(CN2CC[C@@H](C(F)(F)F)C2(C)C)cc(OC)c1O ZINC000470130976 1038899823 /nfs/dbraw/zinc/89/98/23/1038899823.db2.gz FIWMUGRLNLBYLI-OAHLLOKOSA-N 0 3 343.389 4.292 20 30 EIEDHN C=CCCc1ccccc1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000505061052 1038934602 /nfs/dbraw/zinc/93/46/02/1038934602.db2.gz IXBYNPZLNVKENB-HXUWFJFHSA-N 0 3 337.467 4.230 20 30 EIEDHN Clc1ccc(C#CCN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000539333580 1038979477 /nfs/dbraw/zinc/97/94/77/1038979477.db2.gz HQJUUZMCENNALF-GHTZIAJQSA-N 0 3 339.866 4.449 20 30 EIEDHN Cc1ccc(CN(C)Cc2ccc(Br)c(C#N)c2)cc1 ZINC001232895291 1039084033 /nfs/dbraw/zinc/08/40/33/1039084033.db2.gz LBTPINAODBTAEF-UHFFFAOYSA-N 0 3 329.241 4.261 20 30 EIEDHN C[C@@H]1CSCCN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537630442 1039166374 /nfs/dbraw/zinc/16/63/74/1039166374.db2.gz WZYOVTRSTPRLFJ-MRXNPFEDSA-N 0 3 338.476 4.075 20 30 EIEDHN COc1ccc(C#N)cc1CN(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000481343710 1039322792 /nfs/dbraw/zinc/32/27/92/1039322792.db2.gz RMEZFSNYXWXHKV-FQEVSTJZSA-N 0 3 349.478 4.497 20 30 EIEDHN N#Cc1ccc(OC2CCN(Cc3ccc4[nH]ccc4c3)CC2)c(F)c1 ZINC000600161408 1039346330 /nfs/dbraw/zinc/34/63/30/1039346330.db2.gz YVRSXKQMPDMOMR-UHFFFAOYSA-N 0 3 349.409 4.222 20 30 EIEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000481378606 1039365450 /nfs/dbraw/zinc/36/54/50/1039365450.db2.gz LDLRRYXSZYUIGP-DJJJIMSYSA-N 0 3 344.842 4.086 20 30 EIEDHN COc1cc(C#N)ccc1CN[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481399942 1039376154 /nfs/dbraw/zinc/37/61/54/1039376154.db2.gz BEKFZNVRCDUYQH-BFUOFWGJSA-N 0 3 344.842 4.086 20 30 EIEDHN CC[C@H](CN(CC)[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481730777 1039793924 /nfs/dbraw/zinc/79/39/24/1039793924.db2.gz DHGGJDPMMCLOEY-ZWKOTPCHSA-N 0 3 349.478 4.401 20 30 EIEDHN C=C[C@@H](CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000535439882 1040273204 /nfs/dbraw/zinc/27/32/04/1040273204.db2.gz IXCGNLWLTCWDNB-UNMCSNQZSA-N 0 3 348.490 4.079 20 30 EIEDHN CCCOc1ccc(C(C)(C)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000551823746 1040615033 /nfs/dbraw/zinc/61/50/33/1040615033.db2.gz VLBKONWBRLEFJH-UHFFFAOYSA-N 0 3 348.450 4.020 20 30 EIEDHN N#CC(C(=O)c1ccc2c3c(cccc31)CC2)c1cnc2ccccc2n1 ZINC000483242997 1040777480 /nfs/dbraw/zinc/77/74/80/1040777480.db2.gz LKDRMRDNMJXULZ-GOSISDBHSA-N 0 3 349.393 4.372 20 30 EIEDHN Cc1cc(C)n(-c2ccccc2CN[C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000554113512 1040808616 /nfs/dbraw/zinc/80/86/16/1040808616.db2.gz PYOOJBQARUTLII-INIZCTEOSA-N 0 3 348.425 4.351 20 30 EIEDHN C=CCOc1ccc(CN[C@@H]2CCCc3sccc32)cc1OC ZINC000160987325 1040893476 /nfs/dbraw/zinc/89/34/76/1040893476.db2.gz IBKGQUGIIMKBNK-MRXNPFEDSA-N 0 3 329.465 4.489 20 30 EIEDHN C=CCC[C@@H](CC)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000537968052 1040974191 /nfs/dbraw/zinc/97/41/91/1040974191.db2.gz OKKRQOBCFRJGFR-LLVKDONJSA-N 0 3 346.784 4.236 20 30 EIEDHN CC(C)(C)C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000538153393 1041094725 /nfs/dbraw/zinc/09/47/25/1041094725.db2.gz STHWMQHLFVUAOM-GOSISDBHSA-N 0 3 341.499 4.096 20 30 EIEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC000484076891 1041107034 /nfs/dbraw/zinc/10/70/34/1041107034.db2.gz VLNMDPDCBHEQTP-OAHLLOKOSA-N 0 3 333.353 4.330 20 30 EIEDHN Cc1ccccc1[C@@H](CC(C)C)NCC(=O)NC1(C#N)CCCCC1 ZINC000538162031 1041108106 /nfs/dbraw/zinc/10/81/06/1041108106.db2.gz XMGPZHPDEIFSBK-LJQANCHMSA-N 0 3 341.499 4.015 20 30 EIEDHN CC[C@H](C)[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000538186965 1041145901 /nfs/dbraw/zinc/14/59/01/1041145901.db2.gz DJPQVVARSFDIIE-ZRGWGRIASA-N 0 3 349.906 4.025 20 30 EIEDHN CCOCc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000538554775 1041419235 /nfs/dbraw/zinc/41/92/35/1041419235.db2.gz WRZCZZDGBZOIBO-UHFFFAOYSA-N 0 3 349.478 4.171 20 30 EIEDHN C=CCC[C@@H](NCC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000540457687 1041478434 /nfs/dbraw/zinc/47/84/34/1041478434.db2.gz HNSVGNWRRXEHHD-OXJNMPFZSA-N 0 3 340.442 4.300 20 30 EIEDHN CC(C)Oc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000538739110 1041512715 /nfs/dbraw/zinc/51/27/15/1041512715.db2.gz GMRCHXLMUJJNSG-UHFFFAOYSA-N 0 3 349.478 4.058 20 30 EIEDHN Cc1nc(N[C@@H](CN2CCCC2)c2ccccc2)c(Cl)cc1C#N ZINC000461722002 1041572581 /nfs/dbraw/zinc/57/25/81/1041572581.db2.gz WUHUMAOZTUCZIS-SFHVURJKSA-N 0 3 340.858 4.164 20 30 EIEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000540778391 1041663973 /nfs/dbraw/zinc/66/39/73/1041663973.db2.gz GJWGADNHVZLFOJ-LBPRGKRZSA-N 0 3 334.872 4.021 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N(CCC(C)C)C2CCCC2)CC1 ZINC000517324067 1041960164 /nfs/dbraw/zinc/96/01/64/1041960164.db2.gz LRYZNLMLXBZBJN-UHFFFAOYSA-N 0 3 335.536 4.027 20 30 EIEDHN N#CC(C(=O)c1cc(F)cc(Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000464407141 1041999631 /nfs/dbraw/zinc/99/96/31/1041999631.db2.gz FYGAHCXFNGJZTQ-GFCCVEGCSA-N 0 3 342.679 4.383 20 30 EIEDHN C=CCOc1ccc(CN2CCC(OCc3ccccc3)CC2)cc1 ZINC000506284361 1042250288 /nfs/dbraw/zinc/25/02/88/1042250288.db2.gz VZDGOQGVNKDXGG-UHFFFAOYSA-N 0 3 337.463 4.433 20 30 EIEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000303487647 1042447481 /nfs/dbraw/zinc/44/74/81/1042447481.db2.gz KFGALNJYERMLFR-JOCHJYFZSA-N 0 3 349.478 4.262 20 30 EIEDHN CCC(=O)Nc1cccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000518276946 1042455259 /nfs/dbraw/zinc/45/52/59/1042455259.db2.gz TZNQNBIUFYWNKD-OAQYLSRUSA-N 0 3 347.462 4.464 20 30 EIEDHN C#CCN(C)CCCNC(=S)Nc1c(C(C)C)cccc1C(C)C ZINC000491679324 1042487677 /nfs/dbraw/zinc/48/76/77/1042487677.db2.gz DZTUQLHYXSAENE-UHFFFAOYSA-N 0 3 345.556 4.175 20 30 EIEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)CCOCc1ccc(C#N)cc1 ZINC000518607839 1042585463 /nfs/dbraw/zinc/58/54/63/1042585463.db2.gz QVBFGLIKLDSNOF-AWEZNQCLSA-N 0 3 330.378 4.046 20 30 EIEDHN CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)c1c(F)cccc1F ZINC000271978890 1042601848 /nfs/dbraw/zinc/60/18/48/1042601848.db2.gz WMHVAEXVYAXJLD-XTDINYQCSA-N 0 3 348.368 4.138 20 30 EIEDHN COc1ccc([C@@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)cc1 ZINC000439452152 1042636225 /nfs/dbraw/zinc/63/62/25/1042636225.db2.gz LYKZSTLSXJOTJM-MRXNPFEDSA-N 0 3 326.827 4.210 20 30 EIEDHN CC(C)c1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000272091396 1042722597 /nfs/dbraw/zinc/72/25/97/1042722597.db2.gz DFPIIBGQCDNNJC-UHFFFAOYSA-N 0 3 344.462 4.372 20 30 EIEDHN CCOc1c(Cl)cc(CNCc2ccc(C#N)c(C)c2)cc1OC ZINC000443991947 1042735667 /nfs/dbraw/zinc/73/56/67/1042735667.db2.gz XKZYGPUWLXWXRC-UHFFFAOYSA-N 0 3 344.842 4.217 20 30 EIEDHN CCC(CC)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000520598393 1042916212 /nfs/dbraw/zinc/91/62/12/1042916212.db2.gz JUVLEDUVDIBWLC-UHFFFAOYSA-N 0 3 347.890 4.240 20 30 EIEDHN Cc1c(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cnn1C ZINC000542948121 1043056736 /nfs/dbraw/zinc/05/67/36/1043056736.db2.gz PAZRYYFVFULXES-HNNXBMFYSA-N 0 3 330.435 4.118 20 30 EIEDHN Cc1cc(CNCc2cccc(C#N)c2)ccc1Oc1cccnc1 ZINC000112371708 1043094060 /nfs/dbraw/zinc/09/40/60/1043094060.db2.gz IJASPAKMBNSLBC-UHFFFAOYSA-N 0 3 329.403 4.344 20 30 EIEDHN C[C@H](NC(C)(C)c1cccs1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000543504090 1043165617 /nfs/dbraw/zinc/16/56/17/1043165617.db2.gz GBDYKUZZTHAFKA-NSHDSACASA-N 0 3 347.871 4.125 20 30 EIEDHN COc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1OC1CCCC1 ZINC000185824535 1043221901 /nfs/dbraw/zinc/22/19/01/1043221901.db2.gz NHCJIUORTBDOTN-NVXWUHKLSA-N 0 3 328.456 4.189 20 30 EIEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OCC(F)(F)F)c1 ZINC000185862439 1043226385 /nfs/dbraw/zinc/22/63/85/1043226385.db2.gz FMSNEDNJNDMOLL-UKRRQHHQSA-N 0 3 326.362 4.108 20 30 EIEDHN CC[C@@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)N(CC)CC ZINC000765965035 1043282519 /nfs/dbraw/zinc/28/25/19/1043282519.db2.gz BRXCCNBQVUYFEQ-JSGCOSHPSA-N 0 3 349.887 4.246 20 30 EIEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1csc2ccccc21 ZINC000730018827 1043435465 /nfs/dbraw/zinc/43/54/65/1043435465.db2.gz AZZXZFRDUZUAEY-KGLIPLIRSA-N 0 3 349.459 4.451 20 30 EIEDHN CC(C)CCSCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730417773 1043509884 /nfs/dbraw/zinc/50/98/84/1043509884.db2.gz QULDNCGXHXYJIF-LBPRGKRZSA-N 0 3 336.457 4.391 20 30 EIEDHN N#CC(C(=O)CCc1nc2cc(Cl)ccc2s1)c1ccccn1 ZINC000730687289 1043589454 /nfs/dbraw/zinc/58/94/54/1043589454.db2.gz UOAISQJRXNWANN-GFCCVEGCSA-N 0 3 341.823 4.154 20 30 EIEDHN CCOc1c(Cl)cc(CN[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000078878167 1043804849 /nfs/dbraw/zinc/80/48/49/1043804849.db2.gz CYYSJHIPCYZAFJ-CYBMUJFWSA-N 0 3 344.842 4.470 20 30 EIEDHN CCCN(Cc1ccc(C#N)c(OC)c1)[C@@H]1CCCc2cccnc21 ZINC000442854398 1043875434 /nfs/dbraw/zinc/87/54/34/1043875434.db2.gz NVTWVTDWXUDEJS-LJQANCHMSA-N 0 3 335.451 4.251 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000442899009 1043891988 /nfs/dbraw/zinc/89/19/88/1043891988.db2.gz MLUSNJXUEFKKJR-INIZCTEOSA-N 0 3 346.430 4.180 20 30 EIEDHN C#CCOc1ccc(CNCc2cccc(OC3CCCC3)c2)cc1 ZINC000733327737 1044195980 /nfs/dbraw/zinc/19/59/80/1044195980.db2.gz ABZFLQGQPPITQO-UHFFFAOYSA-N 0 3 335.447 4.310 20 30 EIEDHN Cc1cc(Br)ccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000174075041 1044217683 /nfs/dbraw/zinc/21/76/83/1044217683.db2.gz HBPRIDSLXLGKRT-CYBMUJFWSA-N 0 3 329.241 4.480 20 30 EIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000518898664 1044444685 /nfs/dbraw/zinc/44/46/85/1044444685.db2.gz WMVUYYNYAHJGSH-UHFFFAOYSA-N 0 3 333.435 4.069 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCCCC)C(C)(C)C)CC1 ZINC000734531274 1044599691 /nfs/dbraw/zinc/59/96/91/1044599691.db2.gz ZUYVWKXGDLFMJW-SFHVURJKSA-N 0 3 337.552 4.321 20 30 EIEDHN C[C@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H](C)C1 ZINC000443644950 1044603796 /nfs/dbraw/zinc/60/37/96/1044603796.db2.gz ZOVRZXRHSUDYJB-IRXDYDNUSA-N 0 3 337.467 4.106 20 30 EIEDHN Cc1cnn(C)c1CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367144877 1044631984 /nfs/dbraw/zinc/63/19/84/1044631984.db2.gz QBJWLXLESAJOLL-MRXNPFEDSA-N 0 3 330.435 4.118 20 30 EIEDHN C=CC[C@H](CO)CN[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000495063588 1044632355 /nfs/dbraw/zinc/63/23/55/1044632355.db2.gz HCSXDUGGASJBAR-LIRRHRJNSA-N 0 3 333.834 4.343 20 30 EIEDHN C=C(C)COc1cc(CN2CC[C@@H](c3nccs3)C2)ccc1OC ZINC000895583669 1044815843 /nfs/dbraw/zinc/81/58/43/1044815843.db2.gz NHZGUNIXJPLVPP-MRXNPFEDSA-N 0 3 344.480 4.096 20 30 EIEDHN CSC[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000429293407 1044898720 /nfs/dbraw/zinc/89/87/20/1044898720.db2.gz NEECPWZGIJUGRI-OAHLLOKOSA-N 0 3 343.414 4.012 20 30 EIEDHN Cc1ccc(CNCc2ccc(OCC(F)(F)F)cc2)cc1C#N ZINC000922758992 1044928360 /nfs/dbraw/zinc/92/83/60/1044928360.db2.gz IJGZGVKQVRJQKX-UHFFFAOYSA-N 0 3 334.341 4.098 20 30 EIEDHN CCOc1cc(C)ccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000153446748 1045001043 /nfs/dbraw/zinc/00/10/43/1045001043.db2.gz XUHFEKCZFVVSST-UHFFFAOYSA-N 0 3 337.467 4.033 20 30 EIEDHN Cc1nccn1-c1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272267934 1045015579 /nfs/dbraw/zinc/01/55/79/1045015579.db2.gz MTWKRXBAROPBBY-MRXNPFEDSA-N 0 3 342.446 4.392 20 30 EIEDHN C=CC[C@@H](N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccncc1 ZINC000766021931 1045236661 /nfs/dbraw/zinc/23/66/61/1045236661.db2.gz VOZHIKIRIGCQFT-KBXCAEBGSA-N 0 3 335.451 4.279 20 30 EIEDHN C=CC[C@@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccncc1 ZINC000766021988 1045237265 /nfs/dbraw/zinc/23/72/65/1045237265.db2.gz VRBRHLNIIASJIG-OXQOHEQNSA-N 0 3 335.451 4.176 20 30 EIEDHN COC(=O)CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611394172 1045299320 /nfs/dbraw/zinc/29/93/20/1045299320.db2.gz OFSAHLHQQYDYST-SFTDATJTSA-N 0 3 348.446 4.220 20 30 EIEDHN N#CCCN(C(=O)CN[C@H](CC1CC1)c1ccccc1)c1ccccc1 ZINC000611395641 1045300649 /nfs/dbraw/zinc/30/06/49/1045300649.db2.gz LNFLVMRRAVTOAP-OAQYLSRUSA-N 0 3 347.462 4.064 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(-n2ccnc2)c(F)c1 ZINC000611391338 1045302021 /nfs/dbraw/zinc/30/20/21/1045302021.db2.gz BUQMINUJJVNBHO-HXUWFJFHSA-N 0 3 346.409 4.050 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN(C)CCOc2cccc(Cl)c2)cc1 ZINC000768213870 1045753364 /nfs/dbraw/zinc/75/33/64/1045753364.db2.gz VLWDOAUWZOSOSR-OAHLLOKOSA-N 0 3 344.842 4.142 20 30 EIEDHN Cc1c(CN(C)Cc2cccc(C#N)c2)sc2nc(C)nc(C)c12 ZINC000768263024 1045772578 /nfs/dbraw/zinc/77/25/78/1045772578.db2.gz OXKYUPDXGCCLOB-UHFFFAOYSA-N 0 3 336.464 4.120 20 30 EIEDHN CC(C)(Oc1ccc(F)cc1)C(=O)C(C#N)c1nccc2ccccc21 ZINC000792092239 1045861486 /nfs/dbraw/zinc/86/14/86/1045861486.db2.gz AJEJKJXNMCIDNG-GOSISDBHSA-N 0 3 348.377 4.408 20 30 EIEDHN C#CCN(Cc1ccc(NC(=O)OC(C)(C)C)nc1)C1CCCCC1 ZINC000769146075 1045884471 /nfs/dbraw/zinc/88/44/71/1045884471.db2.gz NQWSMOFJOCIXDE-UHFFFAOYSA-N 0 3 343.471 4.197 20 30 EIEDHN C#CCCOc1ccc(CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000769218120 1045895827 /nfs/dbraw/zinc/89/58/27/1045895827.db2.gz NSDMRESTFFJJHE-UHFFFAOYSA-N 0 3 341.495 4.402 20 30 EIEDHN N#Cc1ccc([C@@H](O)CN2CCCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000770000268 1046124978 /nfs/dbraw/zinc/12/49/78/1046124978.db2.gz AVVCPUISESOAML-PMACEKPBSA-N 0 3 340.854 4.472 20 30 EIEDHN C=CCOc1ccccc1CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000793615243 1046311276 /nfs/dbraw/zinc/31/12/76/1046311276.db2.gz NNSSSLWZGJVORN-JKSUJKDBSA-N 0 3 326.267 4.267 20 30 EIEDHN C=CCC[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC001127417595 1046324447 /nfs/dbraw/zinc/32/44/47/1046324447.db2.gz YOSTUJIOPHHLDI-OAQYLSRUSA-N 0 3 340.511 4.213 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCC(C)(F)F)cc1 ZINC000916916302 1046448975 /nfs/dbraw/zinc/44/89/75/1046448975.db2.gz WTCNHKWBYZAZDE-HNNXBMFYSA-N 0 3 336.382 4.112 20 30 EIEDHN N#Cc1ccc(N2CCC(NCc3cscc3Cl)CC2)cc1 ZINC000771953223 1046534668 /nfs/dbraw/zinc/53/46/68/1046534668.db2.gz QHVMECDRRPFJCD-UHFFFAOYSA-N 0 3 331.872 4.032 20 30 EIEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000747205089 1046725862 /nfs/dbraw/zinc/72/58/62/1046725862.db2.gz PKPDGTNKWVOYAG-DZGCQCFKSA-N 0 3 330.478 4.436 20 30 EIEDHN N#CC(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1nc2ccccc2[nH]1 ZINC000786273935 1046822990 /nfs/dbraw/zinc/82/29/90/1046822990.db2.gz CEKVWIDRFUACBO-MXWKQRLJSA-N 0 3 341.823 4.258 20 30 EIEDHN CSc1cc(Br)ccc1CNCC(C)(C)CC#N ZINC000459728213 1046865517 /nfs/dbraw/zinc/86/55/17/1046865517.db2.gz IIGFWKREOKFKMH-UHFFFAOYSA-N 0 3 327.291 4.200 20 30 EIEDHN CCOc1ccc([C@H]2CCCN2CCOc2ccccc2C#N)cc1 ZINC000497605352 1046887742 /nfs/dbraw/zinc/88/77/42/1046887742.db2.gz GBJPGZXUNNRBNR-HXUWFJFHSA-N 0 3 336.435 4.173 20 30 EIEDHN Cc1c([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cnn1-c1ccccc1 ZINC000787025355 1046893601 /nfs/dbraw/zinc/89/36/01/1046893601.db2.gz GEPZJQDTHXMXPD-OYHNWAKOSA-N 0 3 342.446 4.391 20 30 EIEDHN Cc1cccc([C@H](NCC(=O)NC2(C#N)CCCCC2)C(C)(C)C)c1 ZINC000537135153 1046977093 /nfs/dbraw/zinc/97/70/93/1046977093.db2.gz JGAPVCHNSPOCSP-IBGZPJMESA-N 0 3 341.499 4.015 20 30 EIEDHN CCC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000537292234 1047071907 /nfs/dbraw/zinc/07/19/07/1047071907.db2.gz XLRAMJCSDBZWRP-GOSISDBHSA-N 0 3 338.455 4.447 20 30 EIEDHN CC(C)(C#N)CCN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000537387032 1047175150 /nfs/dbraw/zinc/17/51/50/1047175150.db2.gz XJQMCZTXZGQKQX-UHFFFAOYSA-N 0 3 329.271 4.118 20 30 EIEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(-n2cccn2)c1 ZINC000537406633 1047199767 /nfs/dbraw/zinc/19/97/67/1047199767.db2.gz FTSUWCYSLUBVDG-HUUCEWRRSA-N 0 3 334.398 4.295 20 30 EIEDHN CC(C)(C)[C@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000550706298 1047822371 /nfs/dbraw/zinc/82/23/71/1047822371.db2.gz CUOYFYVMTJXGSS-HXUWFJFHSA-N 0 3 340.442 4.107 20 30 EIEDHN C[C@@H]1C(N=Nc2cnnc3ccccc23)CCCN1Cc1ccccc1 ZINC000814849367 1048204753 /nfs/dbraw/zinc/20/47/53/1048204753.db2.gz RTJRZCKIIRWFDD-MRXNPFEDSA-N 0 3 345.450 4.082 20 30 EIEDHN C=CCc1cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c([O-])c(OC)c1 ZINC000844256937 1048269212 /nfs/dbraw/zinc/26/92/12/1048269212.db2.gz AMTXHEYCTAUPOJ-FQEVSTJZSA-N 0 3 337.463 4.336 20 30 EIEDHN C=CCc1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c([O-])c(OC)c1 ZINC000844256937 1048269235 /nfs/dbraw/zinc/26/92/35/1048269235.db2.gz AMTXHEYCTAUPOJ-FQEVSTJZSA-N 0 3 337.463 4.336 20 30 EIEDHN C=CCC(C)(C)CNCc1c(F)ccc(C2OCCO2)c1Cl ZINC000815141758 1048363837 /nfs/dbraw/zinc/36/38/37/1048363837.db2.gz GURHJCLVQFLAHN-UHFFFAOYSA-N 0 3 327.827 4.216 20 30 EIEDHN C#Cc1ccc(CNc2ccc(CN3CCSCC3)cc2C)cc1 ZINC000809600702 1048435467 /nfs/dbraw/zinc/43/54/67/1048435467.db2.gz XPUQPWNOFUYYKC-UHFFFAOYSA-N 0 3 336.504 4.137 20 30 EIEDHN C#Cc1ccc(CN[C@@H](Cn2ccnc2)c2ccc(C)cc2C)cc1 ZINC000809627844 1048441742 /nfs/dbraw/zinc/44/17/42/1048441742.db2.gz HXYCYNZPWOXAGI-QFIPXVFZSA-N 0 3 329.447 4.012 20 30 EIEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128840 1048639126 /nfs/dbraw/zinc/63/91/26/1048639126.db2.gz KDNLHFDEOXYZFH-IRXDYDNUSA-N 0 3 347.462 4.487 20 30 EIEDHN C[C@@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C(C)(F)F ZINC000815913723 1048640652 /nfs/dbraw/zinc/64/06/52/1048640652.db2.gz ZFDXBBOIYWORAI-CBAPKCEASA-N 0 3 328.771 4.417 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)N1CC2(CC(OCc3ccccc3)C2)C1 ZINC001171229462 1048870058 /nfs/dbraw/zinc/87/00/58/1048870058.db2.gz NQTLWVCNDAMNLD-GOSISDBHSA-N 0 3 346.474 4.170 20 30 EIEDHN O[C@@H](C[C@@H]1CCCCCN1CC#Cc1ccc(F)cc1)c1ccco1 ZINC000747660862 1048899118 /nfs/dbraw/zinc/89/91/18/1048899118.db2.gz WGISLZMUVFTUKR-PMACEKPBSA-N 0 3 341.426 4.139 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817412014 1048962837 /nfs/dbraw/zinc/96/28/37/1048962837.db2.gz BDDVNEYUHYWQNY-UKRRQHHQSA-N 0 3 326.362 4.142 20 30 EIEDHN C#Cc1ccc(CN[C@H](C)c2ccc(N3CCCCC3=O)cc2)cc1 ZINC000811520007 1049106991 /nfs/dbraw/zinc/10/69/91/1049106991.db2.gz IMCZXYYSOSZTHA-QGZVFWFLSA-N 0 3 332.447 4.036 20 30 EIEDHN CC(=NNC[C@@H]1CCSC1)c1ccc(N2CCCCCC2)cc1 ZINC000811659935 1049198379 /nfs/dbraw/zinc/19/83/79/1049198379.db2.gz BXKKHSAQQJTOHB-KRWDZBQOSA-N 0 3 331.529 4.134 20 30 EIEDHN N#Cc1ccc(CN(CC[C@@H]2CCCO2)Cc2cccc(F)c2)cc1 ZINC000195600418 1049261525 /nfs/dbraw/zinc/26/15/25/1049261525.db2.gz KHZOWLYQSFFTKN-NRFANRHFSA-N 0 3 338.426 4.269 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2ccc(SC)c(OC)c2)cc1C#N ZINC000773084583 1049569086 /nfs/dbraw/zinc/56/90/86/1049569086.db2.gz UILIXCLLWIBNLG-ZDUSSCGKSA-N 0 3 342.464 4.148 20 30 EIEDHN C#C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000812794342 1049592100 /nfs/dbraw/zinc/59/21/00/1049592100.db2.gz YYRXNTWZWPYXHJ-ORFBVSJDSA-N 0 3 332.422 4.494 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000237576620 1049633190 /nfs/dbraw/zinc/63/31/90/1049633190.db2.gz JQKVMYPVSHPBQS-CYBMUJFWSA-N 0 3 334.341 4.286 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000237604893 1049659693 /nfs/dbraw/zinc/65/96/93/1049659693.db2.gz VZSVLVSAQHTUSC-FZKQIMNGSA-N 0 3 342.439 4.443 20 30 EIEDHN C#CCOc1ccc(CNCc2ccc(F)cc2C(F)(F)F)cc1 ZINC000237745461 1049735975 /nfs/dbraw/zinc/73/59/75/1049735975.db2.gz GVQQRPNTGBFPSO-UHFFFAOYSA-N 0 3 337.316 4.146 20 30 EIEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CCC2)C[C@@H]1C(C)(C)C ZINC001171584587 1049751240 /nfs/dbraw/zinc/75/12/40/1049751240.db2.gz IRJZXBLJYQLVHT-HZPDHXFCSA-N 0 3 349.519 4.084 20 30 EIEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H](C)CCc1ccc(C)cc1)C2 ZINC001171672689 1049775372 /nfs/dbraw/zinc/77/53/72/1049775372.db2.gz CXFGSUWOXVVPTA-ILWGZMRPSA-N 0 3 343.511 4.142 20 30 EIEDHN C#CCCOc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000237840630 1049780406 /nfs/dbraw/zinc/78/04/06/1049780406.db2.gz DOYMXGJLTNNDGX-UHFFFAOYSA-N 0 3 333.353 4.397 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172313960 1049875542 /nfs/dbraw/zinc/87/55/42/1049875542.db2.gz DMKSYRARRHJQRA-QGZVFWFLSA-N 0 3 347.437 4.186 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@@H](CO)c1ccc(Cl)cc1Cl ZINC001172293100 1049881684 /nfs/dbraw/zinc/88/16/84/1049881684.db2.gz BFGXDGGCUXCQHT-SGTLLEGYSA-N 0 3 349.261 4.119 20 30 EIEDHN COc1cc(Br)ccc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000248989471 1050087620 /nfs/dbraw/zinc/08/76/20/1050087620.db2.gz NBJVWDJRUFMXPE-SCRDCRAPSA-N 0 3 337.261 4.191 20 30 EIEDHN C[C@H](Cc1ccc(F)cc1Cl)NC(=N)c1ccc2ccccc2n1 ZINC001172861419 1050199251 /nfs/dbraw/zinc/19/92/51/1050199251.db2.gz RJWLOLICMDHUNT-GFCCVEGCSA-N 0 3 341.817 4.364 20 30 EIEDHN C[C@@H](NCc1cc(N(C)C)nc2ccccc12)c1cccc(C#N)c1 ZINC000181842937 1050352482 /nfs/dbraw/zinc/35/24/82/1050352482.db2.gz UGFUJUDAYNNEHJ-OAHLLOKOSA-N 0 3 330.435 4.023 20 30 EIEDHN C=CCOC1CCC(NCc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001173312456 1050406956 /nfs/dbraw/zinc/40/69/56/1050406956.db2.gz HMCHQYLYNGBSJX-UHFFFAOYSA-N 0 3 348.796 4.357 20 30 EIEDHN C=CCOC1CCC(N[C@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001173314359 1050438591 /nfs/dbraw/zinc/43/85/91/1050438591.db2.gz OXOLJGPXMPAMPF-MQBCKMQZSA-N 0 3 344.282 4.130 20 30 EIEDHN CC1(C#N)CCC(N[C@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001173588928 1050495069 /nfs/dbraw/zinc/49/50/69/1050495069.db2.gz NULILAGVXOWJLF-DSSZZKGTSA-N 0 3 327.255 4.089 20 30 EIEDHN N#CCCCOc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741339 1050500232 /nfs/dbraw/zinc/50/02/32/1050500232.db2.gz FBVGVYOUNATJNH-OAQYLSRUSA-N 0 3 331.419 4.018 20 30 EIEDHN Cc1cc(Br)ccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618741730 1050501661 /nfs/dbraw/zinc/50/16/61/1050501661.db2.gz MADQVFJXHXKSKN-GOSISDBHSA-N 0 3 341.252 4.406 20 30 EIEDHN C#CCOc1cccc(Cl)c1CN[C@@H](C)Cc1ccccc1OC ZINC001178600940 1050514181 /nfs/dbraw/zinc/51/41/81/1050514181.db2.gz BAGBVNGOMSHXBQ-HNNXBMFYSA-N 0 3 343.854 4.081 20 30 EIEDHN CN(C)Cc1ccccc1Nc1cc(Br)ccc1C#N ZINC001173930116 1050650823 /nfs/dbraw/zinc/65/08/23/1050650823.db2.gz QKQYZSSKRLPQAV-UHFFFAOYSA-N 0 3 330.229 4.126 20 30 EIEDHN CN(C)Cc1ccccc1Nc1cc(C#N)ccc1Br ZINC001173931539 1050652315 /nfs/dbraw/zinc/65/23/15/1050652315.db2.gz KZLNOPIYHGHUQI-UHFFFAOYSA-N 0 3 330.229 4.126 20 30 EIEDHN CN(C)Cc1ccccc1Nc1ccc(OC(F)(F)F)cc1C#N ZINC001173932588 1050652552 /nfs/dbraw/zinc/65/25/52/1050652552.db2.gz XKNQGTRRYCEFBB-UHFFFAOYSA-N 0 3 335.329 4.262 20 30 EIEDHN CN(C)Cc1ccccc1Nc1cc(Br)cc(F)c1C#N ZINC001173931252 1050652641 /nfs/dbraw/zinc/65/26/41/1050652641.db2.gz YBEWHAJOIPADIB-UHFFFAOYSA-N 0 3 348.219 4.265 20 30 EIEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC001179516233 1050705344 /nfs/dbraw/zinc/70/53/44/1050705344.db2.gz VGMXCJBWUUMVBY-AWEZNQCLSA-N 0 3 349.352 4.448 20 30 EIEDHN C=C(C)COc1cc(CNCc2ccc(C)c(C#N)c2)ccc1OC ZINC001179562555 1050716843 /nfs/dbraw/zinc/71/68/43/1050716843.db2.gz FLFHNSJXRYHVPL-UHFFFAOYSA-N 0 3 336.435 4.120 20 30 EIEDHN COc1ccc(C(N[C@@H]2CC[C@@H](C#N)C2)c2ccc(OC)cc2)cc1 ZINC000619672383 1050850918 /nfs/dbraw/zinc/85/09/18/1050850918.db2.gz NPVNQARBWAUHIJ-CRAIPNDOSA-N 0 3 336.435 4.075 20 30 EIEDHN N#Cc1ccc(CN2CCC(Nc3ccc4ncsc4c3)CC2)cc1 ZINC000182880569 1050858888 /nfs/dbraw/zinc/85/88/88/1050858888.db2.gz RJZKMASLZOZDHX-UHFFFAOYSA-N 0 3 348.475 4.244 20 30 EIEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619754747 1050883402 /nfs/dbraw/zinc/88/34/02/1050883402.db2.gz JQKBVJRVJZNFOD-IBGZPJMESA-N 0 3 326.827 4.387 20 30 EIEDHN C#Cc1cccc(NC(=O)CN(C)[C@@H]2CC[C@](C)(c3ccccc3)C2)c1 ZINC001180161478 1050906404 /nfs/dbraw/zinc/90/64/04/1050906404.db2.gz FCLLYXHQVBCSDD-GGAORHGYSA-N 0 3 346.474 4.049 20 30 EIEDHN C=CCCc1ccccc1NC1CCC(C)(N2CCOCC2)CC1 ZINC001181162478 1051180309 /nfs/dbraw/zinc/18/03/09/1051180309.db2.gz ISNCFJYLFRZMRZ-UHFFFAOYSA-N 0 3 328.500 4.251 20 30 EIEDHN CCCCN(Cc1ccccc1F)C[C@H](O)c1cccc(C#N)c1 ZINC001190761496 1051262656 /nfs/dbraw/zinc/26/26/56/1051262656.db2.gz QXBOKEMRESSGRX-FQEVSTJZSA-N 0 3 326.415 4.033 20 30 EIEDHN CCCCN(Cc1ccccc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001190761497 1051263238 /nfs/dbraw/zinc/26/32/38/1051263238.db2.gz QXBOKEMRESSGRX-HXUWFJFHSA-N 0 3 326.415 4.033 20 30 EIEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(C)c2C)c(C#N)c1C ZINC000183734532 1051324281 /nfs/dbraw/zinc/32/42/81/1051324281.db2.gz OAOVLLWCAJCUHJ-GJZGRUSLSA-N 0 3 339.439 4.063 20 30 EIEDHN CCCCN(CC)[C@@H](C(=O)N[C@H](C#N)c1ccccc1)c1ccccc1 ZINC001182230825 1051429709 /nfs/dbraw/zinc/42/97/09/1051429709.db2.gz FFIRQFUUOBAROG-NHCUHLMSSA-N 0 3 349.478 4.231 20 30 EIEDHN CCCCN(CC)[C@H](C(=O)N[C@H]1CC[C@H](C#N)CC1)c1ccccc1 ZINC001182237396 1051432822 /nfs/dbraw/zinc/43/28/22/1051432822.db2.gz VURMZVFCWWXYGU-IHPCNDPISA-N 0 3 341.499 4.048 20 30 EIEDHN CC(C)[C@@H](O)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001191634910 1051495314 /nfs/dbraw/zinc/49/53/14/1051495314.db2.gz CORZGLPPGKNWLW-NRFANRHFSA-N 0 3 340.442 4.107 20 30 EIEDHN C[C@@H](NCc1ccccc1C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000271799592 1051552677 /nfs/dbraw/zinc/55/26/77/1051552677.db2.gz JWKCTVIODPEJBS-CYBMUJFWSA-N 0 3 334.341 4.459 20 30 EIEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000774382156 1051569069 /nfs/dbraw/zinc/56/90/69/1051569069.db2.gz SDULGOHWICFWEA-SUNKGSAMSA-N 0 3 325.239 4.489 20 30 EIEDHN N#Cc1c(F)ccc(F)c1N=C1CCN(Cc2ccccc2)CC1 ZINC001175506720 1051639193 /nfs/dbraw/zinc/63/91/93/1051639193.db2.gz FKMJOGSAHPNNJH-UHFFFAOYSA-N 0 3 325.362 4.038 20 30 EIEDHN N#Cc1c(F)ccc(F)c1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506720 1051639197 /nfs/dbraw/zinc/63/91/97/1051639197.db2.gz FKMJOGSAHPNNJH-UHFFFAOYSA-N 0 3 325.362 4.038 20 30 EIEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](CO)c1ccccc1 ZINC001175661480 1051718125 /nfs/dbraw/zinc/71/81/25/1051718125.db2.gz OAXVMZYBYVZWGF-SFHVURJKSA-N 0 3 348.368 4.133 20 30 EIEDHN C=CCC[C@@H](NC/C=C\C(=O)OCC)c1ccc(C(F)(F)F)cc1 ZINC001192635736 1051785610 /nfs/dbraw/zinc/78/56/10/1051785610.db2.gz QLZGBVSMWKNISR-QKIRZYONSA-N 0 3 341.373 4.422 20 30 EIEDHN N#CCC[C@@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775553867 1051833340 /nfs/dbraw/zinc/83/33/40/1051833340.db2.gz RSZPFXNUBDLZFB-MSOLQXFVSA-N 0 3 348.368 4.373 20 30 EIEDHN C[C@@H]1CCC[C@H](CCN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001193324979 1051901233 /nfs/dbraw/zinc/90/12/33/1051901233.db2.gz XEXWBDCZNKLYKQ-OPYAIIAOSA-N 0 3 343.490 4.224 20 30 EIEDHN CC(C)[C@@H](CN1CCO[C@H](c2ccc(C#N)cc2)C1)c1ccccc1 ZINC001184044985 1051943592 /nfs/dbraw/zinc/94/35/92/1051943592.db2.gz GTAJJGDUYHNBIX-YADHBBJMSA-N 0 3 334.463 4.371 20 30 EIEDHN C#CCC1(NCc2coc(-c3c(F)cccc3F)n2)CCCCC1 ZINC001176434116 1052055070 /nfs/dbraw/zinc/05/50/70/1052055070.db2.gz ZWXWOXPCWVJFRD-UHFFFAOYSA-N 0 3 330.378 4.436 20 30 EIEDHN C=CCOC(=O)N(C(CC)CC)C1CCN(Cc2ccccc2)CC1 ZINC001194310437 1052125809 /nfs/dbraw/zinc/12/58/09/1052125809.db2.gz YILJBHDMAHDBGV-UHFFFAOYSA-N 0 3 344.499 4.464 20 30 EIEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCCCCCC1 ZINC001194400522 1052140176 /nfs/dbraw/zinc/14/01/76/1052140176.db2.gz JEENWHOJMLPJAE-QGZVFWFLSA-N 0 3 345.462 4.117 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000171581866 1052437352 /nfs/dbraw/zinc/43/73/52/1052437352.db2.gz XQPPYQZMPFQCJA-UHFFFAOYSA-N 0 3 349.478 4.100 20 30 EIEDHN CC(C)(C)C[C@@H]1CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000072584186 1052459549 /nfs/dbraw/zinc/45/95/49/1052459549.db2.gz LLCJUKJAFOQUIU-HNNXBMFYSA-N 0 3 345.512 4.141 20 30 EIEDHN C=CCc1cc(CNC(C)(C)c2ccc(F)c(F)c2)cc(OC)c1O ZINC000175990343 1052603440 /nfs/dbraw/zinc/60/34/40/1052603440.db2.gz WUAJERBXCOAINE-UHFFFAOYSA-N 0 3 347.405 4.432 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(OC)c(OC3CC3)c2)cc1 ZINC000623521188 1052670319 /nfs/dbraw/zinc/67/03/19/1052670319.db2.gz NBKHNZMVESYSCO-UHFFFAOYSA-N 0 3 339.435 4.091 20 30 EIEDHN C=CCOc1c(Cl)cc(CNCC2(C(F)(F)F)CC2)cc1OC ZINC000623523086 1052671741 /nfs/dbraw/zinc/67/17/41/1052671741.db2.gz JGLUQWAGGSJFSU-UHFFFAOYSA-N 0 3 349.780 4.346 20 30 EIEDHN COc1ccc2cc(CNCc3ccc(OCC#N)cc3)ccc2c1 ZINC000073380851 1052934891 /nfs/dbraw/zinc/93/48/91/1052934891.db2.gz FWAOZCSNFAMDQT-UHFFFAOYSA-N 0 3 332.403 4.041 20 30 EIEDHN N#Cc1cccc(OCCCN2CCc3c(Cl)cc(F)cc3C2)c1 ZINC001194754422 1053082597 /nfs/dbraw/zinc/08/25/97/1053082597.db2.gz DDJGXJIVMIUFCK-UHFFFAOYSA-N 0 3 344.817 4.178 20 30 EIEDHN C[Si](C)(C)c1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC001195557694 1053426265 /nfs/dbraw/zinc/42/62/65/1053426265.db2.gz IUCSMXIKHPCQKV-UHFFFAOYSA-N 0 3 334.539 4.272 20 30 EIEDHN Cc1ccc(CN2CCN(Cc3ccccc3)C[C@@H]2C(C)C)cc1C#N ZINC001196301644 1053636162 /nfs/dbraw/zinc/63/61/62/1053636162.db2.gz BFFKAWSHUHEWKG-HSZRJFAPSA-N 0 3 347.506 4.209 20 30 EIEDHN C=CC[C@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccncc1 ZINC000765612707 1053809977 /nfs/dbraw/zinc/80/99/77/1053809977.db2.gz JIJQRILDPLWBHM-IBGZPJMESA-N 0 3 338.451 4.444 20 30 EIEDHN N#Cc1cc(CN2CCCCC[C@H]2C[C@@H](O)c2ccco2)ccc1F ZINC000121778694 1053847977 /nfs/dbraw/zinc/84/79/77/1053847977.db2.gz LLSPOUMBOVUFHF-PKOBYXMFSA-N 0 3 342.414 4.159 20 30 EIEDHN C#CCOc1ccc(CN[C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000113322348 1053923891 /nfs/dbraw/zinc/92/38/91/1053923891.db2.gz GIRBFXCVECRKBJ-CQSZACIVSA-N 0 3 331.362 4.151 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(C)cc2C)ccc1OC ZINC000113347851 1053923945 /nfs/dbraw/zinc/92/39/45/1053923945.db2.gz KHALHJHUVMXPQQ-LJQANCHMSA-N 0 3 338.451 4.283 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2cccc(C)c2C)ccc1OC ZINC000113348242 1053925638 /nfs/dbraw/zinc/92/56/38/1053925638.db2.gz DXIQRLCRCIGDDN-LJQANCHMSA-N 0 3 338.451 4.283 20 30 EIEDHN N#Cc1cc(CN2CCCC[C@H]2CC2(O)CCCCC2)ccc1F ZINC001197692547 1053976820 /nfs/dbraw/zinc/97/68/20/1053976820.db2.gz NMPBVGFRSSGYKX-SFHVURJKSA-N 0 3 330.447 4.137 20 30 EIEDHN CC(C)(C(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CCCCO1 ZINC000870124658 1054063147 /nfs/dbraw/zinc/06/31/47/1054063147.db2.gz ZAVLBVPYDDDYEA-WFASDCNBSA-N 0 3 328.437 4.068 20 30 EIEDHN CN(C)c1ccc(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000775880618 1054199472 /nfs/dbraw/zinc/19/94/72/1054199472.db2.gz KIDXFSKLMRHPAN-UHFFFAOYSA-N 0 3 337.442 4.143 20 30 EIEDHN COc1cc(C#N)ccc1CN1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775881443 1054203936 /nfs/dbraw/zinc/20/39/36/1054203936.db2.gz FFDNNXNVRMZRGL-UHFFFAOYSA-N 0 3 349.478 4.012 20 30 EIEDHN CC(C)(C#N)c1ccccc1CN1CCO[C@@H](c2ccccc2)CC1 ZINC001198705815 1054245670 /nfs/dbraw/zinc/24/56/70/1054245670.db2.gz MFNWXCODJAPNAV-OAQYLSRUSA-N 0 3 334.463 4.451 20 30 EIEDHN C[C@H](CCc1ccco1)NCc1cc(C#N)ccc1Br ZINC001198991237 1054323961 /nfs/dbraw/zinc/32/39/61/1054323961.db2.gz NQYONCSATHOLIB-GFCCVEGCSA-N 0 3 333.229 4.025 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017338 1054400893 /nfs/dbraw/zinc/40/08/93/1054400893.db2.gz NPKYQVQOYRRTCM-IIBYNOLFSA-N 0 3 347.462 4.435 20 30 EIEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(C(F)(F)F)nc1 ZINC000872130979 1054406830 /nfs/dbraw/zinc/40/68/30/1054406830.db2.gz NWLLMYQLTVNFPX-ZBEGNZNMSA-N 0 3 331.341 4.310 20 30 EIEDHN C#CCCOc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776014458 1054439250 /nfs/dbraw/zinc/43/92/50/1054439250.db2.gz RTFXJXFOCHCEII-RHSMWYFYSA-N 0 3 325.374 4.252 20 30 EIEDHN Cc1cc(Cl)ccc1OCCCNCc1ccc(C#N)cc1F ZINC001199750522 1054461637 /nfs/dbraw/zinc/46/16/37/1054461637.db2.gz CLKPJFFXLKWJCM-UHFFFAOYSA-N 0 3 332.806 4.218 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000858320836 1054464950 /nfs/dbraw/zinc/46/49/50/1054464950.db2.gz KBCIWOUGUIGHGH-DJJJIMSYSA-N 0 3 326.827 4.408 20 30 EIEDHN C#CCCOc1ccc(CNCc2ccccc2CC(F)(F)F)cc1 ZINC000858330602 1054466106 /nfs/dbraw/zinc/46/61/06/1054466106.db2.gz YWWOHJRGUGFWKC-UHFFFAOYSA-N 0 3 347.380 4.483 20 30 EIEDHN C=CCc1cc(CNCc2ccc(F)cc2C)cc(OC)c1OC ZINC000105478054 1054525414 /nfs/dbraw/zinc/52/54/14/1054525414.db2.gz FSGRQFFBKWRWBK-UHFFFAOYSA-N 0 3 329.415 4.170 20 30 EIEDHN C[C@H](C#N)OCCN(Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000860068043 1054767746 /nfs/dbraw/zinc/76/77/46/1054767746.db2.gz JGRKCYWCXSFCNT-OAHLLOKOSA-N 0 3 339.464 4.160 20 30 EIEDHN CC(C)OCc1ccccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000776161172 1054785649 /nfs/dbraw/zinc/78/56/49/1054785649.db2.gz UVZXERSSHRXZHR-QGZVFWFLSA-N 0 3 338.451 4.365 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000776186210 1054803257 /nfs/dbraw/zinc/80/32/57/1054803257.db2.gz RXLBZBBICUJUTQ-KRWDZBQOSA-N 0 3 344.842 4.325 20 30 EIEDHN C=CCOCc1ncn2c1CN(C[C@H](C)CCC=C(C)C)CCC2 ZINC001201486022 1054815132 /nfs/dbraw/zinc/81/51/32/1054815132.db2.gz LQSDPXHSJMEWRF-GOSISDBHSA-N 0 3 331.504 4.174 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)oc2C)cc1 ZINC000131486731 1054861484 /nfs/dbraw/zinc/86/14/84/1054861484.db2.gz GGGKQLUBANZEEK-SGTLLEGYSA-N 0 3 338.407 4.371 20 30 EIEDHN C=CC[C@@H](CO)CNCc1cc(Cl)c(OC(C)C)cc1Cl ZINC001201760515 1054898105 /nfs/dbraw/zinc/89/81/05/1054898105.db2.gz GURXTZIVRWHNNU-GFCCVEGCSA-N 0 3 332.271 4.055 20 30 EIEDHN CCCCCCCCN1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001201815166 1054914780 /nfs/dbraw/zinc/91/47/80/1054914780.db2.gz YEQDQWBSMNSSPQ-PWRODBHTSA-N 0 3 346.515 4.191 20 30 EIEDHN CCCCCCCCCN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001201840098 1054931877 /nfs/dbraw/zinc/93/18/77/1054931877.db2.gz UBFGIWYCVKQYTB-FQEVSTJZSA-N 0 3 347.547 4.492 20 30 EIEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000876600955 1054935077 /nfs/dbraw/zinc/93/50/77/1054935077.db2.gz WETOAQCQLXQGBR-HOCLYGCPSA-N 0 3 348.899 4.308 20 30 EIEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1CC[C@H](C)CCC=C(C)C ZINC001201970767 1054973028 /nfs/dbraw/zinc/97/30/28/1054973028.db2.gz BHQXRQLRIUOJBX-UYAOXDASSA-N 0 3 345.531 4.295 20 30 EIEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cs1 ZINC000671751442 1054974758 /nfs/dbraw/zinc/97/47/58/1054974758.db2.gz YNOINJKTHNVKFM-NSHDSACASA-N 0 3 331.347 4.291 20 30 EIEDHN CC(C)(CF)NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC001202066143 1055007407 /nfs/dbraw/zinc/00/74/07/1055007407.db2.gz MRGKMBDEEFSOMA-LLVKDONJSA-N 0 3 347.274 4.396 20 30 EIEDHN C#CCCCCCCN[C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000877148423 1055027356 /nfs/dbraw/zinc/02/73/56/1055027356.db2.gz KFKBFYYSAQDJRQ-KRWDZBQOSA-N 0 3 326.444 4.002 20 30 EIEDHN N#Cc1cnc(Cl)c(CN[C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000877489995 1055062897 /nfs/dbraw/zinc/06/28/97/1055062897.db2.gz SLORITYAWBXSTM-YOEHRIQHSA-N 0 3 329.806 4.172 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(C)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000877951908 1055161110 /nfs/dbraw/zinc/16/11/10/1055161110.db2.gz UHDJVWKKIKVVCW-FCHUYYIVSA-N 0 3 332.447 4.046 20 30 EIEDHN C#Cc1ccc(CN[C@H]2CCc3c2ccc(F)c3Br)cc1 ZINC001202467141 1055183108 /nfs/dbraw/zinc/18/31/08/1055183108.db2.gz VFZQJTNCEBROFN-KRWDZBQOSA-N 0 3 344.227 4.347 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(C)[C@H](C)Cc1ccccc1C)c1ccccc1 ZINC000878520016 1055331841 /nfs/dbraw/zinc/33/18/41/1055331841.db2.gz FKRDUFXQSDCBMN-XXBNENTESA-N 0 3 348.490 4.299 20 30 EIEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3ccc(C)nc3)n2)cc1 ZINC000616177084 1055548389 /nfs/dbraw/zinc/54/83/89/1055548389.db2.gz JSDVEFVIHSIVBP-INIZCTEOSA-N 0 3 348.431 4.068 20 30 EIEDHN Cc1ccc2[nH]c([C@H]3CCCN(Cc4ccc(C#N)cc4F)C3)nc2c1 ZINC000130838032 1055720144 /nfs/dbraw/zinc/72/01/44/1055720144.db2.gz HRIOABOFGSIUNC-KRWDZBQOSA-N 0 3 348.425 4.262 20 30 EIEDHN Cc1ccc2nc([C@H]3CCCN(Cc4ccc(C#N)cc4F)C3)[nH]c2c1 ZINC000130838032 1055720169 /nfs/dbraw/zinc/72/01/69/1055720169.db2.gz HRIOABOFGSIUNC-KRWDZBQOSA-N 0 3 348.425 4.262 20 30 EIEDHN CN(Cc1cc(C#N)ccc1F)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273420791 1055807024 /nfs/dbraw/zinc/80/70/24/1055807024.db2.gz JTZRCEDCZJRZTI-ICSRJNTNSA-N 0 3 342.389 4.189 20 30 EIEDHN CCN(CC)[C@@H](CNc1ccc2cc(C#N)ccc2n1)c1ccco1 ZINC000301993924 1056007180 /nfs/dbraw/zinc/00/71/80/1056007180.db2.gz ZTKMORSFTPOOBG-SFHVURJKSA-N 0 3 334.423 4.194 20 30 EIEDHN N#Cc1ccc(CN(CCOc2cccc(Cl)c2)C2CC2)cc1 ZINC000554180400 1056040657 /nfs/dbraw/zinc/04/06/57/1056040657.db2.gz YXISAQRDKIZNQY-UHFFFAOYSA-N 0 3 326.827 4.255 20 30 EIEDHN C[C@@H](NCc1ccc(Br)c(F)c1)c1ccc(C#N)cc1 ZINC000091437045 1056137522 /nfs/dbraw/zinc/13/75/22/1056137522.db2.gz URNXVTPVPDNXQT-LLVKDONJSA-N 0 3 333.204 4.311 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@H]2C(C)C)c1C ZINC000303690623 1056241558 /nfs/dbraw/zinc/24/15/58/1056241558.db2.gz PODFUJHKQSIULD-IBGZPJMESA-N 0 3 341.499 4.061 20 30 EIEDHN C=CCCCN(C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000303701265 1056245755 /nfs/dbraw/zinc/24/57/55/1056245755.db2.gz BCRAHHLZBBDGCN-FQEVSTJZSA-N 0 3 343.515 4.067 20 30 EIEDHN N#Cc1ccc(NC[C@H](c2ccco2)N2CCCCC2)cc1Cl ZINC000110676804 1056682996 /nfs/dbraw/zinc/68/29/96/1056682996.db2.gz GJICWHAKNOAOPY-QGZVFWFLSA-N 0 3 329.831 4.444 20 30 EIEDHN CN(C)[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)c1cccs1 ZINC000111103851 1056746566 /nfs/dbraw/zinc/74/65/66/1056746566.db2.gz VYUGTQMHILPIKX-CQSZACIVSA-N 0 3 339.386 4.353 20 30 EIEDHN CCO[C@@H]1C[C@@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])C12CCC2 ZINC000741465632 1058224506 /nfs/dbraw/zinc/22/45/06/1058224506.db2.gz WOVATQJIPZISAL-FGCHFJFUSA-N 0 3 330.472 4.005 20 30 EIEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H](Cc2ccccc2)C1 ZINC000741791665 1058372866 /nfs/dbraw/zinc/37/28/66/1058372866.db2.gz WWIJTYJDWBGFIC-KRWDZBQOSA-N 0 3 340.854 4.307 20 30 EIEDHN Cc1ncsc1CNCc1cccc(-c2ccc(C#N)s2)c1 ZINC000742371800 1058595696 /nfs/dbraw/zinc/59/56/96/1058595696.db2.gz DNNSGPPQGRQEHJ-UHFFFAOYSA-N 0 3 325.462 4.342 20 30 EIEDHN CC[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1ccccc1 ZINC000743472645 1059022097 /nfs/dbraw/zinc/02/20/97/1059022097.db2.gz IXUZILLTKPENSD-NQIIRXRSSA-N 0 3 349.478 4.371 20 30 EIEDHN C#CCN(CC1CCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000743848457 1059151712 /nfs/dbraw/zinc/15/17/12/1059151712.db2.gz QPFZNHDNMNOVQP-MRXNPFEDSA-N 0 3 334.257 4.008 20 30 EIEDHN C=CCOC(=O)N1CCC2(CCCN(Cc3sccc3C)C2)CC1 ZINC001204019138 1060538251 /nfs/dbraw/zinc/53/82/51/1060538251.db2.gz NVBUQMBBNHPGEM-UHFFFAOYSA-N 0 3 348.512 4.057 20 30 EIEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCC2(CCCCC2)CC1 ZINC001169306685 1060764084 /nfs/dbraw/zinc/76/40/84/1060764084.db2.gz JFWUVIFZAOKPRE-QGZVFWFLSA-N 0 3 339.483 4.322 20 30 EIEDHN C=C(C)[C@@H](NC[C@@H]1Cc2cc(OC)ccc2O1)c1ccc(F)c(F)c1 ZINC001169472531 1060833429 /nfs/dbraw/zinc/83/34/29/1060833429.db2.gz HSZLYVQTAGYLST-OXJNMPFZSA-N 0 3 345.389 4.184 20 30 EIEDHN C=CCNCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010475004 518953846 /nfs/dbraw/zinc/95/38/46/518953846.db2.gz BNPDFGGQDFVKSI-UHFFFAOYSA-N 0 3 332.241 4.304 20 30 EIEDHN CC[C@H](CC#N)N[C@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000236919346 1032209833 /nfs/dbraw/zinc/20/98/33/1032209833.db2.gz KHGGDBACRYMUJO-ZACQAIPSSA-N 0 3 337.508 4.227 20 30 EIEDHN N#Cc1cccc(NC(=O)CN[C@H](c2ccccc2)C2CCCC2)c1 ZINC000533384315 1032704230 /nfs/dbraw/zinc/70/42/30/1032704230.db2.gz UKFHLHTYYJUZLC-OAQYLSRUSA-N 0 3 333.435 4.018 20 30 EIEDHN C=C(C)[C@H](NCc1cccc(OCC)c1O)c1ccc(F)c(F)c1 ZINC000187374906 1019491139 /nfs/dbraw/zinc/49/11/39/1019491139.db2.gz YBPQCIHIEDBLDP-SFHVURJKSA-N 0 3 333.378 4.476 20 30 EIEDHN N#CC(C(=O)C=Cc1cccs1)c1nc2ccccc2n1C(F)F ZINC000254975205 1019671754 /nfs/dbraw/zinc/67/17/54/1019671754.db2.gz PVEZMTFSAAJDLL-QDZRJHCZSA-N 0 3 343.358 4.383 20 30 EIEDHN N#Cc1ccc(CNCc2ccc(-n3cnc4ccccc43)cc2)s1 ZINC000176958807 1020939957 /nfs/dbraw/zinc/93/99/57/1020939957.db2.gz JWIYZZZDWOZSSZ-UHFFFAOYSA-N 0 3 344.443 4.248 20 30 EIEDHN CCCN1CCc2c(N)sc(Nc3cc(C)cc(C#N)c3)c2C1 ZINC001210389197 1021068007 /nfs/dbraw/zinc/06/80/07/1021068007.db2.gz YYSHNRXXLBKCJF-UHFFFAOYSA-N 0 3 326.469 4.022 20 30 EIEDHN C[C@H](NCC#Cc1cccc(Cl)c1)c1ccccc1-n1cccn1 ZINC000579986518 1021083124 /nfs/dbraw/zinc/08/31/24/1021083124.db2.gz XEPKSEGISZZAGF-INIZCTEOSA-N 0 3 335.838 4.228 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000275772937 1021598953 /nfs/dbraw/zinc/59/89/53/1021598953.db2.gz ZCWDLJIKLUFRFF-INIZCTEOSA-N 0 3 331.419 4.034 20 30 EIEDHN C=C(C)CCN1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC001167392302 1021975588 /nfs/dbraw/zinc/97/55/88/1021975588.db2.gz SHQKYKAXFMIHHZ-OAHLLOKOSA-N 0 3 337.305 4.094 20 30 EIEDHN FC(F)(F)c1ccc(C#CCNCc2cc3ccccc3[nH]2)cc1 ZINC000683929637 1021995659 /nfs/dbraw/zinc/99/56/59/1021995659.db2.gz UNLIQHFOHLSYST-UHFFFAOYSA-N 0 3 328.337 4.328 20 30 EIEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc2ccccc2c1 ZINC000175942721 1022002218 /nfs/dbraw/zinc/00/22/18/1022002218.db2.gz MJTBLPGRBHAUNJ-MGPUTAFESA-N 0 3 348.446 4.101 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)Nc2nc3ccccc3s2)n1 ZINC000155756919 1022079525 /nfs/dbraw/zinc/07/95/25/1022079525.db2.gz DRMDVBNHCACMOV-SNVBAGLBSA-N 0 3 342.449 4.122 20 30 EIEDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000341294310 1022368548 /nfs/dbraw/zinc/36/85/48/1022368548.db2.gz RSEUAHUJINWJBH-UGSOOPFHSA-N 0 3 341.842 4.280 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(OC3CCCC3)cc2)n1 ZINC000041515617 1022535921 /nfs/dbraw/zinc/53/59/21/1022535921.db2.gz NUCJOTPGIOIJQM-MRXNPFEDSA-N 0 3 326.421 4.263 20 30 EIEDHN C=CCOc1ccc(CN(Cc2ccc(C)nn2)C(C)(C)C)cc1 ZINC000414373645 1022799934 /nfs/dbraw/zinc/79/99/34/1022799934.db2.gz SWWPNGJFTHHEII-UHFFFAOYSA-N 0 3 325.456 4.151 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccnn2C2CCCC2)s1 ZINC000581168273 1022866255 /nfs/dbraw/zinc/86/62/55/1022866255.db2.gz IXNKCQWFEHBIDC-ZDUSSCGKSA-N 0 3 342.468 4.242 20 30 EIEDHN CN(CCOCc1ccc(C#N)cc1)CCc1c(F)cccc1Cl ZINC000584712741 1023226210 /nfs/dbraw/zinc/22/62/10/1023226210.db2.gz DZCPJUOGMYFNJR-UHFFFAOYSA-N 0 3 346.833 4.042 20 30 EIEDHN COc1ncc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1Cl ZINC000417374735 1023289304 /nfs/dbraw/zinc/28/93/04/1023289304.db2.gz YNQQURBDPLXFHN-KPZWWZAWSA-N 0 3 341.842 4.343 20 30 EIEDHN C=CCN(CC[C@H]1Sc2ccccc2NC1=O)Cc1cccs1 ZINC000659816786 1023292231 /nfs/dbraw/zinc/29/22/31/1023292231.db2.gz UFOLPDRCRZSBHN-QGZVFWFLSA-N 0 3 344.505 4.239 20 30 EIEDHN CCc1oc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)cc1C ZINC000162434826 1023360622 /nfs/dbraw/zinc/36/06/22/1023360622.db2.gz WMZGTNYGYZEDEE-INIZCTEOSA-N 0 3 346.386 4.265 20 30 EIEDHN N#CCOc1ccc(CNCc2cc(Cl)cc3cccnc32)cc1 ZINC000178374269 1023420129 /nfs/dbraw/zinc/42/01/29/1023420129.db2.gz HXUKEKABARRZDV-UHFFFAOYSA-N 0 3 337.810 4.080 20 30 EIEDHN C=CCN(CCC(=O)Nc1cccc(Cl)c1)Cc1cccs1 ZINC000644218310 1023525703 /nfs/dbraw/zinc/52/57/03/1023525703.db2.gz QVEYVUCCUYAQSE-UHFFFAOYSA-N 0 3 334.872 4.418 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc(-c2ccncc2)s1 ZINC000418138345 1023555229 /nfs/dbraw/zinc/55/52/29/1023555229.db2.gz CSIDPNDCXLTLIG-LJQANCHMSA-N 0 3 346.459 4.244 20 30 EIEDHN COc1cc(C)c(CN[C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000418145792 1023564766 /nfs/dbraw/zinc/56/47/66/1023564766.db2.gz OAANRVDGBIEXKG-IBGZPJMESA-N 0 3 336.435 4.051 20 30 EIEDHN CCC[C@@H](C)N1Cc2ccc(N=Cc3ccc(O)c(O)c3O)cc2C1 ZINC000255361913 1023598020 /nfs/dbraw/zinc/59/80/20/1023598020.db2.gz PYROESKVSWXKAD-CYBMUJFWSA-N 0 3 340.423 4.058 20 30 EIEDHN C#CCCOc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000236696761 1023731888 /nfs/dbraw/zinc/73/18/88/1023731888.db2.gz WCDNGORLLBLCFF-UHFFFAOYSA-N 0 3 329.390 4.392 20 30 EIEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)c1cccs1 ZINC000301170850 1023874547 /nfs/dbraw/zinc/87/45/47/1023874547.db2.gz JUAQQYGVVIEVAN-AWEZNQCLSA-N 0 3 339.386 4.353 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@H](c3ccnn3C)C2)cc1Cl ZINC000510675858 1024215979 /nfs/dbraw/zinc/21/59/79/1024215979.db2.gz SYDUJUQJAVGPBX-INIZCTEOSA-N 0 3 345.874 4.018 20 30 EIEDHN CC(=O)Nc1cccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341757423 1024600718 /nfs/dbraw/zinc/60/07/18/1024600718.db2.gz JCHGAGGBDAOWFH-QKKBWIMNSA-N 0 3 333.435 4.245 20 30 EIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000341761231 1024628966 /nfs/dbraw/zinc/62/89/66/1024628966.db2.gz OTDZEZFQHABGQJ-YWZLYKJASA-N 0 3 348.446 4.448 20 30 EIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000662079632 1024848999 /nfs/dbraw/zinc/84/89/99/1024848999.db2.gz LHPZYKAJOBZTKN-BMFZPTHFSA-N 0 3 327.403 4.428 20 30 EIEDHN N#Cc1ccc(CN[C@H]2CCc3c2cccc3Br)cc1 ZINC000105491817 1025387158 /nfs/dbraw/zinc/38/71/58/1025387158.db2.gz PLSZUQDACXFGSC-KRWDZBQOSA-N 0 3 327.225 4.098 20 30 EIEDHN CC(C)c1ccc2c(c1)[C@@H](NCc1cnc3ccc(C#N)cn13)CC2 ZINC000585767399 1025829489 /nfs/dbraw/zinc/82/94/89/1025829489.db2.gz LSVQOCYJWSJTOO-FQEVSTJZSA-N 0 3 330.435 4.106 20 30 EIEDHN COc1cc(CN[C@H](C)c2ccc(SC)c(OC)c2)ccc1C#N ZINC000582092274 1026133637 /nfs/dbraw/zinc/13/36/37/1026133637.db2.gz IZORXQLTWSQXSJ-CYBMUJFWSA-N 0 3 342.464 4.148 20 30 EIEDHN Cc1cc(Br)ccc1CNC1(c2cccc(C#N)c2)CC1 ZINC000551577151 1026222279 /nfs/dbraw/zinc/22/22/79/1026222279.db2.gz USNSRUFMVBXVQL-UHFFFAOYSA-N 0 3 341.252 4.408 20 30 EIEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Cl)cccc1OC(F)F ZINC000684767927 1026226600 /nfs/dbraw/zinc/22/66/00/1026226600.db2.gz VAEWXXLOPDXTLV-XHDPSFHLSA-N 0 3 331.790 4.012 20 30 EIEDHN COc1ccc2ccc(O)c(CN(CCC#N)CC(C)(C)C)c2c1 ZINC000729468651 1026394939 /nfs/dbraw/zinc/39/49/39/1026394939.db2.gz WRGOHHFUGLMBFI-UHFFFAOYSA-N 0 3 326.440 4.316 20 30 EIEDHN C[C@H](c1ccncc1)N1CCC(/N=C/c2cc(Cl)ccc2O)CC1 ZINC000158275832 1026607489 /nfs/dbraw/zinc/60/74/89/1026607489.db2.gz RFXIDEHIOIAYTK-CYGNYLSHSA-N 0 3 343.858 4.085 20 30 EIEDHN CCCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000563366097 1026692475 /nfs/dbraw/zinc/69/24/75/1026692475.db2.gz IKKWHOXSZCDYCC-OAHLLOKOSA-N 0 3 333.501 4.140 20 30 EIEDHN CC1(C)CC[C@H](NCc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000342725733 1026898901 /nfs/dbraw/zinc/89/89/01/1026898901.db2.gz IIJSFJZPCXOUFQ-IBGZPJMESA-N 0 3 330.435 4.108 20 30 EIEDHN CCCC[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(OC)cc1 ZINC000342737401 1026920306 /nfs/dbraw/zinc/92/03/06/1026920306.db2.gz ZQAQMYMDAFWQRA-FQEVSTJZSA-N 0 3 348.450 4.236 20 30 EIEDHN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCCCC1 ZINC000075645365 1027055475 /nfs/dbraw/zinc/05/54/75/1027055475.db2.gz BKVJTCULZGPSCB-UHFFFAOYSA-N 0 3 338.455 4.401 20 30 EIEDHN CN(C)[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)c1ccsc1 ZINC000520243534 1027335222 /nfs/dbraw/zinc/33/52/22/1027335222.db2.gz QYBUHQFOUKAZQU-HNNXBMFYSA-N 0 3 339.386 4.353 20 30 EIEDHN Cc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@H]2O)N2CCCC2)cc1 ZINC000329224286 1027658965 /nfs/dbraw/zinc/65/89/65/1027658965.db2.gz ZKOVWUYYIOBLSU-SLFFLAALSA-N 0 3 344.499 4.030 20 30 EIEDHN C=CCCC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000523256986 1027888546 /nfs/dbraw/zinc/88/85/46/1027888546.db2.gz DFSKCLRQSJJEJX-MRXNPFEDSA-N 0 3 342.405 4.171 20 30 EIEDHN C=CCCCCCN(C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000523557790 1028213904 /nfs/dbraw/zinc/21/39/04/1028213904.db2.gz AQAWRVMPHHPNDU-KRWDZBQOSA-N 0 3 334.529 4.262 20 30 EIEDHN COc1cc(CNC[C@H](c2ccccc2)C(F)(F)F)ccc1C#N ZINC000440621600 1028234602 /nfs/dbraw/zinc/23/46/02/1028234602.db2.gz YTUURKDIOUQBMW-MRXNPFEDSA-N 0 3 334.341 4.003 20 30 EIEDHN COc1ccc([C@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000155145788 1028358867 /nfs/dbraw/zinc/35/88/67/1028358867.db2.gz AHDQXSYVDIRTKL-IIBYNOLFSA-N 0 3 336.435 4.323 20 30 EIEDHN C=C1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000444144031 1029003659 /nfs/dbraw/zinc/00/36/59/1029003659.db2.gz RRNIBQVGSFTNJK-UHFFFAOYSA-N 0 3 336.435 4.460 20 30 EIEDHN N#Cc1ccc2c(c1)[C@H](NCc1cc(Br)cs1)CC2 ZINC000583722788 1029084212 /nfs/dbraw/zinc/08/42/12/1029084212.db2.gz NGYMFTATMRPBTN-OAHLLOKOSA-N 0 3 333.254 4.159 20 30 EIEDHN C=C(C)COc1cc(CNCc2cccc(OC)c2C)ccc1OC ZINC000657804168 1029340810 /nfs/dbraw/zinc/34/08/10/1029340810.db2.gz GKAPCWOCIRDAHT-UHFFFAOYSA-N 0 3 341.451 4.257 20 30 EIEDHN CC(C)Cc1ccc(C(=O)C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000278685952 1029689415 /nfs/dbraw/zinc/68/94/15/1029689415.db2.gz RZMXMHYLXRBNJO-WIYYLYMNSA-N 0 3 338.495 4.472 20 30 EIEDHN CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(CC#N)cc1)CCC2 ZINC000544067025 1030244677 /nfs/dbraw/zinc/24/46/77/1030244677.db2.gz MPRYHIBKPJCHIT-KRWDZBQOSA-N 0 3 325.481 4.281 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCCc1ccccc1 ZINC000892419594 1030744335 /nfs/dbraw/zinc/74/43/35/1030744335.db2.gz FBWBHECABAVDSC-QGZVFWFLSA-N 0 3 331.419 4.163 20 30 EIEDHN FCC1(CF)CC(NCc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000658015692 1030766706 /nfs/dbraw/zinc/76/67/06/1030766706.db2.gz UIKZVHVXLCTIRQ-UHFFFAOYSA-N 0 3 329.259 4.161 20 30 EIEDHN CN(C)C[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000527810204 1030856516 /nfs/dbraw/zinc/85/65/16/1030856516.db2.gz OUTPRFYTMHDBSY-GOSISDBHSA-N 0 3 348.277 4.258 20 30 EIEDHN CN(C)C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000527811421 1030856747 /nfs/dbraw/zinc/85/67/47/1030856747.db2.gz SLNBCXLYBBHNIW-GOSISDBHSA-N 0 3 348.277 4.258 20 30 EIEDHN COc1ccc(CNCc2cccc(C#N)c2)cc1OC1CCCC1 ZINC000103172739 1030857874 /nfs/dbraw/zinc/85/78/74/1030857874.db2.gz LFUNBKLHYTYWGD-UHFFFAOYSA-N 0 3 336.435 4.178 20 30 EIEDHN C[C@H](N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccc(C#N)cc1F ZINC000527942254 1030958628 /nfs/dbraw/zinc/95/86/28/1030958628.db2.gz JWMWPOIQTWUOHN-RONXPYQUSA-N 0 3 326.802 4.340 20 30 EIEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000532489217 1031221164 /nfs/dbraw/zinc/22/11/64/1031221164.db2.gz QBGARZYVFOAZSC-GJZGRUSLSA-N 0 3 347.528 4.386 20 30 EIEDHN C=CCCCN(C)CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000532571895 1031303011 /nfs/dbraw/zinc/30/30/11/1031303011.db2.gz DRWZGVJLZFMMLJ-FQEVSTJZSA-N 0 3 344.499 4.037 20 30 EIEDHN COc1cccc(CC2CCN(Cc3ccc(C#N)s3)CC2)c1 ZINC000612400877 1031484456 /nfs/dbraw/zinc/48/44/56/1031484456.db2.gz AUPWRFBFKXNADN-UHFFFAOYSA-N 0 3 326.465 4.083 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000508664947 1031811274 /nfs/dbraw/zinc/81/12/74/1031811274.db2.gz KQWMJAYVDQMUEE-APWZRJJASA-N 0 3 341.499 4.061 20 30 EIEDHN C[C@@H](N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000453274168 1031819912 /nfs/dbraw/zinc/81/99/12/1031819912.db2.gz CPMQLHRPSUCDNU-ACJLOTCBSA-N 0 3 348.368 4.351 20 30 EIEDHN C=CCOc1cccc(CN[C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000449766026 1031988768 /nfs/dbraw/zinc/98/87/68/1031988768.db2.gz MFHORAKPGUJXJI-IBGZPJMESA-N 0 3 343.492 4.306 20 30 EIEDHN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc2n[nH]cc2c1 ZINC000573675701 1033433883 /nfs/dbraw/zinc/43/38/83/1033433883.db2.gz RVWOIPUQEQSTSU-NSHDSACASA-N 0 3 344.340 4.304 20 30 EIEDHN COc1ccc(CC2CCN(Cc3ccc(C#N)s3)CC2)cc1 ZINC000512614729 1033498729 /nfs/dbraw/zinc/49/87/29/1033498729.db2.gz SFPIRPHDNPQNFR-UHFFFAOYSA-N 0 3 326.465 4.083 20 30 EIEDHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433011257 1033648534 /nfs/dbraw/zinc/64/85/34/1033648534.db2.gz NTDWJFOGMXFBJE-HOJAQTOUSA-N 0 3 341.499 4.048 20 30 EIEDHN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433011260 1033649967 /nfs/dbraw/zinc/64/99/67/1033649967.db2.gz NTDWJFOGMXFBJE-YZGWKJHDSA-N 0 3 341.499 4.048 20 30 EIEDHN C[C@@H](NC[C@@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1F ZINC000512666373 1033658739 /nfs/dbraw/zinc/65/87/39/1033658739.db2.gz KFCLFVRTQPUUEI-KDOFPFPSSA-N 0 3 343.471 4.247 20 30 EIEDHN CCN(CC)[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512673188 1033680258 /nfs/dbraw/zinc/68/02/58/1033680258.db2.gz PGLQWQDYZSGXQR-KBXCAEBGSA-N 0 3 329.419 4.024 20 30 EIEDHN Cc1ccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c(F)c1 ZINC000433025881 1033687601 /nfs/dbraw/zinc/68/76/01/1033687601.db2.gz BNOPEWCTSIRLNC-SFHVURJKSA-N 0 3 339.414 4.097 20 30 EIEDHN COC(=O)c1ccc(CN[C@H](CCCC#N)c2ccccc2)cc1F ZINC000433035075 1033713197 /nfs/dbraw/zinc/71/31/97/1033713197.db2.gz KNIGOBVPCJRRIU-LJQANCHMSA-N 0 3 340.398 4.137 20 30 EIEDHN N#Cc1cccc(OC2CCN(CCC3(C#N)CCCCC3)CC2)c1 ZINC000411243880 1033766122 /nfs/dbraw/zinc/76/61/22/1033766122.db2.gz YPSNPPRFKQZUAE-UHFFFAOYSA-N 0 3 337.467 4.266 20 30 EIEDHN C=C(C)CCN[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000419235200 1033818536 /nfs/dbraw/zinc/81/85/36/1033818536.db2.gz IZQLPHLXORFISS-FQEVSTJZSA-N 0 3 338.451 4.321 20 30 EIEDHN COc1cc([C@H](C)NCCC2(C#N)CCCCC2)cc(OC)c1OC ZINC000411451490 1033906832 /nfs/dbraw/zinc/90/68/32/1033906832.db2.gz VCNXYPKSDMAOJS-HNNXBMFYSA-N 0 3 346.471 4.227 20 30 EIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000513059017 1034381440 /nfs/dbraw/zinc/38/14/40/1034381440.db2.gz VBIINWGHYOABGF-JRGCBEDISA-N 0 3 338.426 4.138 20 30 EIEDHN N#C[C@@H]1CCC[C@H](N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280168633 1035191888 /nfs/dbraw/zinc/19/18/88/1035191888.db2.gz FTKFHXMSXAHOMM-IFUGULHKSA-N 0 3 346.780 4.064 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2cccc(Cl)c2)s1 ZINC000419827720 1035421685 /nfs/dbraw/zinc/42/16/85/1035421685.db2.gz BRAVZQNHCPZXKL-LBPRGKRZSA-N 0 3 333.844 4.340 20 30 EIEDHN N#Cc1cccc(CNCc2ccc(Cl)c(Br)c2)c1 ZINC000137073328 1035427390 /nfs/dbraw/zinc/42/73/90/1035427390.db2.gz SOYIWOLCKMRVDD-UHFFFAOYSA-N 0 3 335.632 4.264 20 30 EIEDHN COCc1csc(CNCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000594982573 1035515337 /nfs/dbraw/zinc/51/53/37/1035515337.db2.gz AHYPSJVJSCIOLX-UHFFFAOYSA-N 0 3 340.370 4.075 20 30 EIEDHN COc1ccc([C@H](C)[C@@H](C)NCC2(C#N)CCCCC2)cc1OC ZINC000595092223 1035599516 /nfs/dbraw/zinc/59/95/16/1035599516.db2.gz ZNHCJJRLQVOWLG-HZPDHXFCSA-N 0 3 330.472 4.259 20 30 EIEDHN C=CCC[C@H](O)CN1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000575131192 1035710441 /nfs/dbraw/zinc/71/04/41/1035710441.db2.gz XTBNMFFQPDAWRK-ZDUSSCGKSA-N 0 3 348.899 4.149 20 30 EIEDHN N#CC[C@@H]1CCCN(CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595613294 1035748765 /nfs/dbraw/zinc/74/87/65/1035748765.db2.gz ACFHCQPPTSGEFS-AWEZNQCLSA-N 0 3 326.362 4.100 20 30 EIEDHN N#Cc1ccc(-c2nnc(CN3CC[C@@H](C4CCCCC4)C3)o2)cc1 ZINC000595742203 1035783034 /nfs/dbraw/zinc/78/30/34/1035783034.db2.gz XPIZSVGLZDQOLE-GOSISDBHSA-N 0 3 336.439 4.010 20 30 EIEDHN N#Cc1ccc(CN2CCC3(CCc4ccccc4O3)CC2)cc1F ZINC000595828841 1035801676 /nfs/dbraw/zinc/80/16/76/1035801676.db2.gz OBXPLLCKHJRMAV-UHFFFAOYSA-N 0 3 336.410 4.057 20 30 EIEDHN CCC(CC)CN(CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000502047836 1035823859 /nfs/dbraw/zinc/82/38/59/1035823859.db2.gz FCWGUIBALCLGDR-UHFFFAOYSA-N 0 3 343.515 4.308 20 30 EIEDHN N#Cc1ccc(CNC[C@@H](Cc2ccccc2)C(F)(F)F)cc1F ZINC000421357271 1036332781 /nfs/dbraw/zinc/33/27/81/1036332781.db2.gz NBDWSRONDMXJNI-MRXNPFEDSA-N 0 3 336.332 4.208 20 30 EIEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000156813550 1036406688 /nfs/dbraw/zinc/40/66/88/1036406688.db2.gz GZKUZSDAVAKRAG-UKRRQHHQSA-N 0 3 346.477 4.137 20 30 EIEDHN CC(C)SCCN[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366983739 1036480609 /nfs/dbraw/zinc/48/06/09/1036480609.db2.gz SLDJTSPPXVXZAX-ZDUSSCGKSA-N 0 3 331.510 4.474 20 30 EIEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CCSc2c(F)cccc21 ZINC000602512132 1036485593 /nfs/dbraw/zinc/48/55/93/1036485593.db2.gz QDCRGORMAGNNJD-XJKSGUPXSA-N 0 3 334.460 4.051 20 30 EIEDHN C[C@@]1(C2CCCCC2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000603028189 1036709539 /nfs/dbraw/zinc/70/95/39/1036709539.db2.gz AWKGMTSXZRRQOX-FQEVSTJZSA-N 0 3 336.439 4.153 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000598615996 1036714775 /nfs/dbraw/zinc/71/47/75/1036714775.db2.gz IQHWXGRMOIIRGP-WBMJQRKESA-N 0 3 341.282 4.335 20 30 EIEDHN Cc1cc(C(C)(C)NCc2ccnc(C#N)c2)ccc1Br ZINC000589308716 1036741355 /nfs/dbraw/zinc/74/13/55/1036741355.db2.gz CTOKFQUXCLUONE-UHFFFAOYSA-N 0 3 344.256 4.049 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000598703385 1036751326 /nfs/dbraw/zinc/75/13/26/1036751326.db2.gz HDCQHIBUSKUYRY-OALUTQOASA-N 0 3 342.870 4.320 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000598715847 1036758066 /nfs/dbraw/zinc/75/80/66/1036758066.db2.gz UGGGPYPGGGETIT-MOPGFXCFSA-N 0 3 342.870 4.320 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000061016152 1036769056 /nfs/dbraw/zinc/76/90/56/1036769056.db2.gz REIRSDAHXRCBRE-UHFFFAOYSA-N 0 3 349.377 4.151 20 30 EIEDHN N#Cc1ccc(CN[C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)s1 ZINC000421879447 1036830603 /nfs/dbraw/zinc/83/06/03/1036830603.db2.gz NEUSZBRFIZOJPC-ACJLOTCBSA-N 0 3 330.428 4.016 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)CC2CCCCC2)c1 ZINC000603457162 1036844222 /nfs/dbraw/zinc/84/42/22/1036844222.db2.gz DPKHXPPCNWTPMB-UHFFFAOYSA-N 0 3 341.499 4.062 20 30 EIEDHN CC1(C#N)CCN(CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000272475492 1037201275 /nfs/dbraw/zinc/20/12/75/1037201275.db2.gz AKZLRQXDTSGLMG-UHFFFAOYSA-N 0 3 326.362 4.100 20 30 EIEDHN Cc1cc(CN[C@@H](C)c2ccc(Br)cc2)ccc1C#N ZINC000488117061 1037367920 /nfs/dbraw/zinc/36/79/20/1037367920.db2.gz YAJMSLYFSBZTDK-ZDUSSCGKSA-N 0 3 329.241 4.480 20 30 EIEDHN Cc1cc(CN[C@H](C)c2ccc(Br)cc2)ccc1C#N ZINC000488117060 1037369591 /nfs/dbraw/zinc/36/95/91/1037369591.db2.gz YAJMSLYFSBZTDK-CYBMUJFWSA-N 0 3 329.241 4.480 20 30 EIEDHN COc1cc2c(cc1OC)[C@@H](N[C@@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000591348926 1037391724 /nfs/dbraw/zinc/39/17/24/1037391724.db2.gz DUHIZIRUOKUAGV-UXHICEINSA-N 0 3 348.446 4.230 20 30 EIEDHN CCCCN(CC(=O)NC1(C#N)CCCCC1)[C@@H](C)c1ccccc1 ZINC000604503349 1037415488 /nfs/dbraw/zinc/41/54/88/1037415488.db2.gz DPZYBPPRFUVTAS-SFHVURJKSA-N 0 3 341.499 4.192 20 30 EIEDHN CC(C)[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000488571540 1037669965 /nfs/dbraw/zinc/66/99/65/1037669965.db2.gz GDCRHFIQUQVENF-CVEARBPZSA-N 0 3 327.415 4.177 20 30 EIEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000605738785 1037859435 /nfs/dbraw/zinc/85/94/35/1037859435.db2.gz XBEJPBIVVKTNFP-LBPRGKRZSA-N 0 3 329.271 4.069 20 30 EIEDHN N#CC(C(=O)c1cccc2c1CCC2)c1nc2cc(F)ccc2s1 ZINC000592974193 1037884448 /nfs/dbraw/zinc/88/44/48/1037884448.db2.gz OVJFYTXNZJPASY-OAHLLOKOSA-N 0 3 336.391 4.414 20 30 EIEDHN CC(C)(C#N)c1ccccc1CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000593055443 1037912195 /nfs/dbraw/zinc/91/21/95/1037912195.db2.gz UYMKGYKONKFNID-UHFFFAOYSA-N 0 3 340.364 4.354 20 30 EIEDHN N#Cc1ccc(C2(NCc3cc4c(c(Cl)c3)OCO4)CCC2)cc1 ZINC000594032694 1038239377 /nfs/dbraw/zinc/23/93/77/1038239377.db2.gz LEOZNVMKYGGQPM-UHFFFAOYSA-N 0 3 340.810 4.109 20 30 EIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C1(C)CCCC1 ZINC000489891020 1038258081 /nfs/dbraw/zinc/25/80/81/1038258081.db2.gz UVCFQBKKSXXIHV-OAHLLOKOSA-N 0 3 345.512 4.284 20 30 EIEDHN CC(C)Sc1c(Cl)cccc1NC(=O)[C@H](N)CCCCC#N ZINC000594428822 1038330307 /nfs/dbraw/zinc/33/03/07/1038330307.db2.gz NRMHHJRPKVJJMK-CYBMUJFWSA-N 0 3 339.892 4.190 20 30 EIEDHN Cc1ccc(Oc2ccccc2)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594432606 1038333771 /nfs/dbraw/zinc/33/37/71/1038333771.db2.gz DVZKBQDFLAPLDK-QGZVFWFLSA-N 0 3 337.423 4.137 20 30 EIEDHN CC(C)(C#N)c1ccc(CNCc2ccnc(N3CCCCC3)c2)cc1 ZINC000594495811 1038347148 /nfs/dbraw/zinc/34/71/48/1038347148.db2.gz SSHHXWADHDQQJI-UHFFFAOYSA-N 0 3 348.494 4.163 20 30 EIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc([S@](C)=O)cc1 ZINC000594519572 1038360947 /nfs/dbraw/zinc/36/09/47/1038360947.db2.gz WDMCLBBQDQDODM-MYYSRTQBSA-N 0 3 338.476 4.026 20 30 EIEDHN C[C@H](NCc1cnn2c1CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000594945248 1038525227 /nfs/dbraw/zinc/52/52/27/1038525227.db2.gz WWFADWNWHIGOIS-INIZCTEOSA-N 0 3 342.446 4.219 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC(F)(F)F)cc1 ZINC000173985222 1038811545 /nfs/dbraw/zinc/81/15/45/1038811545.db2.gz KFQRPVHVSUQHKG-RISCZKNCSA-N 0 3 340.345 4.190 20 30 EIEDHN COc1ccc([C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000539089106 1038831569 /nfs/dbraw/zinc/83/15/69/1038831569.db2.gz KRURMYYRBMGNHP-AWEZNQCLSA-N 0 3 333.353 4.416 20 30 EIEDHN COc1c(C)cc(C(=O)C(C#N)c2nc3ccccc3s2)cc1C ZINC000539145348 1038855336 /nfs/dbraw/zinc/85/53/36/1038855336.db2.gz ACMWLKYFWFONSC-AWEZNQCLSA-N 0 3 336.416 4.412 20 30 EIEDHN C=CCCc1ccccc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000505022665 1038892042 /nfs/dbraw/zinc/89/20/42/1038892042.db2.gz GTTUEJOVUJCXFP-UHFFFAOYSA-N 0 3 341.499 4.287 20 30 EIEDHN N#CC1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000057879180 1039014487 /nfs/dbraw/zinc/01/44/87/1039014487.db2.gz MZCJUMXTLWPALR-UHFFFAOYSA-N 0 3 349.434 4.043 20 30 EIEDHN COc1ccc(C#N)cc1CN(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000481343712 1039321737 /nfs/dbraw/zinc/32/17/37/1039321737.db2.gz RMEZFSNYXWXHKV-HXUWFJFHSA-N 0 3 349.478 4.497 20 30 EIEDHN C=C[C@@H](CC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000534605576 1039595483 /nfs/dbraw/zinc/59/54/83/1039595483.db2.gz UYFZRFWDRIKZAF-SIKLNZKXSA-N 0 3 348.490 4.300 20 30 EIEDHN Cc1cccc(NC2CCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000093607740 1039726839 /nfs/dbraw/zinc/72/68/39/1039726839.db2.gz DBGBVORPSQAPEM-GOSISDBHSA-N 0 3 349.478 4.362 20 30 EIEDHN C[C@H](NCc1ccc(F)c(Br)c1)c1ccc(C#N)cc1 ZINC000035256367 1039856433 /nfs/dbraw/zinc/85/64/33/1039856433.db2.gz ZUQNZHZSDFKNMW-NSHDSACASA-N 0 3 333.204 4.311 20 30 EIEDHN C[C@@H](NCc1ccc(F)c(Br)c1)c1ccc(C#N)cc1 ZINC000035256368 1039860224 /nfs/dbraw/zinc/86/02/24/1039860224.db2.gz ZUQNZHZSDFKNMW-LLVKDONJSA-N 0 3 333.204 4.311 20 30 EIEDHN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1CCCCC1 ZINC000514541569 1039978728 /nfs/dbraw/zinc/97/87/28/1039978728.db2.gz WAXTXGQFRINPBY-UHFFFAOYSA-N 0 3 347.890 4.099 20 30 EIEDHN CCCOc1c(CN2CCC(CCC#N)CC2)cccc1OCC ZINC000514790854 1040236484 /nfs/dbraw/zinc/23/64/84/1040236484.db2.gz UGWOICAYCXQZJB-UHFFFAOYSA-N 0 3 330.472 4.390 20 30 EIEDHN C=C[C@H](CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000535439877 1040271947 /nfs/dbraw/zinc/27/19/47/1040271947.db2.gz IXCGNLWLTCWDNB-IFMALSPDSA-N 0 3 348.490 4.079 20 30 EIEDHN CCOCc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000425366059 1040345462 /nfs/dbraw/zinc/34/54/62/1040345462.db2.gz OJOABHNMBAZFQW-INIZCTEOSA-N 0 3 338.451 4.296 20 30 EIEDHN C=CCOc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1OC ZINC000539851466 1040839564 /nfs/dbraw/zinc/83/95/64/1040839564.db2.gz WGXLUWDRFZEFAF-QFBILLFUSA-N 0 3 333.497 4.120 20 30 EIEDHN CN(CC#Cc1ccccc1)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000483577442 1040896511 /nfs/dbraw/zinc/89/65/11/1040896511.db2.gz GUTULKWEZCBZPX-UHFFFAOYSA-N 0 3 347.437 4.132 20 30 EIEDHN N#Cc1ccc(OCCNCc2ccccc2OC2CCCC2)cc1 ZINC000462763995 1040901282 /nfs/dbraw/zinc/90/12/82/1040901282.db2.gz SQEYZLHDXSQWIP-UHFFFAOYSA-N 0 3 336.435 4.048 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000436314374 1041083875 /nfs/dbraw/zinc/08/38/75/1041083875.db2.gz NDULMMWYDJRACK-QIJUGHKUSA-N 0 3 348.446 4.488 20 30 EIEDHN Cc1ccc2[nH]c([C@H]3CCCN(CC#Cc4ccccc4)C3)nc2c1 ZINC000484083269 1041112848 /nfs/dbraw/zinc/11/28/48/1041112848.db2.gz UDGUQDNNHNUGIH-IBGZPJMESA-N 0 3 329.447 4.102 20 30 EIEDHN Cc1ccc2nc([C@H]3CCCN(CC#Cc4ccccc4)C3)[nH]c2c1 ZINC000484083269 1041112863 /nfs/dbraw/zinc/11/28/63/1041112863.db2.gz UDGUQDNNHNUGIH-IBGZPJMESA-N 0 3 329.447 4.102 20 30 EIEDHN Clc1cccc(C#CCN[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000538222960 1041179543 /nfs/dbraw/zinc/17/95/43/1041179543.db2.gz FINXADSVZRBZPG-NQIIRXRSSA-N 0 3 339.866 4.449 20 30 EIEDHN Clc1ccccc1C#CCN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000538233600 1041203537 /nfs/dbraw/zinc/20/35/37/1041203537.db2.gz UVVPODYILXAUPK-LAUBAEHRSA-N 0 3 339.866 4.449 20 30 EIEDHN COCCSc1ccc([C@H](C)NCC#Cc2ccc(F)cc2)cc1 ZINC000540406361 1041435821 /nfs/dbraw/zinc/43/58/21/1041435821.db2.gz SBINVNAWANLMLT-INIZCTEOSA-N 0 3 343.467 4.267 20 30 EIEDHN CC(C)CCSCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000128914363 1041449375 /nfs/dbraw/zinc/44/93/75/1041449375.db2.gz JQYHTEVFMZINIA-CQSZACIVSA-N 0 3 345.493 4.161 20 30 EIEDHN C[C@@H](c1ccc(Cl)cc1)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000538734357 1041505966 /nfs/dbraw/zinc/50/59/66/1041505966.db2.gz STUVGKPNIODOCS-INIZCTEOSA-N 0 3 333.907 4.349 20 30 EIEDHN Cc1oc(NC(=O)CN[C@H](CC(C)C)c2cccs2)c(C#N)c1C ZINC000544451154 1041543885 /nfs/dbraw/zinc/54/38/85/1041543885.db2.gz ARRURNFMGDUEND-OAHLLOKOSA-N 0 3 345.468 4.145 20 30 EIEDHN CCOc1cc(CN2CCC(CC#N)CC2)ccc1OCC(C)C ZINC000540993953 1041763673 /nfs/dbraw/zinc/76/36/73/1041763673.db2.gz RHGAVCZYDRXYJZ-UHFFFAOYSA-N 0 3 330.472 4.246 20 30 EIEDHN CCSCC[C@@H](C)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437631582 1041862334 /nfs/dbraw/zinc/86/23/34/1041862334.db2.gz CKHRCBCZLHFSFL-GFCCVEGCSA-N 0 3 328.428 4.123 20 30 EIEDHN C=CCc1cc(CN(C)[C@@H](C)c2ccc(F)cc2)cc(OC)c1O ZINC000506260621 1042217797 /nfs/dbraw/zinc/21/77/97/1042217797.db2.gz XWUGTPKYWXHSRQ-AWEZNQCLSA-N 0 3 329.415 4.461 20 30 EIEDHN CCN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542005369 1042227446 /nfs/dbraw/zinc/22/74/46/1042227446.db2.gz IYRVAYHTXXWBKG-DLBZAZTESA-N 0 3 349.478 4.133 20 30 EIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(OC(F)(F)F)cc1)CC2 ZINC000518015453 1042313050 /nfs/dbraw/zinc/31/30/50/1042313050.db2.gz RCSHUXPZIJZLIR-KRWDZBQOSA-N 0 3 332.325 4.234 20 30 EIEDHN Cc1sc(NC(=O)CNC(C)(C)c2ccccc2C)c(C#N)c1C ZINC000549867695 1042455391 /nfs/dbraw/zinc/45/53/91/1042455391.db2.gz AOQAWRVQWHSTOP-UHFFFAOYSA-N 0 3 341.480 4.008 20 30 EIEDHN C[C@H](c1ccc(F)c(F)c1)N(C)CCOCc1ccc(C#N)cc1 ZINC000518607840 1042585694 /nfs/dbraw/zinc/58/56/94/1042585694.db2.gz QVBFGLIKLDSNOF-CQSZACIVSA-N 0 3 330.378 4.046 20 30 EIEDHN CCC1CCC(N(C)CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000426422277 1042685676 /nfs/dbraw/zinc/68/56/76/1042685676.db2.gz UPRGISMPIJYZPI-UHFFFAOYSA-N 0 3 333.501 4.076 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H]2CCC[C@@H](C)C2)c1C ZINC000519002866 1042785117 /nfs/dbraw/zinc/78/51/17/1042785117.db2.gz KHXFEQVOVYZBEU-VQIMIIECSA-N 0 3 341.499 4.061 20 30 EIEDHN Cc1c(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cnn1C ZINC000542948123 1043056954 /nfs/dbraw/zinc/05/69/54/1043056954.db2.gz PAZRYYFVFULXES-OAHLLOKOSA-N 0 3 330.435 4.118 20 30 EIEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1cccc2ccccc21 ZINC000008268996 1043079205 /nfs/dbraw/zinc/07/92/05/1043079205.db2.gz DYODOZUMNVABQC-OAHLLOKOSA-N 0 3 329.403 4.001 20 30 EIEDHN COc1ccc(Oc2cc(CN[C@@H]3CCC[C@H](C#N)C3)ccn2)cc1 ZINC000185784930 1043220357 /nfs/dbraw/zinc/22/03/57/1043220357.db2.gz ZBMFMXZCYZRAMK-DOTOQJQBSA-N 0 3 337.423 4.054 20 30 EIEDHN C[C@H](CN(C)Cn1ccc(-c2ccc(C#N)cc2)n1)c1ccccc1 ZINC000727427985 1043220803 /nfs/dbraw/zinc/22/08/03/1043220803.db2.gz KYBMAOAULWFFMD-QGZVFWFLSA-N 0 3 330.435 4.115 20 30 EIEDHN CC[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)N(CC)CC ZINC000765965034 1043282076 /nfs/dbraw/zinc/28/20/76/1043282076.db2.gz BRXCCNBQVUYFEQ-GXTWGEPZSA-N 0 3 349.887 4.246 20 30 EIEDHN CC[C@@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)N(CC)CC ZINC000765965036 1043282277 /nfs/dbraw/zinc/28/22/77/1043282277.db2.gz BRXCCNBQVUYFEQ-OCCSQVGLSA-N 0 3 349.887 4.246 20 30 EIEDHN C=C(C)CN1CCC(NC(=S)Nc2c(CC)cccc2CC)CC1 ZINC000729942575 1043411353 /nfs/dbraw/zinc/41/13/53/1043411353.db2.gz NOHXXIGMSFJMND-UHFFFAOYSA-N 0 3 345.556 4.138 20 30 EIEDHN C[C@@H](N[C@H](C)c1csc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000730018831 1043435691 /nfs/dbraw/zinc/43/56/91/1043435691.db2.gz AZZXZFRDUZUAEY-ZIAGYGMSSA-N 0 3 349.459 4.451 20 30 EIEDHN C[C@@H]1CCc2c(C(=O)C(C#N)c3nc4ccccc4n3C)csc2C1 ZINC000122641455 1043491705 /nfs/dbraw/zinc/49/17/05/1043491705.db2.gz FLDDOXRTOXTIKJ-OCCSQVGLSA-N 0 3 349.459 4.250 20 30 EIEDHN N#Cc1ccc(CN(CCc2ccncc2)Cc2cccc(F)c2)cc1 ZINC000171632766 1043634644 /nfs/dbraw/zinc/63/46/44/1043634644.db2.gz FVNOAXZLSXAJLS-UHFFFAOYSA-N 0 3 345.421 4.337 20 30 EIEDHN C=CCc1cc(CN2CCc3sccc3[C@@H]2C)c(O)c(OC)c1 ZINC000732526588 1043946880 /nfs/dbraw/zinc/94/68/80/1043946880.db2.gz IUESIIYWUMDGTD-ZDUSSCGKSA-N 0 3 329.465 4.310 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccnc3ccccc23)c1 ZINC000733800700 1044317248 /nfs/dbraw/zinc/31/72/48/1044317248.db2.gz DNVFSAQTSVEFRN-SFHVURJKSA-N 0 3 331.419 4.206 20 30 EIEDHN C=CC[C@@H](C)N[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000116907826 1044317752 /nfs/dbraw/zinc/31/77/52/1044317752.db2.gz NZDCDZITPLNMLQ-OXQOHEQNSA-N 0 3 338.451 4.319 20 30 EIEDHN C[C@H](NC[C@@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1Cl ZINC001168758354 1044366923 /nfs/dbraw/zinc/36/69/23/1044366923.db2.gz QDBGEBHMCVIUIU-MEDUHNTESA-N 0 3 335.234 4.249 20 30 EIEDHN C#CCOc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000734159426 1044506757 /nfs/dbraw/zinc/50/67/57/1044506757.db2.gz NLVAFZHSHKULHS-UHFFFAOYSA-N 0 3 343.426 4.361 20 30 EIEDHN CCN1CCN(c2ccc(N[C@@H](C)c3ccc(C#N)cc3)c(C)c2)CC1 ZINC000118443168 1044669156 /nfs/dbraw/zinc/66/91/56/1044669156.db2.gz FLIYABZMPZYTRD-SFHVURJKSA-N 0 3 348.494 4.182 20 30 EIEDHN C=CCN(CCc1ccco1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000495145132 1044719753 /nfs/dbraw/zinc/71/97/53/1044719753.db2.gz AGIRCXKSRZYADN-UHFFFAOYSA-N 0 3 325.387 4.040 20 30 EIEDHN C=C(C)COc1cc(CN2CC[C@H](c3nccs3)C2)ccc1OC ZINC000895583668 1044815382 /nfs/dbraw/zinc/81/53/82/1044815382.db2.gz NHZGUNIXJPLVPP-INIZCTEOSA-N 0 3 344.480 4.096 20 30 EIEDHN C=CCCC[C@H](NCc1cccn(C(F)F)c1=O)c1ccccc1 ZINC000895637048 1044834709 /nfs/dbraw/zinc/83/47/09/1044834709.db2.gz CZAIJJNLKNHDAI-KRWDZBQOSA-N 0 3 332.394 4.431 20 30 EIEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2c(F)cccc2F)ccc1[O-] ZINC000735614842 1044841979 /nfs/dbraw/zinc/84/19/79/1044841979.db2.gz CRUWRRQAZXSXAU-UHFFFAOYSA-N 0 3 347.409 4.348 20 30 EIEDHN CC(C)(COCc1ccccc1)NCc1ccc(C#N)cc1Cl ZINC000390051707 1044851380 /nfs/dbraw/zinc/85/13/80/1044851380.db2.gz IVLQVBIQUBVVLU-UHFFFAOYSA-N 0 3 328.843 4.297 20 30 EIEDHN Cc1ccc(CN2CCSCC2)cc1NCc1cc(C#N)cs1 ZINC000125433272 1044998413 /nfs/dbraw/zinc/99/84/13/1044998413.db2.gz CJNAVYDVZYTGDX-UHFFFAOYSA-N 0 3 343.521 4.089 20 30 EIEDHN N#CC(C(=O)CCc1cc(Cl)cs1)c1nc2ccccc2[nH]1 ZINC000737319632 1045000436 /nfs/dbraw/zinc/00/04/36/1045000436.db2.gz ZEAUYBXQULZTHY-LBPRGKRZSA-N 0 3 329.812 4.087 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(F)F)c2Cl)CC1 ZINC000543654197 1045067767 /nfs/dbraw/zinc/06/77/67/1045067767.db2.gz ZUNUXWQHCRBBGG-UHFFFAOYSA-N 0 3 343.805 4.050 20 30 EIEDHN COc1ccc(CNC(C)(C)c2ccccc2)cc1OCCCC#N ZINC000065275064 1045119922 /nfs/dbraw/zinc/11/99/22/1045119922.db2.gz YOPBCPNMVNMVLV-UHFFFAOYSA-N 0 3 338.451 4.403 20 30 EIEDHN N#Cc1ccc(OCCCN2CCc3c(Cl)cccc3C2)cc1 ZINC000739913510 1045173781 /nfs/dbraw/zinc/17/37/81/1045173781.db2.gz JJZOBBLVYVEPLR-UHFFFAOYSA-N 0 3 326.827 4.039 20 30 EIEDHN C=CC[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccncc1 ZINC000766020548 1045224406 /nfs/dbraw/zinc/22/44/06/1045224406.db2.gz QIHYSZUYMSTCGP-DNVCBOLYSA-N 0 3 337.423 4.006 20 30 EIEDHN CC(C)(CCC#N)CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000611264020 1045268412 /nfs/dbraw/zinc/26/84/12/1045268412.db2.gz XZVGSHQLMYVXTN-GHMZBOCLSA-N 0 3 330.316 4.379 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000611391996 1045296335 /nfs/dbraw/zinc/29/63/35/1045296335.db2.gz DNXWWMAHXDVDKI-FDFHNCONSA-N 0 3 332.447 4.446 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(N2CCCCC2)nc1 ZINC000611390694 1045296852 /nfs/dbraw/zinc/29/68/52/1045296852.db2.gz PPHPHFDBUOWAOX-NRFANRHFSA-N 0 3 346.478 4.111 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccnc(N2CCCCC2)c1 ZINC000611391144 1045302875 /nfs/dbraw/zinc/30/28/75/1045302875.db2.gz VTWACXSNCXKHDM-NRFANRHFSA-N 0 3 346.478 4.111 20 30 EIEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(OC(F)F)cc1 ZINC000272317644 1045412344 /nfs/dbraw/zinc/41/23/44/1045412344.db2.gz VDJNDNFALGGLGC-CYBMUJFWSA-N 0 3 328.362 4.500 20 30 EIEDHN CCN(CC)c1ccc(CNCc2ccc(C#N)c(C)c2)cc1F ZINC000767692743 1045597389 /nfs/dbraw/zinc/59/73/89/1045597389.db2.gz ZFLRHEBNLATCGI-UHFFFAOYSA-N 0 3 325.431 4.142 20 30 EIEDHN N#CC(C(=O)CCCC(F)(F)F)c1nc2c(cccc2Cl)[nH]1 ZINC001123347952 1045727021 /nfs/dbraw/zinc/72/70/21/1045727021.db2.gz XLTZFMWAYGVMPH-QMMMGPOBSA-N 0 3 329.709 4.125 20 30 EIEDHN Cn1cccc1C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000072591349 1045791906 /nfs/dbraw/zinc/79/19/06/1045791906.db2.gz KPZGDIDSPGJIPD-ZDUSSCGKSA-N 0 3 341.823 4.292 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\CC1CC[NH+](Cc2cccs2)CC1 ZINC000747033306 1045801967 /nfs/dbraw/zinc/80/19/67/1045801967.db2.gz OXYAOYLWXSXEPH-NDENLUEZSA-N 0 3 348.899 4.438 20 30 EIEDHN c1csc(-c2nn(-c3ccccc3)cc2CN=Nc2ccccn2)c1 ZINC000916276036 1045980621 /nfs/dbraw/zinc/98/06/21/1045980621.db2.gz HSSYNWVNJGAZFR-UHFFFAOYSA-N 0 3 345.431 4.442 20 30 EIEDHN N#CC1(c2ccccc2)CCC(N2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001170379065 1046033568 /nfs/dbraw/zinc/03/35/68/1046033568.db2.gz OXYJMSXKAOJPEO-LXPRWKDFSA-N 0 3 336.401 4.460 20 30 EIEDHN C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000792996094 1046122404 /nfs/dbraw/zinc/12/24/04/1046122404.db2.gz OZCLMMSAKXCSQB-ZDUSSCGKSA-N 0 3 347.384 4.494 20 30 EIEDHN N#Cc1ccc([C@@H](O)CN2CCCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000770000270 1046125872 /nfs/dbraw/zinc/12/58/72/1046125872.db2.gz AVVCPUISESOAML-UXHICEINSA-N 0 3 340.854 4.472 20 30 EIEDHN Cc1cc2c(cc1C)[C@H](C(=O)C(C#N)c1nc3ccccc3s1)CO2 ZINC000770841345 1046280091 /nfs/dbraw/zinc/28/00/91/1046280091.db2.gz DNUGEMROJXYIJZ-HUUCEWRRSA-N 0 3 348.427 4.266 20 30 EIEDHN Cc1cc2c(cc1C)[C@H](C(=O)C(C#N)c1nc3ccccc3s1)CO2 ZINC000770841348 1046280178 /nfs/dbraw/zinc/28/01/78/1046280178.db2.gz DNUGEMROJXYIJZ-LSDHHAIUSA-N 0 3 348.427 4.266 20 30 EIEDHN N#CC(C(=O)CCCc1cccs1)C(=O)Nc1ccccc1Cl ZINC000916905012 1046450993 /nfs/dbraw/zinc/45/09/93/1046450993.db2.gz HRARRXDJDNKGOU-CYBMUJFWSA-N 0 3 346.839 4.072 20 30 EIEDHN COc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc(OC)c1C ZINC000080456558 1046618245 /nfs/dbraw/zinc/61/82/45/1046618245.db2.gz YHUALHYEZHLAOF-CYBMUJFWSA-N 0 3 344.436 4.082 20 30 EIEDHN CCc1ccc(C2=CCN(Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000772357983 1046618709 /nfs/dbraw/zinc/61/87/09/1046618709.db2.gz VBJHXBVRSHIYLR-UHFFFAOYSA-N 0 3 332.447 4.441 20 30 EIEDHN C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)c2ccccc21 ZINC000917116405 1046740037 /nfs/dbraw/zinc/74/00/37/1046740037.db2.gz PADPXANEDCDLHQ-ZFWWWQNUSA-N 0 3 347.443 4.096 20 30 EIEDHN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000497384290 1046767643 /nfs/dbraw/zinc/76/76/43/1046767643.db2.gz GXWZHVZNZOHFNR-FQEVSTJZSA-N 0 3 341.499 4.000 20 30 EIEDHN Cc1ccc(C)c(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000917407339 1046875081 /nfs/dbraw/zinc/87/50/81/1046875081.db2.gz XUNILDCRKDEFPZ-HNNXBMFYSA-N 0 3 349.459 4.226 20 30 EIEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000537030090 1046906667 /nfs/dbraw/zinc/90/66/67/1046906667.db2.gz YYLZBWOSCMDZRF-WMLDXEAASA-N 0 3 347.890 4.112 20 30 EIEDHN C=CCN1CCC(N[C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497871121 1047145858 /nfs/dbraw/zinc/14/58/58/1047145858.db2.gz ZETRLFDBPZHZMR-QFIPXVFZSA-N 0 3 347.462 4.157 20 30 EIEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(-n2cccn2)cc1 ZINC000537406919 1047200089 /nfs/dbraw/zinc/20/00/89/1047200089.db2.gz KTSPUIJNZBTUFA-HUUCEWRRSA-N 0 3 334.398 4.295 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 ZINC000788648101 1047247813 /nfs/dbraw/zinc/24/78/13/1047247813.db2.gz XGMPHPZODJJALO-RXVVDRJESA-N 0 3 336.435 4.240 20 30 EIEDHN N#Cc1ccc(CNCc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000917996110 1047266326 /nfs/dbraw/zinc/26/63/26/1047266326.db2.gz KRLXCCWUOXAJEZ-UHFFFAOYSA-N 0 3 344.443 4.224 20 30 EIEDHN N#Cc1ccc(CNc2ccnc3ccc(C(F)(F)F)cc32)cc1F ZINC001170095309 1047344637 /nfs/dbraw/zinc/34/46/37/1047344637.db2.gz BZANYACWQTVACA-UHFFFAOYSA-N 0 3 345.299 4.298 20 30 EIEDHN N#Cc1cccc(CN(Cc2cccc(Br)c2)C2CC2)c1 ZINC000026446517 1047396633 /nfs/dbraw/zinc/39/66/33/1047396633.db2.gz DIEGVEGUCYZOFG-UHFFFAOYSA-N 0 3 341.252 4.485 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CSCC)cc2)CC1 ZINC000455867609 1047536287 /nfs/dbraw/zinc/53/62/87/1047536287.db2.gz UYUXFWCOOZNPAG-UHFFFAOYSA-N 0 3 347.528 4.102 20 30 EIEDHN CN(Cc1cc(Br)ccc1F)CC(C)(C)CCC#N ZINC000130391138 1047705626 /nfs/dbraw/zinc/70/56/26/1047705626.db2.gz XCARTXSLNXYZQV-UHFFFAOYSA-N 0 3 327.241 4.350 20 30 EIEDHN N#Cc1ccc2ncc(CN[C@H](CC3CCC3)c3ccccc3)n2c1 ZINC000556601600 1047838892 /nfs/dbraw/zinc/83/88/92/1047838892.db2.gz PTRFIKRTEUNJTI-HXUWFJFHSA-N 0 3 330.435 4.227 20 30 EIEDHN C[C@H]1CCCCN1c1cccc(N[C@@H]2CCc3c2cccc3C#N)n1 ZINC001171064719 1047920890 /nfs/dbraw/zinc/92/08/90/1047920890.db2.gz LSNXISGIYSDUFV-HNAYVOBHSA-N 0 3 332.451 4.431 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CC(c3ccc(Cl)cc3)C2)cc1 ZINC000824988168 1048016454 /nfs/dbraw/zinc/01/64/54/1048016454.db2.gz HSPFOCPUHNUTTQ-AWEZNQCLSA-N 0 3 326.827 4.230 20 30 EIEDHN CC(C)(C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000805926236 1048286344 /nfs/dbraw/zinc/28/63/44/1048286344.db2.gz MOXZLWIENACYMX-INIZCTEOSA-N 0 3 348.874 4.272 20 30 EIEDHN C=CCN(CCc1ccccc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000195228413 1048394840 /nfs/dbraw/zinc/39/48/40/1048394840.db2.gz LVFZDKIUASPCPK-UHFFFAOYSA-N 0 3 337.467 4.011 20 30 EIEDHN COc1ccc(CN(Cc2cnc3ccc(C#N)cn23)C(C)(C)C)cc1 ZINC000809792418 1048536487 /nfs/dbraw/zinc/53/64/87/1048536487.db2.gz VCAULOWSRVFTCL-UHFFFAOYSA-N 0 3 348.450 4.015 20 30 EIEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)C(C)(F)F ZINC000815922667 1048635194 /nfs/dbraw/zinc/63/51/94/1048635194.db2.gz WSPHUWHAZBLYER-MFKMUULPSA-N 0 3 345.374 4.149 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2=O)cc1)c1cccc(C#N)c1 ZINC000810128838 1048638700 /nfs/dbraw/zinc/63/87/00/1048638700.db2.gz KDNLHFDEOXYZFH-DLBZAZTESA-N 0 3 347.462 4.487 20 30 EIEDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171184639 1048676601 /nfs/dbraw/zinc/67/66/01/1048676601.db2.gz ONWGLKQDWVHYMS-UHFFFAOYSA-N 0 3 349.390 4.416 20 30 EIEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Br)nc1 ZINC000810237819 1048718659 /nfs/dbraw/zinc/71/86/59/1048718659.db2.gz KIMIDOKKHWHYAS-BZNIZROVSA-N 0 3 342.240 4.054 20 30 EIEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Br)nc1 ZINC000810237818 1048720444 /nfs/dbraw/zinc/72/04/44/1048720444.db2.gz KIMIDOKKHWHYAS-BDJLRTHQSA-N 0 3 342.240 4.054 20 30 EIEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Br)nc1 ZINC000810237820 1048720476 /nfs/dbraw/zinc/72/04/76/1048720476.db2.gz KIMIDOKKHWHYAS-MEDUHNTESA-N 0 3 342.240 4.054 20 30 EIEDHN COc1cc(CN[C@H](C)c2cc(C)c(OC)c(Cl)c2)ccc1C#N ZINC000810251437 1048729756 /nfs/dbraw/zinc/72/97/56/1048729756.db2.gz SCIOVZQSFASDDO-CYBMUJFWSA-N 0 3 344.842 4.388 20 30 EIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC001135483774 1048745045 /nfs/dbraw/zinc/74/50/45/1048745045.db2.gz LVGYTEBJEVBDOV-IHRRRGAJSA-N 0 3 340.920 4.177 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@@H](c1ncccc1Cl)C1CC1 ZINC001171201104 1048752590 /nfs/dbraw/zinc/75/25/90/1048752590.db2.gz HWVUKGUROLNTMF-SCLBCKFNSA-N 0 3 325.843 4.279 20 30 EIEDHN Cc1cc2cc(CN(C)C[C@@H](O)c3cccc(C#N)c3)oc2cc1C ZINC000846005583 1048787352 /nfs/dbraw/zinc/78/73/52/1048787352.db2.gz ADERVUGONSOXRH-HXUWFJFHSA-N 0 3 334.419 4.087 20 30 EIEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCOc3c(CC)cccc32)cc1 ZINC000772960045 1048998101 /nfs/dbraw/zinc/99/81/01/1048998101.db2.gz QFZVJKHFLDTZJX-IERDGZPVSA-N 0 3 335.447 4.435 20 30 EIEDHN N#CCCN(C1CCCC1)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170879735 1049046997 /nfs/dbraw/zinc/04/69/97/1049046997.db2.gz RGGCIILTYZGPJG-SFHVURJKSA-N 0 3 347.300 4.465 20 30 EIEDHN Cc1ccc([C@H](CNc2ccc(C#N)c(Cl)c2)N2CCCC2)o1 ZINC000609507627 1049121403 /nfs/dbraw/zinc/12/14/03/1049121403.db2.gz SWUZRQFFHVRAJB-KRWDZBQOSA-N 0 3 329.831 4.362 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCc3ccc(OC)cc32)c1 ZINC000772981776 1049167496 /nfs/dbraw/zinc/16/74/96/1049167496.db2.gz AYJGNIDTHFEWLA-UWJYYQICSA-N 0 3 336.435 4.153 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc3c(c2)COC3)c1 ZINC000772984820 1049266112 /nfs/dbraw/zinc/26/61/12/1049266112.db2.gz QHCHOXGWVHPKQP-YWZLYKJASA-N 0 3 336.435 4.249 20 30 EIEDHN C[C@H]1SCCN(CCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000609829488 1049348525 /nfs/dbraw/zinc/34/85/25/1049348525.db2.gz XPHRXLKLMOZRFP-UZLBHIALSA-N 0 3 338.476 4.116 20 30 EIEDHN C[C@H](NN=C1CCN(C2CC2)[C@H](c2ccccc2)C1)c1ccncc1 ZINC000819818479 1049375641 /nfs/dbraw/zinc/37/56/41/1049375641.db2.gz MQOFMYBKSABSNY-KKSFZXQISA-N 0 3 334.467 4.088 20 30 EIEDHN C=C(C)CN(CC[C@H]1CC1(Cl)Cl)Cc1cnn(C(C)C)c1 ZINC000823121159 1049826017 /nfs/dbraw/zinc/82/60/17/1049826017.db2.gz GSWVKGTZTSSMND-HNNXBMFYSA-N 0 3 330.303 4.426 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001172310005 1049874953 /nfs/dbraw/zinc/87/49/53/1049874953.db2.gz ZFOAQLDOJNJPBH-WZONZLPQSA-N 0 3 341.458 4.396 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1ccsc1Br ZINC001172299142 1049882783 /nfs/dbraw/zinc/88/27/83/1049882783.db2.gz FVVOAEXYGZWZDW-NSHDSACASA-N 0 3 335.270 4.103 20 30 EIEDHN CCCCCCC[C@@H](CC)N1CCc2onc(Cn3cccn3)c2C1 ZINC001172354845 1049893271 /nfs/dbraw/zinc/89/32/71/1049893271.db2.gz KWHWVLOTXGOSBX-QGZVFWFLSA-N 0 3 344.503 4.417 20 30 EIEDHN CC[C@H](C)OCC[C@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172362755 1049896495 /nfs/dbraw/zinc/89/64/95/1049896495.db2.gz XFNLBJZANDLYAD-IRXDYDNUSA-N 0 3 332.463 4.277 20 30 EIEDHN N#Cc1ccc(N2CCN([C@H]3CC[C@@H](c4ccccc4)C3)CC2)c(F)c1 ZINC001172567228 1049937031 /nfs/dbraw/zinc/93/70/31/1049937031.db2.gz BZBRPQFXUYNPBF-UXHICEINSA-N 0 3 349.453 4.156 20 30 EIEDHN N#CCSCCCN1CCC[C@H]1c1ccc(Br)cc1 ZINC000080632727 1050113254 /nfs/dbraw/zinc/11/32/54/1050113254.db2.gz RJMWLNLHVMDTLQ-HNNXBMFYSA-N 0 3 339.302 4.233 20 30 EIEDHN C[C@H](Cc1c(F)cccc1Cl)NC(=N)c1ccc2ccccc2n1 ZINC001172852104 1050191013 /nfs/dbraw/zinc/19/10/13/1050191013.db2.gz OOQDCDOLYBGPRX-GFCCVEGCSA-N 0 3 341.817 4.364 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc(Br)c1 ZINC001177651450 1050278998 /nfs/dbraw/zinc/27/89/98/1050278998.db2.gz XMYBTDONNQXAKV-UHFFFAOYSA-N 0 3 329.241 4.227 20 30 EIEDHN C=C[C@@H](N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC001173185971 1050338492 /nfs/dbraw/zinc/33/84/92/1050338492.db2.gz QHDUJLYIAURHDI-XJKSGUPXSA-N 0 3 344.386 4.190 20 30 EIEDHN CSCCCCCCNCc1cc(C#N)ccc1Br ZINC001178469176 1050476489 /nfs/dbraw/zinc/47/64/89/1050476489.db2.gz LNEIMDYVMYPPRE-UHFFFAOYSA-N 0 3 341.318 4.334 20 30 EIEDHN C=CCN1CCN([C@@H](C)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC001173554589 1050482179 /nfs/dbraw/zinc/48/21/79/1050482179.db2.gz OZOFASMRZSMPFN-AWEZNQCLSA-N 0 3 327.299 4.118 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cc(Br)cs1 ZINC000618742621 1050500968 /nfs/dbraw/zinc/50/09/68/1050500968.db2.gz NAFFNDVXXWGNKV-OAHLLOKOSA-N 0 3 333.254 4.159 20 30 EIEDHN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC(C)(C#N)CC1 ZINC001173601671 1050501425 /nfs/dbraw/zinc/50/14/25/1050501425.db2.gz ZCEODCDQLXRIQT-OHTSDLOESA-N 0 3 349.519 4.180 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618805304 1050534171 /nfs/dbraw/zinc/53/41/71/1050534171.db2.gz GAIPHZGJGTXYMP-UXHICEINSA-N 0 3 333.391 4.121 20 30 EIEDHN CCCN(CCC#N)C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173789467 1050571978 /nfs/dbraw/zinc/57/19/78/1050571978.db2.gz JENDLTDTPCLVCS-UHFFFAOYSA-N 0 3 328.456 4.264 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1c[nH]nc1-c1ccc(F)cc1 ZINC001178971437 1050601904 /nfs/dbraw/zinc/60/19/04/1050601904.db2.gz GKDYKDXUAQIQJN-FQEVSTJZSA-N 0 3 346.409 4.255 20 30 EIEDHN COc1ccc(O)c([C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000182393688 1050639762 /nfs/dbraw/zinc/63/97/62/1050639762.db2.gz CHFNYSPNQJBRIO-ZDUSSCGKSA-N 0 3 349.352 4.122 20 30 EIEDHN CN1Cc2ccccc2[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508617 1050796336 /nfs/dbraw/zinc/79/63/36/1050796336.db2.gz PGPWIOOSJWHAQR-VXKWHMMOSA-N 0 3 331.463 4.102 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CSCCc3ccccc32)cc1Cl ZINC000619755118 1050884674 /nfs/dbraw/zinc/88/46/74/1050884674.db2.gz UGNLATUWFUQZIO-GOSISDBHSA-N 0 3 328.868 4.332 20 30 EIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001190458211 1051191587 /nfs/dbraw/zinc/19/15/87/1051191587.db2.gz YWIZUAVYHPJFDV-LJQANCHMSA-N 0 3 349.833 4.209 20 30 EIEDHN C#CCN(CCCC=C)[C@@H]1CCOc2ccc(Br)cc21 ZINC001191038392 1051332638 /nfs/dbraw/zinc/33/26/38/1051332638.db2.gz JLRNVCNYRFACPY-MRXNPFEDSA-N 0 3 334.257 4.174 20 30 EIEDHN CC(C)[C@H](O)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001191634913 1051495840 /nfs/dbraw/zinc/49/58/40/1051495840.db2.gz CORZGLPPGKNWLW-OAQYLSRUSA-N 0 3 340.442 4.107 20 30 EIEDHN N#Cc1cc(F)ccc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC001175452476 1051623434 /nfs/dbraw/zinc/62/34/34/1051623434.db2.gz FAQGQVIBPNRVLZ-UHFFFAOYSA-N 0 3 345.421 4.173 20 30 EIEDHN N#Cc1nc2ccc(NC3=CCN(Cc4ccccc4)CC3)cc2s1 ZINC001175506330 1051640937 /nfs/dbraw/zinc/64/09/37/1051640937.db2.gz VFPMOEQSUPMKTQ-UHFFFAOYSA-N 0 3 346.459 4.370 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC001192444582 1051734892 /nfs/dbraw/zinc/73/48/92/1051734892.db2.gz XKKXIQICXGWFCC-KRWDZBQOSA-N 0 3 340.854 4.482 20 30 EIEDHN C=CCC[C@H](NC/C=C\C(=O)OCC)c1ccc(C(F)(F)F)cc1 ZINC001192635733 1051785036 /nfs/dbraw/zinc/78/50/36/1051785036.db2.gz QLZGBVSMWKNISR-IOBAAEILSA-N 0 3 341.373 4.422 20 30 EIEDHN Clc1cccc(C#CCN2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC001193012306 1051853239 /nfs/dbraw/zinc/85/32/39/1051853239.db2.gz PKGDIDYKAVPLNB-LJQANCHMSA-N 0 3 349.865 4.206 20 30 EIEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000184376761 1051931241 /nfs/dbraw/zinc/93/12/41/1051931241.db2.gz KYRCHALDDHZYEA-CYBMUJFWSA-N 0 3 335.432 4.062 20 30 EIEDHN N#Cc1cncc(CN2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001194262522 1052119577 /nfs/dbraw/zinc/11/95/77/1052119577.db2.gz OPYHEJCCYMAVFE-QGZVFWFLSA-N 0 3 345.368 4.352 20 30 EIEDHN CC(C)(C)[C@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000072605865 1052497286 /nfs/dbraw/zinc/49/72/86/1052497286.db2.gz WRVLDFFKJOZINI-DLBZAZTESA-N 0 3 338.455 4.303 20 30 EIEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1COc2ccccc21 ZINC000185564092 1053018720 /nfs/dbraw/zinc/01/87/20/1053018720.db2.gz PGFKISBUNJNSGB-KBXCAEBGSA-N 0 3 345.364 4.211 20 30 EIEDHN COc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1Cl ZINC000850193250 1053083987 /nfs/dbraw/zinc/08/39/87/1053083987.db2.gz BISCPNOFOZNZNF-UHFFFAOYSA-N 0 3 326.827 4.194 20 30 EIEDHN C#CCOc1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000776499359 1053384622 /nfs/dbraw/zinc/38/46/22/1053384622.db2.gz UTXDDZGRQKNQDQ-IBGZPJMESA-N 0 3 341.838 4.356 20 30 EIEDHN CCCCN(CCCC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000867631012 1053841747 /nfs/dbraw/zinc/84/17/47/1053841747.db2.gz MYEXAHUYGHPJIJ-HNNXBMFYSA-N 0 3 343.496 4.375 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000113960771 1054034620 /nfs/dbraw/zinc/03/46/20/1054034620.db2.gz OPMRDVGBMYNLOJ-MRXNPFEDSA-N 0 3 346.377 4.259 20 30 EIEDHN C#CCN1CCC(C(=O)Nc2ccccc2-c2ccc(C)s2)CC1 ZINC000869833577 1054038623 /nfs/dbraw/zinc/03/86/23/1054038623.db2.gz SMCAEJUFOMZSPX-UHFFFAOYSA-N 0 3 338.476 4.007 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C)(C)c1ccc(F)cc1 ZINC000870115066 1054064102 /nfs/dbraw/zinc/06/41/02/1054064102.db2.gz ACTBMWIUGPDCQL-MRXNPFEDSA-N 0 3 349.409 4.257 20 30 EIEDHN C#CCN(Cc1cc2ccccc2[nH]c1=O)[C@@H]1CCCc2ccccc21 ZINC001198103613 1054078111 /nfs/dbraw/zinc/07/81/11/1054078111.db2.gz IXEUEBHYVIAIRX-JOCHJYFZSA-N 0 3 342.442 4.453 20 30 EIEDHN CC(C)(C)OC(=O)Nc1cc(F)cc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000872125332 1054404519 /nfs/dbraw/zinc/40/45/19/1054404519.db2.gz ZALAGEJASFNWTQ-CZUORRHYSA-N 0 3 347.434 4.345 20 30 EIEDHN CN(CCC#N)c1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000858236957 1054443272 /nfs/dbraw/zinc/44/32/72/1054443272.db2.gz FBMDCRWNZNPHFK-NRFANRHFSA-N 0 3 334.467 4.062 20 30 EIEDHN C=CCc1cc(CNCc2cccc(OCC)c2)cc(OC)c1OC ZINC000105478084 1054524396 /nfs/dbraw/zinc/52/43/96/1054524396.db2.gz TWCHYROUOXYJFR-UHFFFAOYSA-N 0 3 341.451 4.121 20 30 EIEDHN Cc1ccc(CN[C@H](C)c2ccc(N3CCCCC3=O)cc2)cc1C#N ZINC000859309388 1054660897 /nfs/dbraw/zinc/66/08/97/1054660897.db2.gz NEXZCGYKXSDNFB-QGZVFWFLSA-N 0 3 347.462 4.234 20 30 EIEDHN COc1cccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1C#N ZINC001201477883 1054830584 /nfs/dbraw/zinc/83/05/84/1054830584.db2.gz OMULQACTHZUHNR-MOPGFXCFSA-N 0 3 345.446 4.300 20 30 EIEDHN CNc1ccc(C#N)cc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201478168 1054830785 /nfs/dbraw/zinc/83/07/85/1054830785.db2.gz ZDPQDCKLAYXKSK-UXHICEINSA-N 0 3 344.462 4.333 20 30 EIEDHN CCCCCCCN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001201776303 1054914441 /nfs/dbraw/zinc/91/44/41/1054914441.db2.gz ATEPSSCIAJSGEG-UHFFFAOYSA-N 0 3 338.499 4.269 20 30 EIEDHN CCCCCCCCN1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001201815194 1054915641 /nfs/dbraw/zinc/91/56/41/1054915641.db2.gz YRTYGQSEQJHWFY-SFHVURJKSA-N 0 3 334.552 4.460 20 30 EIEDHN CCCCCCCCN1CCCn2cnc(Cn3cccc3)c2C1 ZINC001201826294 1054924840 /nfs/dbraw/zinc/92/48/40/1054924840.db2.gz QZERQJHMTFLZIP-UHFFFAOYSA-N 0 3 328.504 4.299 20 30 EIEDHN N#Cc1cnc(Cl)c(CN[C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000877491504 1055064235 /nfs/dbraw/zinc/06/42/35/1055064235.db2.gz KWXWSZLSIRUCOU-PBHICJAKSA-N 0 3 329.806 4.172 20 30 EIEDHN C#C[C@H](N[C@@H](C)CC[P@](C)(=O)OCC)c1ccc(Cl)cc1 ZINC000877542407 1055075169 /nfs/dbraw/zinc/07/51/69/1055075169.db2.gz YGVVIBZCKRQICS-UYTHQXMGSA-N 0 3 327.792 4.327 20 30 EIEDHN C#C[C@H](N[C@H](C)CC[P@@](C)(=O)OCC)c1ccc(Cl)cc1 ZINC000877542406 1055076847 /nfs/dbraw/zinc/07/68/47/1055076847.db2.gz YGVVIBZCKRQICS-QTPGKHNVSA-N 0 3 327.792 4.327 20 30 EIEDHN C=C(C)COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1OC ZINC000877757025 1055114661 /nfs/dbraw/zinc/11/46/61/1055114661.db2.gz AAIFKRYSISCFLL-HNNXBMFYSA-N 0 3 327.424 4.207 20 30 EIEDHN C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000877755895 1055115054 /nfs/dbraw/zinc/11/50/54/1055115054.db2.gz RVJPBFNCCVUDHQ-CYBMUJFWSA-N 0 3 347.842 4.470 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(C)[C@@H](C)Cc1ccc(C)cc1)c1ccccc1 ZINC000878120787 1055191946 /nfs/dbraw/zinc/19/19/46/1055191946.db2.gz PGLSVHYKFCWZOH-WMZHIEFXSA-N 0 3 348.490 4.299 20 30 EIEDHN CN(Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000127143846 1055321922 /nfs/dbraw/zinc/32/19/22/1055321922.db2.gz NKKHJHPAMRYSSS-QGZVFWFLSA-N 0 3 335.234 4.030 20 30 EIEDHN Cc1cc(C#N)ccc1CNC1(c2ccc(Br)cc2)CC1 ZINC000186320299 1055350659 /nfs/dbraw/zinc/35/06/59/1055350659.db2.gz OYEZINKBWJMEBX-UHFFFAOYSA-N 0 3 341.252 4.408 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000302135768 1056022341 /nfs/dbraw/zinc/02/23/41/1056022341.db2.gz ZYYSKDHKJXYLRW-IIBYNOLFSA-N 0 3 347.462 4.083 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2C(C)C)c1C ZINC000303690624 1056240812 /nfs/dbraw/zinc/24/08/12/1056240812.db2.gz PODFUJHKQSIULD-LJQANCHMSA-N 0 3 341.499 4.061 20 30 EIEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C#N ZINC000060969429 1056554565 /nfs/dbraw/zinc/55/45/65/1056554565.db2.gz BTUDMRHTBBLHBL-HOTGVXAUSA-N 0 3 347.462 4.115 20 30 EIEDHN C[C@@H](NCc1csc(C#N)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000921807367 1056610463 /nfs/dbraw/zinc/61/04/63/1056610463.db2.gz PDOXHCMCXUFXKF-PSLIRLAXSA-N 0 3 341.263 4.138 20 30 EIEDHN C[C@H](NCc1csc(C#N)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000921807369 1056611891 /nfs/dbraw/zinc/61/18/91/1056611891.db2.gz PDOXHCMCXUFXKF-VFZGTOFNSA-N 0 3 341.263 4.138 20 30 EIEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC2CCCCC2)cc1 ZINC000131752985 1056642292 /nfs/dbraw/zinc/64/22/92/1056642292.db2.gz VGFGSROGAHLYEU-SFHVURJKSA-N 0 3 342.439 4.093 20 30 EIEDHN N#Cc1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)cc1Cl ZINC000110788921 1056697515 /nfs/dbraw/zinc/69/75/15/1056697515.db2.gz WDUCUYVHDFXNEZ-UHFFFAOYSA-N 0 3 343.833 4.063 20 30 EIEDHN N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)cc1C(F)(F)F ZINC000111104196 1056746305 /nfs/dbraw/zinc/74/63/05/1056746305.db2.gz NCHMDYPBLKIIKY-INIZCTEOSA-N 0 3 349.356 4.419 20 30 EIEDHN COc1ccc(CNCc2ccc(OC3CCCC3)cc2)cc1C#N ZINC000742370120 1058571791 /nfs/dbraw/zinc/57/17/91/1058571791.db2.gz GNHOAKAAJOLBIK-UHFFFAOYSA-N 0 3 336.435 4.178 20 30 EIEDHN N#CC(C(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ccc2ccccc2n1 ZINC000744015700 1059218939 /nfs/dbraw/zinc/21/89/39/1059218939.db2.gz AXXUXTKUUPEXPL-GEQKSPFYSA-N 0 3 338.410 4.315 20 30 EIEDHN C#C[C@@H](N[C@@H](C)CCc1cccnc1)c1ccc(Br)cc1 ZINC001205991009 1060271871 /nfs/dbraw/zinc/27/18/71/1060271871.db2.gz ZWDPAVJUVMNINQ-KBXCAEBGSA-N 0 3 343.268 4.129 20 30 EIEDHN N#CC12CCC(Nc3nc4cccc(Br)c4[nH]3)(CC1)CC2 ZINC001169749923 1060929506 /nfs/dbraw/zinc/92/95/06/1060929506.db2.gz JRUPEULCBPGVCT-UHFFFAOYSA-N 0 3 345.244 4.354 20 30 EIEDHN C#CCCCN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000766895536 1061055729 /nfs/dbraw/zinc/05/57/29/1061055729.db2.gz QCGMCASYCSDALO-FQEVSTJZSA-N 0 3 341.476 4.126 20 30 EIEDHN CCOc1cccc(CN[C@@H](C)CC(C)(C)C#N)c1OC(F)F ZINC000925254044 1032116399 /nfs/dbraw/zinc/11/63/99/1032116399.db2.gz MAGSYRFSBSQEMK-LBPRGKRZSA-N 0 3 326.387 4.105 20 30 EIEDHN C=CCOc1ccc(CN[C@H](CC)c2ccc3c(c2)OCCO3)cc1 ZINC000237014628 1032215575 /nfs/dbraw/zinc/21/55/75/1032215575.db2.gz XTGJTTJGPURXBR-LJQANCHMSA-N 0 3 339.435 4.264 20 30 EIEDHN N#CCCn1cc(CN2CCC[C@@H]3CCC[C@H]32)c(-c2ccccc2)n1 ZINC000245556944 1032311667 /nfs/dbraw/zinc/31/16/67/1032311667.db2.gz JLRCURYZBDVAFZ-FXAWDEMLSA-N 0 3 334.467 4.228 20 30 EIEDHN CCCN(CC(=O)Nc1sccc1C#N)[C@H](CC)c1ccccc1 ZINC000532929703 1032393577 /nfs/dbraw/zinc/39/35/77/1032393577.db2.gz PIPHKDVPNPNWAW-QGZVFWFLSA-N 0 3 341.480 4.422 20 30 EIEDHN COc1ccc(CCN(CCCC#N)Cc2ccsc2)cc1OC ZINC000178370782 1032536040 /nfs/dbraw/zinc/53/60/40/1032536040.db2.gz MUJPHIVUOPKDID-UHFFFAOYSA-N 0 3 344.480 4.114 20 30 EIEDHN CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)C(C)C ZINC000533256568 1032568277 /nfs/dbraw/zinc/56/82/77/1032568277.db2.gz SDRYIXQZKZJBOC-HZPDHXFCSA-N 0 3 347.528 4.243 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H](C)CCC[C@H]2C)c1C ZINC000610216555 1019415021 /nfs/dbraw/zinc/41/50/21/1019415021.db2.gz PYPCIHGSYFYJLR-FUHWJXTLSA-N 0 3 341.499 4.061 20 30 EIEDHN C#CCN(CCSc1cccc(OC)c1)[C@@H]1CCc2ccccc21 ZINC001167178530 1020485449 /nfs/dbraw/zinc/48/54/49/1020485449.db2.gz CUXWHCOQEWSBAA-OAQYLSRUSA-N 0 3 337.488 4.410 20 30 EIEDHN C#CCN(CCSc1cccc(OC)c1)[C@H]1CCc2ccccc21 ZINC001167178529 1020485606 /nfs/dbraw/zinc/48/56/06/1020485606.db2.gz CUXWHCOQEWSBAA-NRFANRHFSA-N 0 3 337.488 4.410 20 30 EIEDHN C#CCN(Cc1ccc(-n2ccnc2)cc1C)[C@@H]1CCc2ccccc21 ZINC001167179332 1020489244 /nfs/dbraw/zinc/48/92/44/1020489244.db2.gz ZRPTTYGBJXSETK-HSZRJFAPSA-N 0 3 341.458 4.303 20 30 EIEDHN COCCN(CC#Cc1ccc(Cl)cc1)CCCc1ccccc1 ZINC001167270328 1020743931 /nfs/dbraw/zinc/74/39/31/1020743931.db2.gz GXEDXYDRJPFIIW-UHFFFAOYSA-N 0 3 341.882 4.273 20 30 EIEDHN C=CCN(CCc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167273618 1020751146 /nfs/dbraw/zinc/75/11/46/1020751146.db2.gz NBWQPYWAEJJEAI-UHFFFAOYSA-N 0 3 330.815 4.479 20 30 EIEDHN Cc1cc(C#N)ccc1CN(C)Cc1cccc(Br)c1 ZINC000165449950 1021079765 /nfs/dbraw/zinc/07/97/65/1021079765.db2.gz FTUKLRRZKMHTQW-UHFFFAOYSA-N 0 3 329.241 4.261 20 30 EIEDHN Cc1cc(C#N)ccc1CN(C)Cc1ccc(Br)cc1 ZINC000165449787 1021080152 /nfs/dbraw/zinc/08/01/52/1021080152.db2.gz MILOEASKPFHURC-UHFFFAOYSA-N 0 3 329.241 4.261 20 30 EIEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(OCC(F)(F)F)cc1 ZINC000177690539 1021452313 /nfs/dbraw/zinc/45/23/13/1021452313.db2.gz REYXFSDODFUIKN-NSHDSACASA-N 0 3 340.370 4.412 20 30 EIEDHN COc1cc(CNCc2cccc(OC3CCCC3)c2)ccc1C#N ZINC000579897485 1021658163 /nfs/dbraw/zinc/65/81/63/1021658163.db2.gz DFFUDDDOVQAIKZ-UHFFFAOYSA-N 0 3 336.435 4.178 20 30 EIEDHN N#Cc1ccc(CNC[C@H](Cc2ccccc2)C(F)(F)F)c(F)c1 ZINC000580249914 1021801757 /nfs/dbraw/zinc/80/17/57/1021801757.db2.gz RFNZRRUWLLDHNZ-INIZCTEOSA-N 0 3 336.332 4.208 20 30 EIEDHN N#CC(C(=O)c1cc2ccc(F)cc2s1)c1nc2ccccc2[nH]1 ZINC000613287402 1021852422 /nfs/dbraw/zinc/85/24/22/1021852422.db2.gz QLZGGZIAEMBPJR-GFCCVEGCSA-N 0 3 335.363 4.407 20 30 EIEDHN C#CCOc1ccc([C@H](C)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000178121100 1021980549 /nfs/dbraw/zinc/98/05/49/1021980549.db2.gz GGUJVZBTIBFKRT-BULFRSBZSA-N 0 3 335.447 4.270 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414152679 1021984802 /nfs/dbraw/zinc/98/48/02/1021984802.db2.gz QPGFKKBGMWZJAR-ZVZYQTTQSA-N 0 3 328.481 4.442 20 30 EIEDHN Cc1nccn1-c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1F ZINC000181574057 1022392059 /nfs/dbraw/zinc/39/20/59/1022392059.db2.gz CEQQDVVEATWORO-CQSZACIVSA-N 0 3 334.398 4.042 20 30 EIEDHN C=CCC[C@@H](O)CN1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000472939228 1022471175 /nfs/dbraw/zinc/47/11/75/1022471175.db2.gz MLKKBRFJBMTMQK-IFMALSPDSA-N 0 3 337.463 4.122 20 30 EIEDHN Cc1ccc2[nH]c([C@@H]3CCCN(Cc4ccc(F)c(C#N)c4)C3)nc2c1 ZINC000181145480 1022889609 /nfs/dbraw/zinc/88/96/09/1022889609.db2.gz WHAZQBQKLHHEQY-MRXNPFEDSA-N 0 3 348.425 4.262 20 30 EIEDHN Cc1ccc2nc([C@@H]3CCCN(Cc4ccc(F)c(C#N)c4)C3)[nH]c2c1 ZINC000181145480 1022889610 /nfs/dbraw/zinc/88/96/10/1022889610.db2.gz WHAZQBQKLHHEQY-MRXNPFEDSA-N 0 3 348.425 4.262 20 30 EIEDHN N#Cc1csc(CN[C@@H]2CCc3cc(Br)ccc32)c1 ZINC000610488682 1022897138 /nfs/dbraw/zinc/89/71/38/1022897138.db2.gz IRKQWCRUKAEQIA-OAHLLOKOSA-N 0 3 333.254 4.159 20 30 EIEDHN CC[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000341221248 1023398556 /nfs/dbraw/zinc/39/85/56/1023398556.db2.gz UIQQPBBFLOZUFA-XLIONFOSSA-N 0 3 335.451 4.063 20 30 EIEDHN C=CCOc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(N)cc32)cc1 ZINC000415021684 1023399238 /nfs/dbraw/zinc/39/92/38/1023399238.db2.gz HRKRFLMEIVEOME-IBGZPJMESA-N 0 3 338.451 4.226 20 30 EIEDHN COc1ccc(CN(CCC(C)(C)C#N)CC2CCC2)c(OC)c1 ZINC000549167409 1023412317 /nfs/dbraw/zinc/41/23/17/1023412317.db2.gz VBFVWLHDLKTIJU-UHFFFAOYSA-N 0 3 330.472 4.246 20 30 EIEDHN N#CC1(CCCCN[C@H](CO)c2cccc(Cl)c2Cl)CCC1 ZINC000931058424 1023518939 /nfs/dbraw/zinc/51/89/39/1023518939.db2.gz DRHISQJSZQNZNO-OAHLLOKOSA-N 0 3 341.282 4.481 20 30 EIEDHN COc1ccc2oc(CN[C@@H]3CCCc4cc(C#N)ccc43)cc2c1 ZINC000418148074 1023566122 /nfs/dbraw/zinc/56/61/22/1023566122.db2.gz SLPXRWFXPIYYNH-HXUWFJFHSA-N 0 3 332.403 4.480 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccccc1Cl ZINC000123448510 1023629272 /nfs/dbraw/zinc/62/92/72/1023629272.db2.gz KBELAMFOUOJWJP-CQSZACIVSA-N 0 3 337.810 4.036 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000220354311 1023679768 /nfs/dbraw/zinc/67/97/68/1023679768.db2.gz FBMDSDFCIYEMHI-UONOGXRCSA-N 0 3 342.405 4.169 20 30 EIEDHN Cc1cc(Br)ccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000177112457 1023743860 /nfs/dbraw/zinc/74/38/60/1023743860.db2.gz HBHTUWOCWIOHGP-ZDUSSCGKSA-N 0 3 329.241 4.480 20 30 EIEDHN COc1ccc(C[C@@H]2CCCN(Cc3cc(C#N)ccc3F)C2)cc1 ZINC000566789459 1023813888 /nfs/dbraw/zinc/81/38/88/1023813888.db2.gz BTWVQBQTEGUJIT-SFHVURJKSA-N 0 3 338.426 4.161 20 30 EIEDHN Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167492418 1023956087 /nfs/dbraw/zinc/95/60/87/1023956087.db2.gz SCPPITOWLHDZOG-NHCUHLMSSA-N 0 3 347.462 4.073 20 30 EIEDHN N#CCC1(CN[C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000430744069 1024001995 /nfs/dbraw/zinc/00/19/95/1024001995.db2.gz TZVIMPMLWYCRDK-CQSZACIVSA-N 0 3 339.664 4.373 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430913783 1024219947 /nfs/dbraw/zinc/21/99/47/1024219947.db2.gz YDAYJYLCWIPMEG-AVRDEDQJSA-N 0 3 334.463 4.343 20 30 EIEDHN C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccnc1 ZINC000066904917 1024388476 /nfs/dbraw/zinc/38/84/76/1024388476.db2.gz MXUFNEPOCMQACP-QGZVFWFLSA-N 0 3 343.430 4.383 20 30 EIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000341762373 1024628787 /nfs/dbraw/zinc/62/87/87/1024628787.db2.gz URVZTDNVYJNFIX-IFXJQAMLSA-N 0 3 334.419 4.058 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(OC(F)F)cc1 ZINC000341763497 1024635855 /nfs/dbraw/zinc/63/58/55/1024635855.db2.gz ZNQOTTXSFZWBDP-SFHVURJKSA-N 0 3 328.362 4.327 20 30 EIEDHN CC[C@H](NCc1cccc(OCCCOC)c1)c1ccc(C#N)cc1 ZINC000278894991 1025352311 /nfs/dbraw/zinc/35/23/11/1025352311.db2.gz YVPXXEDQCQZFAI-NRFANRHFSA-N 0 3 338.451 4.214 20 30 EIEDHN C=CCC[C@H](NCC(=O)N(CC)CC)c1ccc(C(F)(F)F)cc1 ZINC000342195690 1025418568 /nfs/dbraw/zinc/41/85/68/1025418568.db2.gz CLGVVKGLWYNYRP-INIZCTEOSA-N 0 3 342.405 4.171 20 30 EIEDHN Cc1ccc(C(=O)Nc2cccc(CN[C@H]3CC[C@H](C#N)C3)c2)cc1 ZINC000472141370 1026006594 /nfs/dbraw/zinc/00/65/94/1026006594.db2.gz BNBDELPSTLGOBG-LPHOPBHVSA-N 0 3 333.435 4.029 20 30 EIEDHN COCCSc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1 ZINC000344165330 1026081007 /nfs/dbraw/zinc/08/10/07/1026081007.db2.gz QOGSHHQPFHVYAI-CYBMUJFWSA-N 0 3 332.494 4.209 20 30 EIEDHN Cc1cc(CN[C@@H](C)c2ccc(-n3cccn3)c(F)c2)ccc1C#N ZINC000550275209 1026465290 /nfs/dbraw/zinc/46/52/90/1026465290.db2.gz YLLOOSGTYJZXGR-HNNXBMFYSA-N 0 3 334.398 4.042 20 30 EIEDHN N#CC(C(=O)C=Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000051655315 1026585367 /nfs/dbraw/zinc/58/53/67/1026585367.db2.gz HHBZEWWGVNFBOG-PLSXKVAHSA-N 0 3 337.329 4.321 20 30 EIEDHN Cc1cc(Br)ccc1CN(C)Cc1cccc(C#N)c1 ZINC000507244845 1026720196 /nfs/dbraw/zinc/72/01/96/1026720196.db2.gz USNPREANEFUQSC-UHFFFAOYSA-N 0 3 329.241 4.261 20 30 EIEDHN CCCN(CC(=O)NC1(C#N)CCCCC1)[C@H](CC)c1ccccc1 ZINC000519907019 1027038758 /nfs/dbraw/zinc/03/87/58/1027038758.db2.gz GBCPCYYIUDHFQR-LJQANCHMSA-N 0 3 341.499 4.192 20 30 EIEDHN C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000178643427 1027061958 /nfs/dbraw/zinc/06/19/58/1027061958.db2.gz VXOAILSOWRSKJB-HZPDHXFCSA-N 0 3 333.435 4.097 20 30 EIEDHN C[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(C#N)cc1 ZINC000075755818 1027065929 /nfs/dbraw/zinc/06/59/29/1027065929.db2.gz HHOARLJPKWBYRV-ZDUSSCGKSA-N 0 3 342.826 4.224 20 30 EIEDHN C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)C1CCCCC1 ZINC000185506892 1027402677 /nfs/dbraw/zinc/40/26/77/1027402677.db2.gz UMSKGMPXBKBRTD-LSDHHAIUSA-N 0 3 338.455 4.303 20 30 EIEDHN CCn1c2ccccc2nc1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000329154914 1027615002 /nfs/dbraw/zinc/61/50/02/1027615002.db2.gz APPDFJCWNLKBKO-QGZVFWFLSA-N 0 3 326.444 4.051 20 30 EIEDHN O=C(C[C@@H]1CCCCC(=O)N1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000329199010 1027640024 /nfs/dbraw/zinc/64/00/24/1027640024.db2.gz ASWWCONHBPGDTB-ZWKOTPCHSA-N 0 3 343.471 4.069 20 30 EIEDHN CC1(C)CCc2ccccc2[C@@H](NCC(=O)NC2(C#N)CCC2)C1 ZINC000329239775 1027663909 /nfs/dbraw/zinc/66/39/09/1027663909.db2.gz QOUDMTLEUVMWOI-KRWDZBQOSA-N 0 3 325.456 4.083 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2CCC(C)C)CC1 ZINC000473962080 1027753899 /nfs/dbraw/zinc/75/38/99/1027753899.db2.gz XZAQYMVIGPTBQL-LJQANCHMSA-N 0 3 335.536 4.027 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cc(Br)c(C)cc2C)n1 ZINC000453596586 1027822283 /nfs/dbraw/zinc/82/22/83/1027822283.db2.gz XEAVNVHOAUYYLS-LBPRGKRZSA-N 0 3 349.253 4.321 20 30 EIEDHN COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1CCCCC(C)(C)C#N ZINC000444652148 1027923351 /nfs/dbraw/zinc/92/33/51/1027923351.db2.gz WRCBGBAXFYXUOV-QZTJIDSGSA-N 0 3 334.504 4.150 20 30 EIEDHN CC(C)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1CCC1 ZINC000444772938 1028054547 /nfs/dbraw/zinc/05/45/47/1028054547.db2.gz XYUPUXYKSYYGEO-UHFFFAOYSA-N 0 3 347.890 4.097 20 30 EIEDHN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000329846025 1028139227 /nfs/dbraw/zinc/13/92/27/1028139227.db2.gz QOLIONIBJUIXBG-GJZGRUSLSA-N 0 3 349.500 4.131 20 30 EIEDHN CC[C@@H](NCc1cccc(C(=O)N[C@@H](C)CC)c1)c1ccc(C#N)cc1 ZINC000278175662 1028402063 /nfs/dbraw/zinc/40/20/63/1028402063.db2.gz CWNGUECZYCCTJC-HRAATJIYSA-N 0 3 349.478 4.327 20 30 EIEDHN CC[C@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(C#N)cc1 ZINC000572945572 1028452986 /nfs/dbraw/zinc/45/29/86/1028452986.db2.gz HWEVPYOCLVROHS-INIZCTEOSA-N 0 3 349.356 4.135 20 30 EIEDHN N#Cc1cccc(C2(N[C@@H]3CCCCc4cc(C#N)ccc43)CC2)c1 ZINC000583337370 1028541629 /nfs/dbraw/zinc/54/16/29/1028541629.db2.gz USEVNZRKEIRPCK-OAQYLSRUSA-N 0 3 327.431 4.476 20 30 EIEDHN C=CCc1cc(C[NH2+][C@@H](CC)c2ccccc2[O-])cc(OC)c1OC ZINC000156486727 1028731615 /nfs/dbraw/zinc/73/16/15/1028731615.db2.gz GLAXLSMTPDMFJO-SFHVURJKSA-N 0 3 341.451 4.379 20 30 EIEDHN CCC1CCC(N(C)CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000444031725 1028746940 /nfs/dbraw/zinc/74/69/40/1028746940.db2.gz NSUNMLQJFFRTDC-UHFFFAOYSA-N 0 3 345.512 4.141 20 30 EIEDHN CC(C)[C@@H](CC(F)(F)F)NCc1ccc(C#N)cc1OC(F)F ZINC000445884819 1028971091 /nfs/dbraw/zinc/97/10/91/1028971091.db2.gz IVZAVHOQAROLBY-GFCCVEGCSA-N 0 3 336.304 4.226 20 30 EIEDHN C=CC[C@H](CO)N[C@H](CC)c1ccc(Br)cc1Cl ZINC000343490771 1029357733 /nfs/dbraw/zinc/35/77/33/1029357733.db2.gz AYBAFJLOXQQJAN-BXUZGUMPSA-N 0 3 332.669 4.080 20 30 EIEDHN CC(C)(C#N)CCCCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000278539413 1029451230 /nfs/dbraw/zinc/45/12/30/1029451230.db2.gz ABEIZVAVBCGUAR-UHFFFAOYSA-N 0 3 334.891 4.343 20 30 EIEDHN C[C@H](NCc1ccnc(C#N)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807103 1029639773 /nfs/dbraw/zinc/63/97/73/1029639773.db2.gz FGWDKCUTEWHNEE-INIZCTEOSA-N 0 3 338.414 4.343 20 30 EIEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000192907683 1029640019 /nfs/dbraw/zinc/64/00/19/1029640019.db2.gz HLYBFSCCNHJYJY-CYBMUJFWSA-N 0 3 334.341 4.459 20 30 EIEDHN N#CCCCOc1cccc(CN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000446976061 1029655539 /nfs/dbraw/zinc/65/55/39/1029655539.db2.gz FJXMXIKMPKFLAF-OAHLLOKOSA-N 0 3 326.362 4.143 20 30 EIEDHN CC[C@H](NCc1cccc(OCC(F)F)c1)c1ccc(C#N)cc1 ZINC000278725342 1029742331 /nfs/dbraw/zinc/74/23/31/1029742331.db2.gz MJGKCKFEGNYKPT-SFHVURJKSA-N 0 3 330.378 4.443 20 30 EIEDHN Cc1nccn1-c1ccc([C@@H](C)NCC#Cc2ccc(F)cc2)cc1 ZINC000183687460 1030017619 /nfs/dbraw/zinc/01/76/19/1030017619.db2.gz SMQTVZNHNFNVIS-MRXNPFEDSA-N 0 3 333.410 4.022 20 30 EIEDHN COc1cc(C#N)ccc1CN1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451139793 1030254435 /nfs/dbraw/zinc/25/44/35/1030254435.db2.gz AYLOLTSGPFFSSO-YWPYICTPSA-N 0 3 326.362 4.118 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cc2ccccc2s1 ZINC000526944620 1030338424 /nfs/dbraw/zinc/33/84/24/1030338424.db2.gz GOSJLLZUFKZPDM-HUUCEWRRSA-N 0 3 330.497 4.365 20 30 EIEDHN CCc1nn(-c2ccccc2)c(CC)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000448032194 1030529419 /nfs/dbraw/zinc/52/94/19/1030529419.db2.gz WAWDKACRIDTSOI-IRXDYDNUSA-N 0 3 336.483 4.169 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@H]1CCc2ccccc21 ZINC000892419237 1030741769 /nfs/dbraw/zinc/74/17/69/1030741769.db2.gz AICIQTQVENITCW-SJLPKXTDSA-N 0 3 343.430 4.260 20 30 EIEDHN N#CC(C(=O)CC[C@@H]1CCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000892420855 1030747026 /nfs/dbraw/zinc/74/70/26/1030747026.db2.gz YYJWYQXDHYXFBZ-RDJZCZTQSA-N 0 3 329.403 4.249 20 30 EIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000399278016 1030747484 /nfs/dbraw/zinc/74/74/84/1030747484.db2.gz WMMKMRBUCQGCLI-CYBMUJFWSA-N 0 3 329.241 4.366 20 30 EIEDHN N#Cc1cccc(CNC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000237660485 1030847123 /nfs/dbraw/zinc/84/71/23/1030847123.db2.gz YDIFCEPAYWBMQM-UHFFFAOYSA-N 0 3 326.827 4.007 20 30 EIEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)c(C)s1 ZINC000527808222 1030855182 /nfs/dbraw/zinc/85/51/82/1030855182.db2.gz FKYLOCYDRGNJIC-UHFFFAOYSA-N 0 3 326.465 4.032 20 30 EIEDHN N#Cc1csc(CNCc2cccc(COc3ccccc3)c2)c1 ZINC000531117675 1030896791 /nfs/dbraw/zinc/89/67/91/1030896791.db2.gz XAHXUHJKRUXPLC-UHFFFAOYSA-N 0 3 334.444 4.489 20 30 EIEDHN N#CC(C(=O)c1cc2c(s1)CCC2)c1ccc(C(F)(F)F)cn1 ZINC000123613063 1031473555 /nfs/dbraw/zinc/47/35/55/1031473555.db2.gz UGIBKWWEXCQYMH-LLVKDONJSA-N 0 3 336.338 4.141 20 30 EIEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000892494810 1031490890 /nfs/dbraw/zinc/49/08/90/1031490890.db2.gz IRUBZLKUAXAPSM-INIZCTEOSA-N 0 3 326.440 4.061 20 30 EIEDHN CCc1ccc([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000531716066 1031501732 /nfs/dbraw/zinc/50/17/32/1031501732.db2.gz WWCAHIGRACOWCV-GOEBONIOSA-N 0 3 341.430 4.172 20 30 EIEDHN CC[C@](C)(COc1ncccc1Cl)NCc1cc(C#N)ccc1F ZINC000441312422 1031625535 /nfs/dbraw/zinc/62/55/35/1031625535.db2.gz ZJMXPMIITODBNO-GOSISDBHSA-N 0 3 347.821 4.083 20 30 EIEDHN CN(Cc1cccc(C#N)c1)Cc1cccc(OCC(F)(F)F)c1 ZINC000053355627 1031767713 /nfs/dbraw/zinc/76/77/13/1031767713.db2.gz SSGGMMAMWOYFFT-UHFFFAOYSA-N 0 3 334.341 4.131 20 30 EIEDHN N#Cc1csc(CN[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000449790084 1032017807 /nfs/dbraw/zinc/01/78/07/1032017807.db2.gz JOWNDIDSHWXBDV-DZGCQCFKSA-N 0 3 331.872 4.484 20 30 EIEDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000245778498 1033424222 /nfs/dbraw/zinc/42/42/22/1033424222.db2.gz ZONBEPVSGDDPTP-RHSMWYFYSA-N 0 3 343.496 4.173 20 30 EIEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1Cl ZINC000573734172 1033440362 /nfs/dbraw/zinc/44/03/62/1033440362.db2.gz VJJGRNOIJKTKEK-GFCCVEGCSA-N 0 3 330.815 4.080 20 30 EIEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000512612807 1033495350 /nfs/dbraw/zinc/49/53/50/1033495350.db2.gz PYUMPRCWXSRADF-KPZWWZAWSA-N 0 3 332.806 4.389 20 30 EIEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000614179577 1033608370 /nfs/dbraw/zinc/60/83/70/1033608370.db2.gz SKYJROYKBDVISL-MYYSRTQBSA-N 0 3 340.492 4.076 20 30 EIEDHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433011259 1033649089 /nfs/dbraw/zinc/64/90/89/1033649089.db2.gz NTDWJFOGMXFBJE-RLLQIKCJSA-N 0 3 341.499 4.048 20 30 EIEDHN C[C@@H](NC[C@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1F ZINC000512666375 1033661080 /nfs/dbraw/zinc/66/10/80/1033661080.db2.gz KFCLFVRTQPUUEI-RDTXWAMCSA-N 0 3 343.471 4.247 20 30 EIEDHN Cc1ccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1C ZINC000433018947 1033666299 /nfs/dbraw/zinc/66/62/99/1033666299.db2.gz GZVLJZBARSHEHR-FQEVSTJZSA-N 0 3 335.451 4.267 20 30 EIEDHN CN(CCc1cccc2ccccc21)Cc1cnc2ccc(C#N)cn12 ZINC000512664251 1033674388 /nfs/dbraw/zinc/67/43/88/1033674388.db2.gz YTECGRGJBRVPQT-UHFFFAOYSA-N 0 3 340.430 4.034 20 30 EIEDHN C[C@@H](c1ccccc1)N(C)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433023286 1033679803 /nfs/dbraw/zinc/67/98/03/1033679803.db2.gz OMLLHCSLZZEXHZ-GHTZIAJQSA-N 0 3 349.478 4.231 20 30 EIEDHN Cc1cc(C)n(-c2ccccc2CN[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000151053517 1034629131 /nfs/dbraw/zinc/62/91/31/1034629131.db2.gz QJISEOCOJWQLHN-KRWDZBQOSA-N 0 3 330.435 4.212 20 30 EIEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CC2)ccc1Br ZINC000501012746 1035344981 /nfs/dbraw/zinc/34/49/81/1035344981.db2.gz XDKRTVMPEYCKDM-UHFFFAOYSA-N 0 3 341.252 4.408 20 30 EIEDHN Cc1ccc(F)c(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000419837591 1035423130 /nfs/dbraw/zinc/42/31/30/1035423130.db2.gz MJVHNVBBVRDYTK-LLVKDONJSA-N 0 3 331.416 4.134 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000419839617 1035424734 /nfs/dbraw/zinc/42/47/34/1035424734.db2.gz QNKRDOITAAKRCB-GFCCVEGCSA-N 0 3 333.844 4.340 20 30 EIEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cncc(Br)c1 ZINC000595042191 1035565923 /nfs/dbraw/zinc/56/59/23/1035565923.db2.gz JUEDARPLSDNYGZ-DIFFPNOSSA-N 0 3 342.240 4.054 20 30 EIEDHN C=CCN(CCC(=O)Nc1ccc(OCC)cc1)Cc1cccs1 ZINC000485005848 1035588151 /nfs/dbraw/zinc/58/81/51/1035588151.db2.gz ZXRNXVSBOMFELZ-UHFFFAOYSA-N 0 3 344.480 4.164 20 30 EIEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761192617 1036005291 /nfs/dbraw/zinc/00/52/91/1036005291.db2.gz VDLOXPFVVMNKEU-UHFFFAOYSA-N 0 3 344.842 4.338 20 30 EIEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761192617 1036005317 /nfs/dbraw/zinc/00/53/17/1036005317.db2.gz VDLOXPFVVMNKEU-UHFFFAOYSA-N 0 3 344.842 4.338 20 30 EIEDHN N#Cc1cccc(OC2CCN(Cc3cc4ccncc4s3)CC2)c1 ZINC000596989023 1036071997 /nfs/dbraw/zinc/07/19/97/1036071997.db2.gz MVFMENKYNHZAJH-UHFFFAOYSA-N 0 3 349.459 4.211 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N(C2CC2)C2CCC(CC)CC2)CC1 ZINC000485611188 1036074699 /nfs/dbraw/zinc/07/46/99/1036074699.db2.gz QEYSVJJKVXUMBZ-UHFFFAOYSA-N 0 3 347.547 4.170 20 30 EIEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)cc(C)c1OCc1ccccn1 ZINC000597173857 1036142077 /nfs/dbraw/zinc/14/20/77/1036142077.db2.gz LVXRSUNHTMDCBD-IBGZPJMESA-N 0 3 349.478 4.403 20 30 EIEDHN N#CC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597174319 1036143513 /nfs/dbraw/zinc/14/35/13/1036143513.db2.gz OVHNPQZHAOHMLK-CQSZACIVSA-N 0 3 341.436 4.449 20 30 EIEDHN CC(C)c1ccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)s2)cc1 ZINC000421347890 1036292886 /nfs/dbraw/zinc/29/28/86/1036292886.db2.gz DOXYXDRGBWUVBW-CQSZACIVSA-N 0 3 341.480 4.250 20 30 EIEDHN Cc1ccc(NC(=O)C[C@H](C)NCc2ccc(C#N)s2)c(Cl)c1 ZINC000421349335 1036294707 /nfs/dbraw/zinc/29/47/07/1036294707.db2.gz IKHXEEJTRAWDOU-LBPRGKRZSA-N 0 3 347.871 4.089 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000602572084 1036500522 /nfs/dbraw/zinc/50/05/22/1036500522.db2.gz TUFFEWKJKVDUJW-DLBZAZTESA-N 0 3 342.508 4.310 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000598592005 1036708368 /nfs/dbraw/zinc/70/83/68/1036708368.db2.gz DOCFSPWYHSZMSV-SFTDATJTSA-N 0 3 334.463 4.087 20 30 EIEDHN COc1cc([C@@H](C)NCc2cccc(C#N)c2)ccc1OC(F)F ZINC000192950388 1036719930 /nfs/dbraw/zinc/71/99/30/1036719930.db2.gz YZTUOUMKIAAEMS-GFCCVEGCSA-N 0 3 332.350 4.019 20 30 EIEDHN N#Cc1ccc2c(c1)[C@H](NCc1cc(F)cc(Br)c1)CC2 ZINC000589337927 1036737404 /nfs/dbraw/zinc/73/74/04/1036737404.db2.gz IHDYRFHGFMIZMY-QGZVFWFLSA-N 0 3 345.215 4.237 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000165264279 1036741392 /nfs/dbraw/zinc/74/13/92/1036741392.db2.gz JOKZQYICAGRFSH-YLFCFFPRSA-N 0 3 335.451 4.356 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)cc1C(F)(F)F ZINC000589513082 1036820875 /nfs/dbraw/zinc/82/08/75/1036820875.db2.gz WDUXWWJPZYFIHR-SFHVURJKSA-N 0 3 341.336 4.226 20 30 EIEDHN N#Cc1ccc(CN[C@H]2CCc3ccc(Br)cc32)s1 ZINC000421872485 1036841243 /nfs/dbraw/zinc/84/12/43/1036841243.db2.gz GUNKUNODYMPXJR-HNNXBMFYSA-N 0 3 333.254 4.159 20 30 EIEDHN N#Cc1ccc2ncc(CN[C@H]3CCCc4ccc(Cl)cc43)n2c1 ZINC000599007338 1036844352 /nfs/dbraw/zinc/84/43/52/1036844352.db2.gz ONNCFGOPPFNRCT-SFHVURJKSA-N 0 3 336.826 4.027 20 30 EIEDHN Cc1cc(CN2CCc3c(CC#N)cccc3C2)c2ccccc2n1 ZINC000599679462 1037130901 /nfs/dbraw/zinc/13/09/01/1037130901.db2.gz SQNHKYJSWCAOMK-UHFFFAOYSA-N 0 3 327.431 4.168 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000590749552 1037153526 /nfs/dbraw/zinc/15/35/26/1037153526.db2.gz CCDSGLOHJARGCI-GOSISDBHSA-N 0 3 348.368 4.099 20 30 EIEDHN C=CCC[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000487591072 1037169482 /nfs/dbraw/zinc/16/94/82/1037169482.db2.gz AKSYEMULNZLVTD-YADHBBJMSA-N 0 3 348.490 4.127 20 30 EIEDHN CN(Cc1ccc(C#N)cc1F)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521517 1037402443 /nfs/dbraw/zinc/40/24/43/1037402443.db2.gz OEWIEAYMBBLSJE-CTNGQTDRSA-N 0 3 338.426 4.297 20 30 EIEDHN Cc1cccc2[nH]cc(CC(=O)C(C#N)c3nc4ccccc4o3)c21 ZINC000171482403 1037423722 /nfs/dbraw/zinc/42/37/22/1037423722.db2.gz DAZBEIQLNWPZTK-CQSZACIVSA-N 0 3 329.359 4.037 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592160437 1037768439 /nfs/dbraw/zinc/76/84/39/1037768439.db2.gz TXJZODVHKSTCHW-OAHLLOKOSA-N 0 3 328.456 4.063 20 30 EIEDHN CC[C@@H](C)Oc1cc(CNCc2ccc(CC#N)cc2)ccc1OC ZINC000592371177 1037778181 /nfs/dbraw/zinc/77/81/81/1037778181.db2.gz ZCUWXARVHQCYMK-MRXNPFEDSA-N 0 3 338.451 4.228 20 30 EIEDHN N#CCCC1CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000592517230 1037823162 /nfs/dbraw/zinc/82/31/62/1037823162.db2.gz DFBDRNGHLYGXQX-UHFFFAOYSA-N 0 3 335.451 4.176 20 30 EIEDHN CN1CCCc2cc(CNCc3cccc(OCCCC#N)c3)ccc21 ZINC000237130514 1037906915 /nfs/dbraw/zinc/90/69/15/1037906915.db2.gz XVMXNWCXQWGRGU-UHFFFAOYSA-N 0 3 349.478 4.041 20 30 EIEDHN CCN(Cc1cn(C)nc1-c1ccc(C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000592497828 1038074745 /nfs/dbraw/zinc/07/47/45/1038074745.db2.gz ADZMCWXXNUJQES-INIZCTEOSA-N 0 3 348.450 4.443 20 30 EIEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2CCC[C@@H](C#N)C2)c2ccccc21 ZINC000593692663 1038155390 /nfs/dbraw/zinc/15/53/90/1038155390.db2.gz YRANEJQHZKDSIW-OHQAAIJDSA-N 0 3 340.467 4.229 20 30 EIEDHN C=CC[C@@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000489679592 1038206774 /nfs/dbraw/zinc/20/67/74/1038206774.db2.gz MTWIIVNJYWCDRH-FCHUYYIVSA-N 0 3 348.490 4.079 20 30 EIEDHN N#CC(C(=O)c1ccc(OC(F)F)cc1)c1nc2ccccc2s1 ZINC000046442438 1038207252 /nfs/dbraw/zinc/20/72/52/1038207252.db2.gz JXDUDRVTQHYABD-GFCCVEGCSA-N 0 3 344.342 4.388 20 30 EIEDHN Cc1cccc2c(CC(=O)C(C#N)c3nc4ccccc4o3)c[nH]c21 ZINC000172668799 1038247611 /nfs/dbraw/zinc/24/76/11/1038247611.db2.gz VCTRQMUBURYQTC-HNNXBMFYSA-N 0 3 329.359 4.037 20 30 EIEDHN CC[C@H](C)c1ccc([C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C)cc1 ZINC000594425242 1038341137 /nfs/dbraw/zinc/34/11/37/1038341137.db2.gz GPPDVAUYEFAFEX-VDGAXYAQSA-N 0 3 343.515 4.425 20 30 EIEDHN COC(=O)c1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000594496816 1038347467 /nfs/dbraw/zinc/34/74/67/1038347467.db2.gz WNWUOHPTIMBBOP-XOBRGWDASA-N 0 3 334.419 4.073 20 30 EIEDHN COC(=O)c1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000594504561 1038352039 /nfs/dbraw/zinc/35/20/39/1038352039.db2.gz PISAJPMWOXXSBT-JLTOFOAXSA-N 0 3 334.419 4.073 20 30 EIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(-n2cccn2)cc1 ZINC000594517141 1038357821 /nfs/dbraw/zinc/35/78/21/1038357821.db2.gz VPNDPCIHLCWSHF-QGZVFWFLSA-N 0 3 342.446 4.474 20 30 EIEDHN CCc1cccc2c1OCC[C@@H]2NCc1ccc(C2(C#N)CC2)cc1 ZINC000594918543 1038427105 /nfs/dbraw/zinc/42/71/05/1038427105.db2.gz BSIKMGUSOGIFAX-FQEVSTJZSA-N 0 3 332.447 4.418 20 30 EIEDHN N#CC(C(=O)[C@H]1C[C@]12CCCc1ccccc12)c1nc2ccccc2[nH]1 ZINC000173902954 1038781081 /nfs/dbraw/zinc/78/10/81/1038781081.db2.gz BGPFGDUEWJLCED-JLDZCNIISA-N 0 3 341.414 4.033 20 30 EIEDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000193003636 1038806076 /nfs/dbraw/zinc/80/60/76/1038806076.db2.gz CKCYAHHICQRONU-KBPBESRZSA-N 0 3 328.387 4.148 20 30 EIEDHN CC[C@H](CCc1ccc(Br)cc1)N[C@H]1CCC[C@H]1C#N ZINC000462067528 1038882769 /nfs/dbraw/zinc/88/27/69/1038882769.db2.gz MJWHRYXGOKTCAA-UAGQMJEPSA-N 0 3 335.289 4.442 20 30 EIEDHN COc1ccc(CNC2(c3ccc(Cl)cc3)CCC2)cc1C#N ZINC000174325323 1038905238 /nfs/dbraw/zinc/90/52/38/1038905238.db2.gz RZDSAONLMUVPLB-UHFFFAOYSA-N 0 3 326.827 4.389 20 30 EIEDHN CCC(CC)[C@@H](NCC(=O)Nc1sccc1C#N)c1cccs1 ZINC000539277965 1038907921 /nfs/dbraw/zinc/90/79/21/1038907921.db2.gz YIZAGTNVWSQPRJ-MRXNPFEDSA-N 0 3 347.509 4.387 20 30 EIEDHN Clc1ccc(C#CCN[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000539333581 1038981102 /nfs/dbraw/zinc/98/11/02/1038981102.db2.gz HQJUUZMCENNALF-NQIIRXRSSA-N 0 3 339.866 4.449 20 30 EIEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000539358983 1038994405 /nfs/dbraw/zinc/99/44/05/1038994405.db2.gz ATFVNHPSJDBBPQ-GOSISDBHSA-N 0 3 330.378 4.200 20 30 EIEDHN C=CCC[C@@H](NCC(=O)NCc1ccc(Cl)s1)c1ccccc1 ZINC000539359319 1038995085 /nfs/dbraw/zinc/99/50/85/1038995085.db2.gz KSRBOVDNLBDNST-MRXNPFEDSA-N 0 3 348.899 4.315 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN[C@@H]3CCCCC34CCCC4)o2)c1 ZINC000555259478 1039011276 /nfs/dbraw/zinc/01/12/76/1039011276.db2.gz PXGWFAPDRBDCTH-QGZVFWFLSA-N 0 3 336.439 4.201 20 30 EIEDHN C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@H](CCC#N)c1ccccc1 ZINC000090665563 1039269579 /nfs/dbraw/zinc/26/95/79/1039269579.db2.gz YTIYFCAVHLNUES-HNAYVOBHSA-N 0 3 339.414 4.177 20 30 EIEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(O)cc3)C2)c(C(F)(F)F)c1 ZINC000600214438 1039389149 /nfs/dbraw/zinc/38/91/49/1039389149.db2.gz QHZNARWRKCHAED-HNNXBMFYSA-N 0 3 346.352 4.272 20 30 EIEDHN N#CCCCOc1cccc(CN2CC(Cc3cccs3)C2)c1 ZINC000600215398 1039389296 /nfs/dbraw/zinc/38/92/96/1039389296.db2.gz JKSWWFCLCCVYAT-UHFFFAOYSA-N 0 3 326.465 4.105 20 30 EIEDHN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000192864307 1039477754 /nfs/dbraw/zinc/47/77/54/1039477754.db2.gz XNOJRPLMSFLNMM-HNNXBMFYSA-N 0 3 329.403 4.001 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@H](c3nccs3)C2)cc1OC ZINC000092788758 1039591351 /nfs/dbraw/zinc/59/13/51/1039591351.db2.gz VXSPQSVBBPBOAH-INIZCTEOSA-N 0 3 344.480 4.096 20 30 EIEDHN C=C(C)COc1cc(CN[C@H](c2cccnc2)C2CC2)ccc1OC ZINC000534645634 1039624248 /nfs/dbraw/zinc/62/42/48/1039624248.db2.gz IVFWYPDXVRYZQC-NRFANRHFSA-N 0 3 338.451 4.286 20 30 EIEDHN C=C(C)[C@H](NCCOc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000481634423 1039648705 /nfs/dbraw/zinc/64/87/05/1039648705.db2.gz ZFEXRRNOCLDOAX-IBGZPJMESA-N 0 3 328.362 4.122 20 30 EIEDHN C=C(C)[C@@H](NCCc1nc2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000481626140 1039657060 /nfs/dbraw/zinc/65/70/60/1039657060.db2.gz LJIRUWDOTRZJKO-HXUWFJFHSA-N 0 3 341.405 4.301 20 30 EIEDHN CCc1ccc([C@@H](CO)N[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481680329 1039723012 /nfs/dbraw/zinc/72/30/12/1039723012.db2.gz YVIOGMIPBXACLG-FGZHOGPDSA-N 0 3 334.463 4.211 20 30 EIEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000514232917 1039787098 /nfs/dbraw/zinc/78/70/98/1039787098.db2.gz SEWYFEMTVMVLQM-SGTLLEGYSA-N 0 3 332.806 4.389 20 30 EIEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000514232915 1039788719 /nfs/dbraw/zinc/78/87/19/1039788719.db2.gz SEWYFEMTVMVLQM-KPZWWZAWSA-N 0 3 332.806 4.389 20 30 EIEDHN CC[C@H](CN(CC)[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481730773 1039793198 /nfs/dbraw/zinc/79/31/98/1039793198.db2.gz DHGGJDPMMCLOEY-QZTJIDSGSA-N 0 3 349.478 4.401 20 30 EIEDHN C[C@H](c1ccncc1)N1CCC(Nc2c(Cl)cccc2C#N)CC1 ZINC000425243984 1039926052 /nfs/dbraw/zinc/92/60/52/1039926052.db2.gz UVKLPOHXMXHVDO-CQSZACIVSA-N 0 3 340.858 4.244 20 30 EIEDHN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCCC1 ZINC000514492132 1039942440 /nfs/dbraw/zinc/94/24/40/1039942440.db2.gz DVRKSXYVZNXMNV-UHFFFAOYSA-N 0 3 347.890 4.241 20 30 EIEDHN N#Cc1cccc(OC2CCN(Cc3ccnc4ccccc34)CC2)c1 ZINC000535080622 1039953911 /nfs/dbraw/zinc/95/39/11/1039953911.db2.gz BZTCWJTULPKANN-UHFFFAOYSA-N 0 3 343.430 4.150 20 30 EIEDHN N#Cc1ccc(CNCc2cc(-c3ccccc3)ccc2O)c(F)c1 ZINC000729855379 1039995672 /nfs/dbraw/zinc/99/56/72/1039995672.db2.gz VAMXSKIFKCJGRF-UHFFFAOYSA-N 0 3 332.378 4.360 20 30 EIEDHN N#Cc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c(F)c1 ZINC000729855379 1039995711 /nfs/dbraw/zinc/99/57/11/1039995711.db2.gz VAMXSKIFKCJGRF-UHFFFAOYSA-N 0 3 332.378 4.360 20 30 EIEDHN N#CC1(c2ccc(CN3CCC(C(=O)c4ccccc4)CC3)cc2)CC1 ZINC000667492812 1040374050 /nfs/dbraw/zinc/37/40/50/1040374050.db2.gz XQPKYZSIKXQWRC-UHFFFAOYSA-N 0 3 344.458 4.337 20 30 EIEDHN CC(C)[C@@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000553709295 1040444234 /nfs/dbraw/zinc/44/42/34/1040444234.db2.gz CMUHZDKLPCFKIC-POZUXBRTSA-N 0 3 349.906 4.070 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(-c2ccc(F)cc2)n1 ZINC000435746032 1040599137 /nfs/dbraw/zinc/59/91/37/1040599137.db2.gz SPNUWHKJUZKLFJ-PBHICJAKSA-N 0 3 332.444 4.020 20 30 EIEDHN CC(C)N(Cc1cc(C#N)n(C)c1)Cc1cccc(C(F)(F)F)c1 ZINC000483187201 1040762487 /nfs/dbraw/zinc/76/24/87/1040762487.db2.gz TXUISVOGPNIZGK-UHFFFAOYSA-N 0 3 335.373 4.326 20 30 EIEDHN C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483293223 1040801675 /nfs/dbraw/zinc/80/16/75/1040801675.db2.gz IBVSEVPKTYFVJN-ACJLOTCBSA-N 0 3 347.384 4.499 20 30 EIEDHN COc1ccc2cc(CN(C)Cc3ccc(C#N)c(F)c3)ccc2c1 ZINC000483519798 1040883944 /nfs/dbraw/zinc/88/39/44/1040883944.db2.gz PAZBRQXHLAULOR-UHFFFAOYSA-N 0 3 334.394 4.491 20 30 EIEDHN CN(CCc1cccc(Br)c1)Cc1cc(C#N)cs1 ZINC000462830118 1040983345 /nfs/dbraw/zinc/98/33/45/1040983345.db2.gz UIWXKMBXDXOATO-UHFFFAOYSA-N 0 3 335.270 4.057 20 30 EIEDHN CC[C@H](C)[C@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000538186957 1041145719 /nfs/dbraw/zinc/14/57/19/1041145719.db2.gz DJPQVVARSFDIIE-VCBZYWHSSA-N 0 3 349.906 4.025 20 30 EIEDHN Clc1ccc(C#CCN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000538193806 1041159204 /nfs/dbraw/zinc/15/92/04/1041159204.db2.gz GOSFAKPCSWVBLC-ICSRJNTNSA-N 0 3 325.839 4.059 20 30 EIEDHN C[C@H](NCC#Cc1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000538239546 1041192161 /nfs/dbraw/zinc/19/21/61/1041192161.db2.gz YVHQRLLQUPAPCO-INIZCTEOSA-N 0 3 335.838 4.228 20 30 EIEDHN Cn1c2ccccc2cc(CN[C@@H](CCCC#N)c2ccccc2)c1=O ZINC000516086756 1041385634 /nfs/dbraw/zinc/38/56/34/1041385634.db2.gz VOFAGMXCRCBBLG-FQEVSTJZSA-N 0 3 345.446 4.063 20 30 EIEDHN CCC(CC)[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000540376794 1041412712 /nfs/dbraw/zinc/41/27/12/1041412712.db2.gz SAMUTXUNQJJOOQ-LJQANCHMSA-N 0 3 341.480 4.325 20 30 EIEDHN C=CCSc1ccccc1NC(=O)CN([C@@H](C)C1CC1)C1CC1 ZINC000042123408 1041423810 /nfs/dbraw/zinc/42/38/10/1041423810.db2.gz IYXUPRDKXYEJQS-AWEZNQCLSA-N 0 3 330.497 4.166 20 30 EIEDHN CC1CCC(Oc2cc(CN[C@@H]3CCC[C@@H](C#N)C3)ccn2)CC1 ZINC000463235573 1041441767 /nfs/dbraw/zinc/44/17/67/1041441767.db2.gz GYXXXUFXPRGDFY-BDFRZKONSA-N 0 3 327.472 4.211 20 30 EIEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(OCc2cccnc2)cc1 ZINC000540549877 1041535541 /nfs/dbraw/zinc/53/55/41/1041535541.db2.gz WEHAPQKWWHIFSQ-HNNXBMFYSA-N 0 3 349.459 4.445 20 30 EIEDHN C[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1cccc(C#N)c1 ZINC000540594692 1041550519 /nfs/dbraw/zinc/55/05/19/1041550519.db2.gz XQLVQBIZZXTSSM-CYBMUJFWSA-N 0 3 342.826 4.224 20 30 EIEDHN C=CCCC[C@H](C)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000540646122 1041585277 /nfs/dbraw/zinc/58/52/77/1041585277.db2.gz CIDYKAXEPVGVDB-ZDUSSCGKSA-N 0 3 330.453 4.373 20 30 EIEDHN C[C@@H](NC[C@H](c1ccco1)N1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000540700926 1041603995 /nfs/dbraw/zinc/60/39/95/1041603995.db2.gz ARHNIEQIUUMWGU-DNVCBOLYSA-N 0 3 341.430 4.168 20 30 EIEDHN COc1cccc([C@@H]2C[C@H](C)CN2Cc2ccc(OC)c(C#N)c2)c1 ZINC000541322953 1041892933 /nfs/dbraw/zinc/89/29/33/1041892933.db2.gz XWHHRNJAXGNXJD-YWZLYKJASA-N 0 3 336.435 4.159 20 30 EIEDHN Cc1ccc(OCCN(C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000506128836 1041898665 /nfs/dbraw/zinc/89/86/65/1041898665.db2.gz LZCLBWDFPPCLLU-UHFFFAOYSA-N 0 3 338.451 4.188 20 30 EIEDHN CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000595719392 1042035916 /nfs/dbraw/zinc/03/59/16/1042035916.db2.gz SNBUFIXBQPQDMJ-UHFFFAOYSA-N 0 3 346.446 4.031 20 30 EIEDHN COc1ccc(C#N)cc1CN1CC[C@H](CSc2ccccc2)C1 ZINC000438191010 1042083079 /nfs/dbraw/zinc/08/30/79/1042083079.db2.gz PDEOASBTZQQHSR-KRWDZBQOSA-N 0 3 338.476 4.181 20 30 EIEDHN CC(C)n1ccc(C[C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000542137420 1042300006 /nfs/dbraw/zinc/30/00/06/1042300006.db2.gz LOKAEYMIFCGQQY-OAHLLOKOSA-N 0 3 349.400 4.055 20 30 EIEDHN COc1cccc([C@H]2C[C@H](C)CN2Cc2ccc(C#N)cc2OC)c1 ZINC000542247656 1042357938 /nfs/dbraw/zinc/35/79/38/1042357938.db2.gz FDOMYQLXFHOTMP-MGPUTAFESA-N 0 3 336.435 4.159 20 30 EIEDHN COc1cc([C@H](C)NCc2ccc(CC#N)cc2)ccc1OC(C)C ZINC000542256655 1042361621 /nfs/dbraw/zinc/36/16/21/1042361621.db2.gz WJBZMEUMEJZJOI-INIZCTEOSA-N 0 3 338.451 4.399 20 30 EIEDHN C[C@@H](N[C@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271934166 1042534407 /nfs/dbraw/zinc/53/44/07/1042534407.db2.gz METPKSQIOYERSU-IIBYNOLFSA-N 0 3 337.442 4.185 20 30 EIEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1c1cccc2ccccc21 ZINC000518595862 1042582928 /nfs/dbraw/zinc/58/29/28/1042582928.db2.gz ABLUOUVCLKDVII-UNMCSNQZSA-N 0 3 349.478 4.031 20 30 EIEDHN C=CCOc1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000506659855 1042748110 /nfs/dbraw/zinc/74/81/10/1042748110.db2.gz GQBJEZKNAWAZGP-UHFFFAOYSA-N 0 3 345.446 4.417 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2csc3ccccc23)CC1 ZINC000493738284 1042954788 /nfs/dbraw/zinc/95/47/88/1042954788.db2.gz UQEXJDMLVVWZTK-UHFFFAOYSA-N 0 3 329.469 4.063 20 30 EIEDHN CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000112599544 1043118821 /nfs/dbraw/zinc/11/88/21/1043118821.db2.gz LVVNPXFEUPQXQO-CHWSQXEVSA-N 0 3 333.863 4.049 20 30 EIEDHN COc1ccccc1C[C@H](NCc1ccc(F)cc1C#N)C(C)C ZINC000543492935 1043124206 /nfs/dbraw/zinc/12/42/06/1043124206.db2.gz MTKWHINFIVYZNM-IBGZPJMESA-N 0 3 326.415 4.063 20 30 EIEDHN C[C@@H](NC(C)(C)c1cccs1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000543504080 1043165470 /nfs/dbraw/zinc/16/54/70/1043165470.db2.gz GBDYKUZZTHAFKA-LLVKDONJSA-N 0 3 347.871 4.125 20 30 EIEDHN CCCCC[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000728063521 1043347219 /nfs/dbraw/zinc/34/72/19/1043347219.db2.gz RASHXLVSQAOGHC-IBGZPJMESA-N 0 3 333.439 4.012 20 30 EIEDHN Cc1c([C@@H](C)NCc2ccc(CC#N)cc2)cnn1-c1ccc(F)cc1 ZINC000347691493 1043814234 /nfs/dbraw/zinc/81/42/34/1043814234.db2.gz ZXNRWNBCTMEUCS-OAHLLOKOSA-N 0 3 348.425 4.237 20 30 EIEDHN CCOc1ccc(Oc2cc(CN[C@H]3CC[C@@H](C#N)C3)ccn2)cc1 ZINC000442716489 1043822481 /nfs/dbraw/zinc/82/24/81/1043822481.db2.gz OCOMVUKRHYTVAA-WBVHZDCISA-N 0 3 337.423 4.054 20 30 EIEDHN N#C[C@@H]1CC[C@H](N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)C1 ZINC000442827947 1043850957 /nfs/dbraw/zinc/85/09/57/1043850957.db2.gz QKYNQNKRCVZSIF-AYBZRNKSSA-N 0 3 325.843 4.301 20 30 EIEDHN COc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1Cl ZINC000732919417 1044034747 /nfs/dbraw/zinc/03/47/47/1044034747.db2.gz FNUGWDWQYIUAKT-CYBMUJFWSA-N 0 3 330.815 4.102 20 30 EIEDHN COc1ccccc1CC(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000733052661 1044076599 /nfs/dbraw/zinc/07/65/99/1044076599.db2.gz NZBCHLPJIMYFAN-OAHLLOKOSA-N 0 3 348.402 4.282 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000522037024 1044179918 /nfs/dbraw/zinc/17/99/18/1044179918.db2.gz BOYALSQCZMHZSA-UHFFFAOYSA-N 0 3 346.352 4.432 20 30 EIEDHN CCC(CC)CN(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000734149361 1044496627 /nfs/dbraw/zinc/49/66/27/1044496627.db2.gz JEOWVLSTCXKJDA-HNNXBMFYSA-N 0 3 343.496 4.231 20 30 EIEDHN N#Cc1cccc(CN[C@H]2CCCc3cc(OC(F)F)ccc32)c1 ZINC000069629992 1044540193 /nfs/dbraw/zinc/54/01/93/1044540193.db2.gz VQUYBKIDTNZVFH-SFHVURJKSA-N 0 3 328.362 4.327 20 30 EIEDHN N#CC(C(=O)c1ccc(-c2ccco2)s1)c1nc2ccccc2[nH]1 ZINC000675905856 1044575518 /nfs/dbraw/zinc/57/55/18/1044575518.db2.gz DZCXSIZVCOUEKU-NSHDSACASA-N 0 3 333.372 4.374 20 30 EIEDHN CC[C@@H](C/N=C/c1cc(Cl)ccc1[O-])[N@@H+]1CCc2ccccc2C1 ZINC000914701389 1044677075 /nfs/dbraw/zinc/67/70/75/1044677075.db2.gz HKEDIRXLMFAQAK-OZNZCJATSA-N 0 3 342.870 4.301 20 30 EIEDHN CC[C@@H](C/N=C/c1cc(Cl)ccc1[O-])[N@H+]1CCc2ccccc2C1 ZINC000914701389 1044677093 /nfs/dbraw/zinc/67/70/93/1044677093.db2.gz HKEDIRXLMFAQAK-OZNZCJATSA-N 0 3 342.870 4.301 20 30 EIEDHN CCCN(Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCCCO1 ZINC000735309418 1044797312 /nfs/dbraw/zinc/79/73/12/1044797312.db2.gz NHSWXZZWJOLSPU-KRWDZBQOSA-N 0 3 336.863 4.023 20 30 EIEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cc(C)nc2ccccc12 ZINC000124144391 1044829839 /nfs/dbraw/zinc/82/98/39/1044829839.db2.gz RTJCVFOEOLYMNX-UHFFFAOYSA-N 0 3 345.446 4.064 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3c(F)cccc3Cl)nc21 ZINC000735790981 1044866081 /nfs/dbraw/zinc/86/60/81/1044866081.db2.gz SRCQCNCEXDCNMT-LBPRGKRZSA-N 0 3 341.773 4.083 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)NC2CCC(C(C)(C)CC)CC2)CC1 ZINC000303349839 1044987314 /nfs/dbraw/zinc/98/73/14/1044987314.db2.gz QOODBCALERJIMC-UHFFFAOYSA-N 0 3 349.563 4.321 20 30 EIEDHN C=C(C)CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000509375126 1045058265 /nfs/dbraw/zinc/05/82/65/1045058265.db2.gz VFMWHYKDXPIFKP-UHFFFAOYSA-N 0 3 328.378 4.321 20 30 EIEDHN CCOc1ccc(/C=N/C[C@@H](c2ccsc2)N(CC)CC)c(O)c1 ZINC000915114865 1045113734 /nfs/dbraw/zinc/11/37/34/1045113734.db2.gz RVRVSVYFPJYXMU-TYJAPOHBSA-N 0 3 346.496 4.354 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2cccc(Cl)c2)c([O-])c1 ZINC000915115054 1045114128 /nfs/dbraw/zinc/11/41/28/1045114128.db2.gz UOGZLJQNVACBKK-CIPMJJFUSA-N 0 3 346.858 4.044 20 30 EIEDHN CC(C)C[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000542557617 1045123418 /nfs/dbraw/zinc/12/34/18/1045123418.db2.gz RSHXNNPCPCPCLX-CVEARBPZSA-N 0 3 347.528 4.156 20 30 EIEDHN C=CC[C@@H](N[C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccncc1 ZINC000766018426 1045193254 /nfs/dbraw/zinc/19/32/54/1045193254.db2.gz HSYSGPNIWLHHCU-WMLDXEAASA-N 0 3 342.439 4.075 20 30 EIEDHN COc1ccccc1-c1ccc([C@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000611397175 1045300628 /nfs/dbraw/zinc/30/06/28/1045300628.db2.gz YMOZYIXPPSYSLM-INIZCTEOSA-N 0 3 343.430 4.480 20 30 EIEDHN CC(C)(C)[C@H](NC[C@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168496214 1045416248 /nfs/dbraw/zinc/41/62/48/1045416248.db2.gz HBYZCAAVOOACEO-RBUKOAKNSA-N 0 3 344.405 4.247 20 30 EIEDHN N#CC(C(=O)CCC(=O)c1cccc(F)c1)c1ccc2ccccc2n1 ZINC000767434998 1045534910 /nfs/dbraw/zinc/53/49/10/1045534910.db2.gz XQIWXJDAIQETAL-QGZVFWFLSA-N 0 3 346.361 4.213 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000767693124 1045616164 /nfs/dbraw/zinc/61/61/64/1045616164.db2.gz YJWWXXGUZOEQGT-VKZJTJHYSA-N 0 3 330.472 4.149 20 30 EIEDHN C#CCCOc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000768215355 1045753415 /nfs/dbraw/zinc/75/34/15/1045753415.db2.gz DPYOXFQWSORWPT-UHFFFAOYSA-N 0 3 333.431 4.084 20 30 EIEDHN CN(C)/C=N/c1ccc(NCc2ccc(F)c(Cl)c2F)cc1C#N ZINC001168506439 1045764886 /nfs/dbraw/zinc/76/48/86/1045764886.db2.gz ZJLNDJDOXKXZNR-AUEPDCJTSA-N 0 3 348.784 4.323 20 30 EIEDHN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1nccc2ccccc21 ZINC000792094151 1045862576 /nfs/dbraw/zinc/86/25/76/1045862576.db2.gz DCPZVJOWHMBJMQ-KJPDOMRESA-N 0 3 333.778 4.173 20 30 EIEDHN Cc1c([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000248823509 1045885648 /nfs/dbraw/zinc/88/56/48/1045885648.db2.gz LPNQVYMJJYUTNQ-YSVLISHTSA-N 0 3 326.419 4.053 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCC(c3ccccc3F)CC2)cc1 ZINC000769467410 1045983491 /nfs/dbraw/zinc/98/34/91/1045983491.db2.gz TVVRVUDOBBIQLX-MRXNPFEDSA-N 0 3 338.426 4.496 20 30 EIEDHN Cc1ccccc1CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000078421101 1046047341 /nfs/dbraw/zinc/04/73/41/1046047341.db2.gz CACIMWKORSENNX-UHFFFAOYSA-N 0 3 330.435 4.062 20 30 EIEDHN N#Cc1ccc([C@H](O)CN2CCCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000770000272 1046125414 /nfs/dbraw/zinc/12/54/14/1046125414.db2.gz AVVCPUISESOAML-VQTJNVASSA-N 0 3 340.854 4.472 20 30 EIEDHN COCC1(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)CCC1 ZINC000793124500 1046141329 /nfs/dbraw/zinc/14/13/29/1046141329.db2.gz LBVHYTSUWIRGPI-OAHLLOKOSA-N 0 3 340.448 4.112 20 30 EIEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2cccc(Cl)n2)ccc1[O-] ZINC000793173511 1046162893 /nfs/dbraw/zinc/16/28/93/1046162893.db2.gz AQWQZVSWBIYICF-UHFFFAOYSA-N 0 3 346.862 4.119 20 30 EIEDHN C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000793564674 1046294483 /nfs/dbraw/zinc/29/44/83/1046294483.db2.gz JBAKCLHBPOLXBQ-HOTGVXAUSA-N 0 3 327.476 4.351 20 30 EIEDHN N#CC(C(=O)CCCC(F)(F)F)C(=O)Nc1cccc2ccccc21 ZINC000771262235 1046363495 /nfs/dbraw/zinc/36/34/95/1046363495.db2.gz VRRSZUDJWFQISF-AWEZNQCLSA-N 0 3 348.324 4.220 20 30 EIEDHN C[C@@H](c1ccccc1)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917052565 1046579398 /nfs/dbraw/zinc/57/93/98/1046579398.db2.gz WTSZZENLEQMQPG-HOCLYGCPSA-N 0 3 349.459 4.166 20 30 EIEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCCCCC1 ZINC000917077714 1046660613 /nfs/dbraw/zinc/66/06/13/1046660613.db2.gz QXBKTTXBSWAMQS-OAHLLOKOSA-N 0 3 341.480 4.127 20 30 EIEDHN C[C@@]1(CCc2ccccc2)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000536697114 1046693573 /nfs/dbraw/zinc/69/35/73/1046693573.db2.gz JYRLHYMOEULTEY-JOCHJYFZSA-N 0 3 344.462 4.051 20 30 EIEDHN N#Cc1cc(CN[C@H](c2ccccc2)C2(CO)CCCC2)ccc1F ZINC000459522168 1046752347 /nfs/dbraw/zinc/75/23/47/1046752347.db2.gz GCMVRDBNZVNZOF-HXUWFJFHSA-N 0 3 338.426 4.081 20 30 EIEDHN N#CCSCCCN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459592189 1046803628 /nfs/dbraw/zinc/80/36/28/1046803628.db2.gz MTPUSNNADQKWBP-INIZCTEOSA-N 0 3 348.903 4.390 20 30 EIEDHN COc1ccc([C@@H](C)NCc2ccc(OC)c(C#N)c2)cc1Cl ZINC000746576128 1046824836 /nfs/dbraw/zinc/82/48/36/1046824836.db2.gz LMDPCKZIIIOTJG-GFCCVEGCSA-N 0 3 330.815 4.080 20 30 EIEDHN CSC1(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)CCC1 ZINC000786327109 1046829028 /nfs/dbraw/zinc/82/90/28/1046829028.db2.gz ZDFOSTMWFSXCTK-SNVBAGLBSA-N 0 3 336.869 4.412 20 30 EIEDHN COCc1cc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000787034683 1046896569 /nfs/dbraw/zinc/89/65/69/1046896569.db2.gz TWUZZMGYZMJLLL-XOBRGWDASA-N 0 3 336.435 4.051 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2ccccc2)c1 ZINC000537103289 1046933692 /nfs/dbraw/zinc/93/36/92/1046933692.db2.gz RMPIMCZMPJYFFM-RTBURBONSA-N 0 3 349.478 4.289 20 30 EIEDHN COc1ccc(CNCc2ccc(Cl)c3cccnc23)cc1C#N ZINC000746733839 1047135896 /nfs/dbraw/zinc/13/58/96/1047135896.db2.gz JETBTCKJHOTZHT-UHFFFAOYSA-N 0 3 337.810 4.058 20 30 EIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000806175814 1047162964 /nfs/dbraw/zinc/16/29/64/1047162964.db2.gz FUKZSQXWVURNAQ-QRWLVFNGSA-N 0 3 343.854 4.126 20 30 EIEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455855225 1047244902 /nfs/dbraw/zinc/24/49/02/1047244902.db2.gz CGZRJCPZSUVTFO-UHFFFAOYSA-N 0 3 349.478 4.136 20 30 EIEDHN CCN(CC)Cc1cccc(NCc2ccc(C#N)c(F)c2)c1F ZINC001170096129 1047355537 /nfs/dbraw/zinc/35/55/37/1047355537.db2.gz MPJRTUSBNIKXCX-UHFFFAOYSA-N 0 3 329.394 4.290 20 30 EIEDHN C[C@H](CCc1cccc(C(F)(F)F)c1)NCc1nc(C#N)cs1 ZINC000897629452 1047403146 /nfs/dbraw/zinc/40/31/46/1047403146.db2.gz VLLRMRZFOQYYNN-LLVKDONJSA-N 0 3 339.386 4.144 20 30 EIEDHN CCOc1ccc(O)c(/C=N/C[C@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000746815812 1047426892 /nfs/dbraw/zinc/42/68/92/1047426892.db2.gz NMELCKOCKGZWGH-AGKWGAAGSA-N 0 3 346.858 4.166 20 30 EIEDHN CC[C@@H](N[C@@H](CCC(=O)OC)c1ccccc1)c1ccc(C#N)cc1 ZINC000556078429 1047436107 /nfs/dbraw/zinc/43/61/07/1047436107.db2.gz LQMPEVQAWZEYCD-UXHICEINSA-N 0 3 336.435 4.293 20 30 EIEDHN N#CC(C(=O)CCCOc1ccccc1F)c1ccc2ccccc2n1 ZINC000918480638 1047460611 /nfs/dbraw/zinc/46/06/11/1047460611.db2.gz BJYSOGRRFKKFLL-MRXNPFEDSA-N 0 3 348.377 4.409 20 30 EIEDHN COc1ccccc1[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000609280811 1047479960 /nfs/dbraw/zinc/47/99/60/1047479960.db2.gz PVQRMJYCYGMIJN-LJQANCHMSA-N 0 3 336.435 4.173 20 30 EIEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1cnn(CC2CCC2)c1 ZINC000898181426 1047575826 /nfs/dbraw/zinc/57/58/26/1047575826.db2.gz HFJODSRKRHFAIX-MRXNPFEDSA-N 0 3 334.467 4.089 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2sc3cccc(F)c3c2C)CC1 ZINC000106038452 1047658300 /nfs/dbraw/zinc/65/83/00/1047658300.db2.gz VGMWUCKJFPXLGN-UHFFFAOYSA-N 0 3 346.471 4.119 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(OC(F)(F)F)c1 ZINC000618742196 1047813994 /nfs/dbraw/zinc/81/39/94/1047813994.db2.gz KWNCVAWSXOLTSO-QGZVFWFLSA-N 0 3 332.325 4.234 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCSC(C)(C)C ZINC000155007930 1047860107 /nfs/dbraw/zinc/86/01/07/1047860107.db2.gz OAQNPCDNDMFDQH-ZDUSSCGKSA-N 0 3 329.469 4.061 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc1 ZINC000824716169 1047910259 /nfs/dbraw/zinc/91/02/59/1047910259.db2.gz SRCMMLZMPDJHSA-GZBFAFLISA-N 0 3 326.362 4.140 20 30 EIEDHN C#CCOc1ccc(CNCc2ccc(C(F)(F)F)s2)cc1 ZINC000824926623 1047996286 /nfs/dbraw/zinc/99/62/86/1047996286.db2.gz QAVHEUUVMDRQDF-UHFFFAOYSA-N 0 3 325.355 4.069 20 30 EIEDHN C=CCOc1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000556908380 1048176652 /nfs/dbraw/zinc/17/66/52/1048176652.db2.gz IWFPIJZZYKZQFS-OAQYLSRUSA-N 0 3 337.463 4.245 20 30 EIEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)c1cccc2ccccc21 ZINC000815028167 1048308181 /nfs/dbraw/zinc/30/81/81/1048308181.db2.gz SMRUMXLZWLQZQW-QHCPKHFHSA-N 0 3 342.442 4.433 20 30 EIEDHN C=CC[C@H](C)C(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC001144020899 1048370194 /nfs/dbraw/zinc/37/01/94/1048370194.db2.gz JFBZVRVVDPLPIL-QFBILLFUSA-N 0 3 334.463 4.415 20 30 EIEDHN C#C[C@H](NCc1ccc(OCc2cccs2)c(OC)c1)C(C)C ZINC000809685450 1048474473 /nfs/dbraw/zinc/47/44/73/1048474473.db2.gz UZFATWZVGZOTND-KRWDZBQOSA-N 0 3 329.465 4.083 20 30 EIEDHN C#C[C@@H](CC)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000809686630 1048474595 /nfs/dbraw/zinc/47/45/95/1048474595.db2.gz GEKBOLZGQNQMOH-ZDUSSCGKSA-N 0 3 335.270 4.074 20 30 EIEDHN C=CCSc1nc2ccccc2n1CN1CC[C@@]2(CC2(F)F)C1 ZINC000844756957 1048488510 /nfs/dbraw/zinc/48/85/10/1048488510.db2.gz CVIMUCAMJJKAEB-MRXNPFEDSA-N 0 3 335.423 4.003 20 30 EIEDHN C#C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccncc1)C(C)(C)C ZINC000809781712 1048529986 /nfs/dbraw/zinc/52/99/86/1048529986.db2.gz YQOIMPRKIAMSMV-FQEVSTJZSA-N 0 3 344.462 4.072 20 30 EIEDHN C=C(C)COCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815596002 1048530260 /nfs/dbraw/zinc/53/02/60/1048530260.db2.gz HXCSZPZERNMWDS-FQEVSTJZSA-N 0 3 325.452 4.248 20 30 EIEDHN C#C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccncc1)C(C)(C)C ZINC000809781713 1048530662 /nfs/dbraw/zinc/53/06/62/1048530662.db2.gz YQOIMPRKIAMSMV-HXUWFJFHSA-N 0 3 344.462 4.072 20 30 EIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(Br)nc2)cc1 ZINC000810241315 1048723885 /nfs/dbraw/zinc/72/38/85/1048723885.db2.gz RJVVMGJEZLLQDQ-CYBMUJFWSA-N 0 3 347.256 4.260 20 30 EIEDHN COc1cc(CN[C@@H](C)c2cc(C)c(OC)c(Cl)c2)ccc1C#N ZINC000810251438 1048729039 /nfs/dbraw/zinc/72/90/39/1048729039.db2.gz SCIOVZQSFASDDO-ZDUSSCGKSA-N 0 3 344.842 4.388 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H](c1ncccc1Cl)C1CC1 ZINC001171201099 1048753267 /nfs/dbraw/zinc/75/32/67/1048753267.db2.gz HWVUKGUROLNTMF-ACJLOTCBSA-N 0 3 325.843 4.279 20 30 EIEDHN CC1CCN([C@@H](C/N=C\c2cccc(O)c2O)c2cccs2)CC1 ZINC000920944078 1048818032 /nfs/dbraw/zinc/81/80/32/1048818032.db2.gz ORYUMWBNRUICFP-DEFALTHMSA-N 0 3 344.480 4.051 20 30 EIEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000218034530 1048837135 /nfs/dbraw/zinc/83/71/35/1048837135.db2.gz ZSEZFNQRSCHRJM-WMLDXEAASA-N 0 3 347.890 4.112 20 30 EIEDHN O[C@H](C[C@H]1CCCCCN1CC#Cc1ccc(F)cc1)c1ccco1 ZINC000747660873 1048899483 /nfs/dbraw/zinc/89/94/83/1048899483.db2.gz WGISLZMUVFTUKR-WOJBJXKFSA-N 0 3 341.426 4.139 20 30 EIEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCOc3c(CC)cccc32)cc1 ZINC000772960044 1048996187 /nfs/dbraw/zinc/99/61/87/1048996187.db2.gz QFZVJKHFLDTZJX-HRAATJIYSA-N 0 3 335.447 4.435 20 30 EIEDHN C=CCN1CCC(Nc2ccc3ccc(Br)cc3n2)CC1 ZINC000811802488 1049271597 /nfs/dbraw/zinc/27/15/97/1049271597.db2.gz BZXRBQIZECRMRX-UHFFFAOYSA-N 0 3 346.272 4.060 20 30 EIEDHN COc1ccc(CN[C@H]2CCCc3ccc(Cl)cc32)cc1C#N ZINC000773078327 1049568161 /nfs/dbraw/zinc/56/81/61/1049568161.db2.gz WAKFQJZTQDWIQI-SFHVURJKSA-N 0 3 326.827 4.387 20 30 EIEDHN CCN(CCc1ccc(C(F)(F)F)cc1)Cc1cc(C#N)ccn1 ZINC001171399261 1049615688 /nfs/dbraw/zinc/61/56/88/1049615688.db2.gz CHRDSBDVVKCXAF-UHFFFAOYSA-N 0 3 333.357 4.037 20 30 EIEDHN N#CC1(c2ccccc2)CCN([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171423060 1049661435 /nfs/dbraw/zinc/66/14/35/1049661435.db2.gz XDINIZYHVZOZCJ-IBGZPJMESA-N 0 3 334.438 4.240 20 30 EIEDHN N#Cc1cccc(OCCN2CCC(c3cccc(F)c3F)CC2)c1 ZINC001171533237 1049734886 /nfs/dbraw/zinc/73/48/86/1049734886.db2.gz RVKHXHHBKVRQHB-UHFFFAOYSA-N 0 3 342.389 4.095 20 30 EIEDHN CC(C)c1ccc2c(c1)CN(CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC001171820042 1049802840 /nfs/dbraw/zinc/80/28/40/1049802840.db2.gz KOPJONSUNPZCSY-UHFFFAOYSA-N 0 3 347.462 4.069 20 30 EIEDHN CC[C@@H](C)N(CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC001171917018 1049819278 /nfs/dbraw/zinc/81/92/78/1049819278.db2.gz SCGWQWWHUNQNML-CQSZACIVSA-N 0 3 344.503 4.151 20 30 EIEDHN N#CC1(c2ccccc2)CCN([C@@H]2CSc3ccccc3C2)CC1 ZINC001172195158 1049868575 /nfs/dbraw/zinc/86/85/75/1049868575.db2.gz ZLOMSRAVOZLGRM-IBGZPJMESA-N 0 3 334.488 4.261 20 30 EIEDHN N#CC1(c2ccccc2)CCN([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172718076 1049963830 /nfs/dbraw/zinc/96/38/30/1049963830.db2.gz FVOFGRRQLJMHEQ-HXUWFJFHSA-N 0 3 336.866 4.365 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C2CCCCCC2)c1 ZINC000247967131 1050038598 /nfs/dbraw/zinc/03/85/98/1050038598.db2.gz SRIDWUOIXGMCMU-UHFFFAOYSA-N 0 3 341.499 4.205 20 30 EIEDHN N#Cc1ccc(Br)c(CNCCCc2cccc(F)c2)c1 ZINC001177683319 1050276219 /nfs/dbraw/zinc/27/62/19/1050276219.db2.gz ADJIUMJAQWUXEH-UHFFFAOYSA-N 0 3 347.231 4.182 20 30 EIEDHN Cc1cc(Br)cc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000775001858 1050289009 /nfs/dbraw/zinc/28/90/09/1050289009.db2.gz QLTGPAQDNZKUKI-ZDUSSCGKSA-N 0 3 329.241 4.480 20 30 EIEDHN CC[C@H](N[C@H](Cn1cccn1)c1ccccc1)c1ccc(C#N)cc1 ZINC000618569069 1050419101 /nfs/dbraw/zinc/41/91/01/1050419101.db2.gz CZNKROVZTAXGFQ-LEWJYISDSA-N 0 3 330.435 4.237 20 30 EIEDHN C=CCOc1ccc(CN[C@@H]2CCCc3nc(C)sc32)cc1OC ZINC001178285178 1050428541 /nfs/dbraw/zinc/42/85/41/1050428541.db2.gz MHNQRHLFBVOXJO-OAHLLOKOSA-N 0 3 344.480 4.192 20 30 EIEDHN C=C(C)[C@@H](NCCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC000775071450 1050463303 /nfs/dbraw/zinc/46/33/03/1050463303.db2.gz AIOFZXIFYWKUIE-MRXNPFEDSA-N 0 3 340.414 4.086 20 30 EIEDHN C=C(C)COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000618741213 1050501487 /nfs/dbraw/zinc/50/14/87/1050501487.db2.gz BVFJZXBHOWOSHG-HXUWFJFHSA-N 0 3 348.446 4.299 20 30 EIEDHN COc1ccc(O)c([C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000182393705 1050640021 /nfs/dbraw/zinc/64/00/21/1050640021.db2.gz CHFNYSPNQJBRIO-CYBMUJFWSA-N 0 3 349.352 4.122 20 30 EIEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)cc1OC(F)(F)F ZINC001173929942 1050650530 /nfs/dbraw/zinc/65/05/30/1050650530.db2.gz NAGXOJDXHCNCCP-UHFFFAOYSA-N 0 3 335.329 4.262 20 30 EIEDHN CN(C)Cc1ccccc1Nc1cc(C#N)c(F)cc1Br ZINC001173932060 1050651813 /nfs/dbraw/zinc/65/18/13/1050651813.db2.gz NCYHGCFSLWJCLC-UHFFFAOYSA-N 0 3 348.219 4.265 20 30 EIEDHN CN(C)c1ccc(C#N)cc1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC001179343033 1050679534 /nfs/dbraw/zinc/67/95/34/1050679534.db2.gz AXKIQXXKVXZTTF-GOSISDBHSA-N 0 3 325.843 4.055 20 30 EIEDHN C#CCC[C@H](O)CNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC001179488913 1050703970 /nfs/dbraw/zinc/70/39/70/1050703970.db2.gz ADRGWDGHDQMIER-ZDUSSCGKSA-N 0 3 338.234 4.117 20 30 EIEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508420 1050797384 /nfs/dbraw/zinc/79/73/84/1050797384.db2.gz PXNVISQKOOVRCA-SFTDATJTSA-N 0 3 348.446 4.448 20 30 EIEDHN N#Cc1ccc(NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000619511206 1050799646 /nfs/dbraw/zinc/79/96/46/1050799646.db2.gz ZUTKHQUTMVUSMB-IBGZPJMESA-N 0 3 325.843 4.461 20 30 EIEDHN CC1(c2cccc(Cl)c2)CCN(Cc2ccnc(C#N)c2)CC1 ZINC000619516697 1050808098 /nfs/dbraw/zinc/80/80/98/1050808098.db2.gz SEJLEJDYDMQNKD-UHFFFAOYSA-N 0 3 325.843 4.160 20 30 EIEDHN C#Cc1cccc(NC(=O)CN(C)[C@@H]2CC[C@@](C)(c3ccccc3)C2)c1 ZINC001180161477 1050904126 /nfs/dbraw/zinc/90/41/26/1050904126.db2.gz FCLLYXHQVBCSDD-FYYLOGMGSA-N 0 3 346.474 4.049 20 30 EIEDHN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cnccc2N(C)C)c1 ZINC001189251660 1050937876 /nfs/dbraw/zinc/93/78/76/1050937876.db2.gz BLVWKYZMCMRGKO-UHFFFAOYSA-N 0 3 338.455 4.238 20 30 EIEDHN C=C(C)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC001190232216 1051134460 /nfs/dbraw/zinc/13/44/60/1051134460.db2.gz WEISNYLUWIYTQL-QFIPXVFZSA-N 0 3 348.490 4.372 20 30 EIEDHN CC[C@](C)(NCC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000775389501 1051191422 /nfs/dbraw/zinc/19/14/22/1051191422.db2.gz GAXAUIFUKHPPLX-IBGZPJMESA-N 0 3 341.480 4.090 20 30 EIEDHN C#CCN(C[C@@H](O)c1ccc(F)cc1Cl)[C@H]1CCc2ccccc21 ZINC001190528961 1051206137 /nfs/dbraw/zinc/20/61/37/1051206137.db2.gz OXMOWMLLRHFBRD-VQTJNVASSA-N 0 3 343.829 4.135 20 30 EIEDHN COCCN(Cc1cc(Cl)cc(C#N)c1)[C@H](C)c1ccccc1 ZINC001190635282 1051241751 /nfs/dbraw/zinc/24/17/51/1051241751.db2.gz HHXYYNKLEYNTFM-OAHLLOKOSA-N 0 3 328.843 4.421 20 30 EIEDHN CC[C@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000774169583 1051490711 /nfs/dbraw/zinc/49/07/11/1051490711.db2.gz SJWLMRXUZQQTSW-ZWKOTPCHSA-N 0 3 348.368 4.049 20 30 EIEDHN N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2CC2CC2)cc1 ZINC001182557184 1051628839 /nfs/dbraw/zinc/62/88/39/1051628839.db2.gz DGWMSJUKUAJJCG-NRFANRHFSA-N 0 3 345.446 4.038 20 30 EIEDHN C#C[C@H]1CCCN(C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C1 ZINC001182603941 1051656885 /nfs/dbraw/zinc/65/68/85/1051656885.db2.gz BUMFILOFUQZLEH-DLBZAZTESA-N 0 3 336.520 4.051 20 30 EIEDHN CCc1cccc2cc(CN(C)C[C@H](O)c3cccc(C#N)c3)oc21 ZINC001182763346 1051685668 /nfs/dbraw/zinc/68/56/68/1051685668.db2.gz CYNHYJWTFGVVOX-FQEVSTJZSA-N 0 3 334.419 4.032 20 30 EIEDHN N#Cc1ccc(CN(CCOc2ccc(F)cc2Cl)C2CC2)cc1 ZINC001192489134 1051756595 /nfs/dbraw/zinc/75/65/95/1051756595.db2.gz BKYRMLZFYJPRLT-UHFFFAOYSA-N 0 3 344.817 4.394 20 30 EIEDHN C=CCN1CC[C@@H](NC2(c3ccc(C(C)(C)C)cc3)CCCC2)C1=O ZINC001192585574 1051770465 /nfs/dbraw/zinc/77/04/65/1051770465.db2.gz WTGXUZNHKPCZEC-LJQANCHMSA-N 0 3 340.511 4.130 20 30 EIEDHN C=CCC1(O)CCN(Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC001183898985 1051919068 /nfs/dbraw/zinc/91/90/68/1051919068.db2.gz SHOHBAZZVMVBDJ-UHFFFAOYSA-N 0 3 337.463 4.265 20 30 EIEDHN C=CCC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000158851066 1052014560 /nfs/dbraw/zinc/01/45/60/1052014560.db2.gz WPRCYRPFVIGIRL-KRWDZBQOSA-N 0 3 326.396 4.401 20 30 EIEDHN C[C@]12CN(Cc3cc(C#N)ccc3Br)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001176618077 1052142238 /nfs/dbraw/zinc/14/22/38/1052142238.db2.gz BVXIYTGRCZTZPQ-JXSMBQFASA-N 0 3 345.284 4.189 20 30 EIEDHN C=CCC[C@H]1CCCN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001176771612 1052194883 /nfs/dbraw/zinc/19/48/83/1052194883.db2.gz NZPVXDPFKGSLIR-KRWDZBQOSA-N 0 3 339.458 4.431 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000171738782 1052445926 /nfs/dbraw/zinc/44/59/26/1052445926.db2.gz WATIRIURVNTDQZ-UHFFFAOYSA-N 0 3 347.462 4.030 20 30 EIEDHN C#CCCOc1ccc(CNC2(c3cccc(OC)c3)CCC2)cc1 ZINC000850405600 1053175013 /nfs/dbraw/zinc/17/50/13/1053175013.db2.gz WNFYHQHBYSXLGV-UHFFFAOYSA-N 0 3 335.447 4.266 20 30 EIEDHN CCC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000794834139 1053452570 /nfs/dbraw/zinc/45/25/70/1053452570.db2.gz XMNDVHLNNQEDEK-VOBQZIQPSA-N 0 3 326.415 4.250 20 30 EIEDHN Cc1ccc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)n1C ZINC000338941967 1053549971 /nfs/dbraw/zinc/54/99/71/1053549971.db2.gz NJSZOCRJCCIHAO-NSHDSACASA-N 0 3 329.812 4.087 20 30 EIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc2sc(C)c(C)c2c(N)n1 ZINC001196056505 1053563184 /nfs/dbraw/zinc/56/31/84/1053563184.db2.gz KUDGSCPPGUUJRO-ZIAGYGMSSA-N 0 3 330.501 4.115 20 30 EIEDHN COc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1OC(F)F ZINC000921518648 1053571942 /nfs/dbraw/zinc/57/19/42/1053571942.db2.gz JRNWGIFZIOMRTG-UHFFFAOYSA-N 0 3 346.377 4.075 20 30 EIEDHN C=C(C)[C@H](NC[C@H](O)c1ccc(F)cc1C)c1ccc(F)c(F)c1 ZINC000775726239 1053694166 /nfs/dbraw/zinc/69/41/66/1053694166.db2.gz ZSFDYCUQMGMZBY-OALUTQOASA-N 0 3 335.369 4.353 20 30 EIEDHN C=C(C)[C@@H](NC[C@H](O)c1ccc(F)cc1C)c1ccc(F)c(F)c1 ZINC000775726240 1053694178 /nfs/dbraw/zinc/69/41/78/1053694178.db2.gz ZSFDYCUQMGMZBY-RBUKOAKNSA-N 0 3 335.369 4.353 20 30 EIEDHN C[C@H]1CCCC[C@@H]1OCCN1CCC(Nc2ccccc2C#N)CC1 ZINC001196535362 1053696315 /nfs/dbraw/zinc/69/63/15/1053696315.db2.gz KVDNGJTZOIGLTR-UWJYYQICSA-N 0 3 341.499 4.030 20 30 EIEDHN C[C@H](CCC#N)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000854109465 1053756245 /nfs/dbraw/zinc/75/62/45/1053756245.db2.gz XWPVQDCHYBOIOC-OAHLLOKOSA-N 0 3 338.430 4.154 20 30 EIEDHN C[C@@H](CCC#N)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000854109464 1053756941 /nfs/dbraw/zinc/75/69/41/1053756941.db2.gz XWPVQDCHYBOIOC-HNNXBMFYSA-N 0 3 338.430 4.154 20 30 EIEDHN CC(C)CCOC1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000121610573 1053827669 /nfs/dbraw/zinc/82/76/69/1053827669.db2.gz ILEJIYFWFFBLPO-KRWDZBQOSA-N 0 3 330.472 4.005 20 30 EIEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000121672716 1053835654 /nfs/dbraw/zinc/83/56/54/1053835654.db2.gz NDEHXLREUBSAPA-LPHOPBHVSA-N 0 3 340.467 4.037 20 30 EIEDHN CC[C@H](C)C(=O)Nc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921569493 1053893904 /nfs/dbraw/zinc/89/39/04/1053893904.db2.gz DSYQGYZZROGHBD-HNNXBMFYSA-N 0 3 349.478 4.450 20 30 EIEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000113315386 1053918217 /nfs/dbraw/zinc/91/82/17/1053918217.db2.gz BHCXELWMTONJGS-OAHLLOKOSA-N 0 3 327.399 4.087 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(C)c(C)c2)ccc1OC ZINC000113348053 1053923571 /nfs/dbraw/zinc/92/35/71/1053923571.db2.gz IBVCRDAVTNIMKR-LJQANCHMSA-N 0 3 338.451 4.283 20 30 EIEDHN CC(C)(C(=O)C(C#N)c1nc2cc(F)ccc2s1)[C@H]1CCCCO1 ZINC000870195604 1054070530 /nfs/dbraw/zinc/07/05/30/1054070530.db2.gz LOEVHPOVFJLYQU-SWLSCSKDSA-N 0 3 346.427 4.207 20 30 EIEDHN CCS[C@@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)C(C)C ZINC000114619319 1054115027 /nfs/dbraw/zinc/11/50/27/1054115027.db2.gz KAUOYUHVBDWUJI-CZUORRHYSA-N 0 3 345.493 4.159 20 30 EIEDHN CC(C)(C#N)c1ccccc1CN1CCO[C@H](c2ccccc2)CC1 ZINC001198705814 1054240983 /nfs/dbraw/zinc/24/09/83/1054240983.db2.gz MFNWXCODJAPNAV-NRFANRHFSA-N 0 3 334.463 4.451 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCCc1c[nH]c2ccccc12 ZINC001198981105 1054318737 /nfs/dbraw/zinc/31/87/37/1054318737.db2.gz WDJRMNPYTQRYHD-UHFFFAOYSA-N 0 3 338.838 4.166 20 30 EIEDHN COc1cc2c(cc1OC)[C@H](NCc1ccc(C#N)cc1)CCCC2 ZINC000872026270 1054340255 /nfs/dbraw/zinc/34/02/55/1054340255.db2.gz ZYYICZBKQXNMGZ-LJQANCHMSA-N 0 3 336.435 4.133 20 30 EIEDHN N#CCc1ccc(CN2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858023560 1054403170 /nfs/dbraw/zinc/40/31/70/1054403170.db2.gz OZDYLVRYCYNYBN-NRFANRHFSA-N 0 3 347.462 4.068 20 30 EIEDHN C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(OCC#N)cc1 ZINC000872130158 1054406209 /nfs/dbraw/zinc/40/62/09/1054406209.db2.gz FNDNKFZRNMYBAF-STQMWFEESA-N 0 3 349.356 4.415 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000858320837 1054464321 /nfs/dbraw/zinc/46/43/21/1054464321.db2.gz KBCIWOUGUIGHGH-ORAYPTAESA-N 0 3 326.827 4.408 20 30 EIEDHN N#Cc1cccc(C2CCN(Cc3ccc(N4CCCC4)o3)CC2)c1 ZINC001137067800 1054481209 /nfs/dbraw/zinc/48/12/09/1054481209.db2.gz JDDKXTJLINNMFV-UHFFFAOYSA-N 0 3 335.451 4.131 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCCC1CCC(OC)CC1 ZINC001201919581 1054951007 /nfs/dbraw/zinc/95/10/07/1054951007.db2.gz GSYAWVPFGXRMMU-UHFFFAOYSA-N 0 3 335.875 4.037 20 30 EIEDHN CC(C)(CF)NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC001202066144 1055007119 /nfs/dbraw/zinc/00/71/19/1055007119.db2.gz MRGKMBDEEFSOMA-NSHDSACASA-N 0 3 347.274 4.396 20 30 EIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2ccc(OC)nc2)cc1 ZINC000126481904 1055042639 /nfs/dbraw/zinc/04/26/39/1055042639.db2.gz WIANLGHLMDKZFF-AWEZNQCLSA-N 0 3 332.831 4.072 20 30 EIEDHN CCS[C@@H]1CC[C@@H](N(C)CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878151402 1055195738 /nfs/dbraw/zinc/19/57/38/1055195738.db2.gz QHCJYSNRFIZWDF-AQNXPRMDSA-N 0 3 344.524 4.033 20 30 EIEDHN N#Cc1cnc2ccccc2c1NC[C@H](c1ccco1)N1CCCCC1 ZINC000301330478 1055920867 /nfs/dbraw/zinc/92/08/67/1055920867.db2.gz DIURJJGIWALIGS-LJQANCHMSA-N 0 3 346.434 4.339 20 30 EIEDHN N#Cc1cc(F)c(N[C@@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000301340598 1055924593 /nfs/dbraw/zinc/92/45/93/1055924593.db2.gz IFHPYYJNZOJHES-SFHVURJKSA-N 0 3 327.378 4.085 20 30 EIEDHN C[C@H](CNc1ccc2cc(C#N)ccc2n1)N1CCc2sccc2C1 ZINC000301991774 1056006701 /nfs/dbraw/zinc/00/67/01/1056006701.db2.gz YMZDHXOXRIESNE-CQSZACIVSA-N 0 3 348.475 4.027 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000302135771 1056022261 /nfs/dbraw/zinc/02/22/61/1056022261.db2.gz ZYYSKDHKJXYLRW-KKSFZXQISA-N 0 3 347.462 4.083 20 30 EIEDHN N#CCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000302817813 1056074788 /nfs/dbraw/zinc/07/47/88/1056074788.db2.gz YYCOEQQKPOATKO-UHFFFAOYSA-N 0 3 333.479 4.087 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000304224028 1056391471 /nfs/dbraw/zinc/39/14/71/1056391471.db2.gz FVQWDLLPWFFFKD-QVKFZJNVSA-N 0 3 338.426 4.204 20 30 EIEDHN C[C@@H]1CCc2c(C(=O)C(C#N)c3nc4ccccc4[nH]3)csc2C1 ZINC000072591287 1056431595 /nfs/dbraw/zinc/43/15/95/1056431595.db2.gz XZYMQJQEQNHTSI-DGCLKSJQSA-N 0 3 335.432 4.239 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2ccsc2)cc1OCCCC#N ZINC000619747858 1056552722 /nfs/dbraw/zinc/55/27/22/1056552722.db2.gz KKCBHKZGIWPYDB-AWEZNQCLSA-N 0 3 330.453 4.290 20 30 EIEDHN CCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934032 1056799976 /nfs/dbraw/zinc/79/99/76/1056799976.db2.gz GSULRMJXVNDFQF-IAGOWNOFSA-N 0 3 349.478 4.181 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3c[nH]c4c3cccc4C)nc21 ZINC000741442654 1058216445 /nfs/dbraw/zinc/21/64/45/1058216445.db2.gz MSJLLDUUQCGTMJ-MRXNPFEDSA-N 0 3 342.402 4.080 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C)(C)c1ccccc1 ZINC000743441043 1059009454 /nfs/dbraw/zinc/00/94/54/1059009454.db2.gz DQYNUPRGVJAYLH-INIZCTEOSA-N 0 3 331.419 4.117 20 30 EIEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000744062730 1059255885 /nfs/dbraw/zinc/25/58/85/1059255885.db2.gz JXGMVUAZTLNLFP-TZMCWYRMSA-N 0 3 337.404 4.087 20 30 EIEDHN CCSCC[C@@H](C)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000744426221 1059484599 /nfs/dbraw/zinc/48/45/99/1059484599.db2.gz ILXAYXVAHYPZDA-CYBMUJFWSA-N 0 3 326.893 4.206 20 30 EIEDHN C#CCCN(Cc1ccccc1)Cc1ccc(Br)cc1 ZINC001168826427 1060436864 /nfs/dbraw/zinc/43/68/64/1060436864.db2.gz TZQVBCUOVRUESH-UHFFFAOYSA-N 0 3 328.253 4.475 20 30 EIEDHN C=C(CC)CN[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001169270663 1060755830 /nfs/dbraw/zinc/75/58/30/1060755830.db2.gz JCJRJRUCRXASPV-WMZOPIPTSA-N 0 3 338.854 4.085 20 30 EIEDHN N#Cc1csc(CN2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000536633331 1032100646 /nfs/dbraw/zinc/10/06/46/1032100646.db2.gz VXBLINOAYDEFER-UHFFFAOYSA-N 0 3 326.465 4.170 20 30 EIEDHN CC(C)[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000610250188 1032420474 /nfs/dbraw/zinc/42/04/74/1032420474.db2.gz IVJPONMQWNIEDO-GHTZIAJQSA-N 0 3 349.478 4.309 20 30 EIEDHN N#Cc1ccc(OC2CCN(CCCC(=O)c3ccccc3)CC2)cc1 ZINC000450354024 1032450686 /nfs/dbraw/zinc/45/06/86/1032450686.db2.gz ISUPBJIOGHMRDY-UHFFFAOYSA-N 0 3 348.446 4.065 20 30 EIEDHN N#Cc1cccc(OC2CCN(CCCC(=O)c3ccccc3)CC2)c1 ZINC000450357779 1032452391 /nfs/dbraw/zinc/45/23/91/1032452391.db2.gz NOBAHRGZWNHGOA-UHFFFAOYSA-N 0 3 348.446 4.065 20 30 EIEDHN CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)C(C)C ZINC000533256566 1032567981 /nfs/dbraw/zinc/56/79/81/1032567981.db2.gz SDRYIXQZKZJBOC-CVEARBPZSA-N 0 3 347.528 4.243 20 30 EIEDHN CC1(C)CN(CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]2CCC[C@@H]21 ZINC000339709583 1019838459 /nfs/dbraw/zinc/83/84/59/1019838459.db2.gz DWEPXUOUIWAXAI-ICSRJNTNSA-N 0 3 349.478 4.248 20 30 EIEDHN N#CC1(CCCN2CC=C(c3ccccc3F)CC2)CCOCC1 ZINC000375600048 1019861156 /nfs/dbraw/zinc/86/11/56/1019861156.db2.gz WRLPKFZKGMBPGF-UHFFFAOYSA-N 0 3 328.431 4.015 20 30 EIEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccccc1 ZINC000728914912 1032860813 /nfs/dbraw/zinc/86/08/13/1032860813.db2.gz ZIZWPSSEPKPKOP-INIZCTEOSA-N 0 3 349.459 4.388 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000237506391 1032867923 /nfs/dbraw/zinc/86/79/23/1032867923.db2.gz JIBKYYPMMYZWJN-UGSOOPFHSA-N 0 3 342.439 4.443 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000237580678 1032871957 /nfs/dbraw/zinc/87/19/57/1032871957.db2.gz LSKBBYAKVTUAFQ-KGLIPLIRSA-N 0 3 346.377 4.430 20 30 EIEDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000180248382 1020085524 /nfs/dbraw/zinc/08/55/24/1020085524.db2.gz FWXQGKRQZIYEKJ-AOMKIAJQSA-N 0 3 342.446 4.152 20 30 EIEDHN CN(C)c1ccccc1CN(C)Cc1cccc(OCCCC#N)c1 ZINC000579893086 1020512185 /nfs/dbraw/zinc/51/21/85/1020512185.db2.gz QTBQCVCHHQJQRL-UHFFFAOYSA-N 0 3 337.467 4.067 20 30 EIEDHN C=CCCCCCN1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001167226963 1020602931 /nfs/dbraw/zinc/60/29/31/1020602931.db2.gz FCQSWNASPPBTGE-UHFFFAOYSA-N 0 3 335.561 4.305 20 30 EIEDHN CC[C@H](NCC#Cc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000510252377 1020668432 /nfs/dbraw/zinc/66/84/32/1020668432.db2.gz JIESDWDCBIVVNF-SFHVURJKSA-N 0 3 343.854 4.450 20 30 EIEDHN C=CC[C@H]1N(Cc2csc(-c3cnn(C)c3)n2)CCCC1(C)C ZINC000683528198 1020863682 /nfs/dbraw/zinc/86/36/82/1020863682.db2.gz XXXMTQWWFGJRNN-MRXNPFEDSA-N 0 3 330.501 4.110 20 30 EIEDHN N#CC(C(=O)C=Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000255067059 1020874156 /nfs/dbraw/zinc/87/41/56/1020874156.db2.gz HHBZEWWGVNFBOG-IWMPZKFUSA-N 0 3 337.329 4.321 20 30 EIEDHN Cc1cc(Br)ccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000177112471 1020954399 /nfs/dbraw/zinc/95/43/99/1020954399.db2.gz HBHTUWOCWIOHGP-CYBMUJFWSA-N 0 3 329.241 4.480 20 30 EIEDHN Cc1c(CN2CCSCC2)cccc1N[C@H](C)CC(C)(C)C#N ZINC000926077930 1021399546 /nfs/dbraw/zinc/39/95/46/1021399546.db2.gz SERCCCJXVABOCZ-OAHLLOKOSA-N 0 3 331.529 4.284 20 30 EIEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000177683339 1021434300 /nfs/dbraw/zinc/43/43/00/1021434300.db2.gz UUYHABQXLWNMHX-JTQLQIEISA-N 0 3 326.343 4.369 20 30 EIEDHN N#Cc1ccc([C@H](O)CN[C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000177743863 1021632401 /nfs/dbraw/zinc/63/24/01/1021632401.db2.gz DGCXZWCTGNKNPP-FGZHOGPDSA-N 0 3 346.405 4.110 20 30 EIEDHN CN1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@@H]1c1ccccc1 ZINC000613430905 1022013191 /nfs/dbraw/zinc/01/31/91/1022013191.db2.gz HXOBHTQIGOWVSS-MJGOQNOKSA-N 0 3 334.467 4.108 20 30 EIEDHN Cc1c([C@@H](C)NCC(C)(C)CC#N)cnn1-c1cccc(Cl)c1 ZINC000414168109 1022015596 /nfs/dbraw/zinc/01/55/96/1022015596.db2.gz QGVMUSMKXKOMFN-CYBMUJFWSA-N 0 3 330.863 4.425 20 30 EIEDHN C=CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC001167406766 1022066893 /nfs/dbraw/zinc/06/68/93/1022066893.db2.gz VSXNIEXHTKYPKH-IAGOWNOFSA-N 0 3 336.479 4.304 20 30 EIEDHN C=CC1CCN(Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC001167406987 1022069636 /nfs/dbraw/zinc/06/96/36/1022069636.db2.gz ZJZIKJCYGLCKBV-UHFFFAOYSA-N 0 3 326.415 4.198 20 30 EIEDHN N#CC(=C([O-])c1cc2c(s1)-c1ccccc1CC2)c1ccccn1 ZINC000046706009 1022253943 /nfs/dbraw/zinc/25/39/43/1022253943.db2.gz GHPVHBIWDJXLTR-INIZCTEOSA-N 0 3 330.412 4.399 20 30 EIEDHN N#CC(C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccccn1 ZINC000046706009 1022253968 /nfs/dbraw/zinc/25/39/68/1022253968.db2.gz GHPVHBIWDJXLTR-INIZCTEOSA-N 0 3 330.412 4.399 20 30 EIEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000341294308 1022377213 /nfs/dbraw/zinc/37/72/13/1022377213.db2.gz RSEUAHUJINWJBH-SCLBCKFNSA-N 0 3 341.842 4.280 20 30 EIEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000378106789 1022379570 /nfs/dbraw/zinc/37/95/70/1022379570.db2.gz ZKQZMXVWICRYAX-PKOBYXMFSA-N 0 3 346.902 4.217 20 30 EIEDHN N#Cc1ccc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)s1 ZINC000180620759 1022752703 /nfs/dbraw/zinc/75/27/03/1022752703.db2.gz SRXYCCRLAWDOIW-RHSMWYFYSA-N 0 3 330.453 4.081 20 30 EIEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000162278445 1022970279 /nfs/dbraw/zinc/97/02/79/1022970279.db2.gz DEIGHYAJHUXESQ-LSDHHAIUSA-N 0 3 327.399 4.258 20 30 EIEDHN CC(C)OCCCN[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376843206 1023322156 /nfs/dbraw/zinc/32/21/56/1023322156.db2.gz OWWWKTNIMSVEOI-AWEZNQCLSA-N 0 3 329.469 4.147 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000123023704 1023436943 /nfs/dbraw/zinc/43/69/43/1023436943.db2.gz DTDCLMLHEKFVIW-RWMBFGLXSA-N 0 3 349.356 4.118 20 30 EIEDHN CC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000341278611 1023497861 /nfs/dbraw/zinc/49/78/61/1023497861.db2.gz FVXCKVYIDIVYSL-KRWDZBQOSA-N 0 3 347.890 4.066 20 30 EIEDHN Cc1ccc(C(=O)C2CCN(CCc3ccc(C#N)cc3)CC2)cc1 ZINC000659848353 1023614861 /nfs/dbraw/zinc/61/48/61/1023614861.db2.gz CHZUZTJRCDBOCH-UHFFFAOYSA-N 0 3 332.447 4.004 20 30 EIEDHN COc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)ccc1C ZINC000430644061 1023622518 /nfs/dbraw/zinc/62/25/18/1023622518.db2.gz SVJXVDQQNBBRRL-CYBMUJFWSA-N 0 3 328.437 4.248 20 30 EIEDHN Cc1ccc2[nH]c([C@H]3CCCN(Cc4ccc(C#N)s4)C3)nc2c1 ZINC000584299258 1023686622 /nfs/dbraw/zinc/68/66/22/1023686622.db2.gz DRIMHUGIIWYTLI-AWEZNQCLSA-N 0 3 336.464 4.184 20 30 EIEDHN Cc1ccc2nc([C@H]3CCCN(Cc4ccc(C#N)s4)C3)[nH]c2c1 ZINC000584299258 1023686628 /nfs/dbraw/zinc/68/66/28/1023686628.db2.gz DRIMHUGIIWYTLI-AWEZNQCLSA-N 0 3 336.464 4.184 20 30 EIEDHN Cc1[nH]c2ccc(CNCc3ccc(O[C@@H](C)C#N)cc3)cc2c1C ZINC000728712190 1023758740 /nfs/dbraw/zinc/75/87/40/1023758740.db2.gz YHKQVNDKWAPKTL-AWEZNQCLSA-N 0 3 333.435 4.365 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(C#N)c1 ZINC000178177937 1023780877 /nfs/dbraw/zinc/78/08/77/1023780877.db2.gz WGBXYXVSHRPQFY-CVEARBPZSA-N 0 3 333.435 4.097 20 30 EIEDHN CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(C)c(C#N)c1)CCC2 ZINC001167767596 1023885429 /nfs/dbraw/zinc/88/54/29/1023885429.db2.gz YBMOZHWWMTWMBE-KRWDZBQOSA-N 0 3 325.481 4.395 20 30 EIEDHN Fc1cc(F)c(CNC2CCC(C(F)(F)F)CC2)c(F)c1F ZINC000430725702 1023989080 /nfs/dbraw/zinc/98/90/80/1023989080.db2.gz RUKSCOVGWDUKQI-UHFFFAOYSA-N 0 3 329.259 4.454 20 30 EIEDHN Cc1c([C@H](C)NCC2(CC#N)CC2)cnn1-c1cccc(Cl)c1 ZINC000430759654 1024016883 /nfs/dbraw/zinc/01/68/83/1024016883.db2.gz HATUUDVBDCCZRG-ZDUSSCGKSA-N 0 3 328.847 4.179 20 30 EIEDHN CCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCC1 ZINC000610660791 1024425979 /nfs/dbraw/zinc/42/59/79/1024425979.db2.gz SZHUEUNHZHSVIN-UHFFFAOYSA-N 0 3 347.890 4.241 20 30 EIEDHN COc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341758856 1024616231 /nfs/dbraw/zinc/61/62/31/1024616231.db2.gz DTUVMFIDNVOONG-AUUYWEPGSA-N 0 3 336.435 4.304 20 30 EIEDHN CC(C)c1ccc([C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(C)C)cc1 ZINC000510923211 1024824171 /nfs/dbraw/zinc/82/41/71/1024824171.db2.gz XAALQDHTKBUWEX-NHCUHLMSSA-N 0 3 343.515 4.151 20 30 EIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000662079706 1024849689 /nfs/dbraw/zinc/84/96/89/1024849689.db2.gz LOTBVYGRJKVCOT-CWRNSKLLSA-N 0 3 327.403 4.428 20 30 EIEDHN C[C@@H](CC(C)(C)C#N)NCc1ccnc(Oc2ccccc2F)c1 ZINC000926309381 1024951155 /nfs/dbraw/zinc/95/11/55/1024951155.db2.gz ATSKXSGPMPFPJW-AWEZNQCLSA-N 0 3 327.403 4.431 20 30 EIEDHN C=CCC[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000341922902 1024994618 /nfs/dbraw/zinc/99/46/18/1024994618.db2.gz BAYXEFUYKXLQHP-NRFANRHFSA-N 0 3 347.462 4.230 20 30 EIEDHN C=CCC[C@H](NCC(=O)N(CC(F)(F)F)C(C)C)c1ccccc1 ZINC000341930373 1024998776 /nfs/dbraw/zinc/99/87/76/1024998776.db2.gz LOUGVRNCBZLBGB-INIZCTEOSA-N 0 3 342.405 4.083 20 30 EIEDHN CN(Cc1csc(C#N)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000893567051 1025063348 /nfs/dbraw/zinc/06/33/48/1025063348.db2.gz JJGDVPSGLBLUMX-SJLPKXTDSA-N 0 3 330.428 4.111 20 30 EIEDHN C=CCOc1ccc(CN[C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000067690261 1025239451 /nfs/dbraw/zinc/23/94/51/1025239451.db2.gz CVXWIBHCJXEDED-MRXNPFEDSA-N 0 3 341.451 4.428 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000067690262 1025240153 /nfs/dbraw/zinc/24/01/53/1025240153.db2.gz CVXWIBHCJXEDED-INIZCTEOSA-N 0 3 341.451 4.428 20 30 EIEDHN Cc1ccc([C@H](Cn2ccnc2)N[C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000610998934 1025253069 /nfs/dbraw/zinc/25/30/69/1025253069.db2.gz VXWTUECUSDAQRE-AVRDEDQJSA-N 0 3 344.462 4.464 20 30 EIEDHN N#Cc1ccc(CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)o1 ZINC000091891864 1025610984 /nfs/dbraw/zinc/61/09/84/1025610984.db2.gz RGMZACNUTIETBS-WMLDXEAASA-N 0 3 330.453 4.081 20 30 EIEDHN C=CCN(C)CCN(CC)C(=O)[C@H](c1cccc(Cl)c1)C(C)C ZINC001626750723 1025805012 /nfs/dbraw/zinc/80/50/12/1025805012.db2.gz DVTOLLHHXDMMGH-SFHVURJKSA-N 0 3 336.907 4.046 20 30 EIEDHN C#CCN1CCC(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1 ZINC000072015433 1026075309 /nfs/dbraw/zinc/07/53/09/1026075309.db2.gz QODZUZYUEUXPRN-UHFFFAOYSA-N 0 3 348.446 4.071 20 30 EIEDHN CC(C)(C)[C@@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000344222227 1026155309 /nfs/dbraw/zinc/15/53/09/1026155309.db2.gz SPULLCCSTXXDHA-MRXNPFEDSA-N 0 3 337.467 4.106 20 30 EIEDHN COc1ccc(CNC(C)(C)c2cccs2)cc1OCCCC#N ZINC000344337637 1026257996 /nfs/dbraw/zinc/25/79/96/1026257996.db2.gz DEWYZNUPWUVFDE-UHFFFAOYSA-N 0 3 344.480 4.464 20 30 EIEDHN COc1ccc2ccc(O)c(CN(CCC#N)CCC(C)C)c2c1 ZINC000728901320 1026327489 /nfs/dbraw/zinc/32/74/89/1026327489.db2.gz DCEHVMMPKUFBDW-UHFFFAOYSA-N 0 3 326.440 4.316 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)C(C)(C)CO3)n1 ZINC000582636264 1026886138 /nfs/dbraw/zinc/88/61/38/1026886138.db2.gz IMRCWWBCYATYNZ-ZDUSSCGKSA-N 0 3 340.448 4.427 20 30 EIEDHN CC(C)(C)c1ccc(CCN2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000582638195 1026888172 /nfs/dbraw/zinc/88/81/72/1026888172.db2.gz SMOSSRGZAFNOQX-UHFFFAOYSA-N 0 3 347.506 4.479 20 30 EIEDHN Cn1cc(CCC(=O)C(C#N)c2nc3ccccc3o2)c2ccccc21 ZINC000176733461 1026958268 /nfs/dbraw/zinc/95/82/68/1026958268.db2.gz WNHKCHYFLXGEHJ-INIZCTEOSA-N 0 3 343.386 4.129 20 30 EIEDHN C[C@@H](c1ccc(Cl)cc1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000472247372 1026998294 /nfs/dbraw/zinc/99/82/94/1026998294.db2.gz QEXCLGFDTZXLQG-INIZCTEOSA-N 0 3 333.907 4.349 20 30 EIEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472245768 1026998967 /nfs/dbraw/zinc/99/89/67/1026998967.db2.gz ZYJTYMIJLFAQIX-MBOZVWFJSA-N 0 3 349.478 4.391 20 30 EIEDHN CCCN(CC(=O)NC1(C#N)CCCCC1)[C@@H](CC)c1ccccc1 ZINC000519907018 1027040162 /nfs/dbraw/zinc/04/01/62/1027040162.db2.gz GBCPCYYIUDHFQR-IBGZPJMESA-N 0 3 341.499 4.192 20 30 EIEDHN C#CCN1CCC(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1 ZINC000302984538 1027446830 /nfs/dbraw/zinc/44/68/30/1027446830.db2.gz KEHGETDPSRCLEZ-UHFFFAOYSA-N 0 3 348.446 4.071 20 30 EIEDHN C=CCc1cc(CNCc2coc3ccccc23)cc(OC)c1OC ZINC000121307619 1027468633 /nfs/dbraw/zinc/46/86/33/1027468633.db2.gz YGJWXYBWMZTTQQ-UHFFFAOYSA-N 0 3 337.419 4.468 20 30 EIEDHN CCN(CC)[C@H](CNc1snc(Cl)c1C#N)c1ccsc1 ZINC000052045234 1027825571 /nfs/dbraw/zinc/82/55/71/1027825571.db2.gz BFUYCMJLWWBDHD-GFCCVEGCSA-N 0 3 340.905 4.225 20 30 EIEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000444668368 1027953545 /nfs/dbraw/zinc/95/35/45/1027953545.db2.gz USMDUWAZKDZHON-GDBMZVCRSA-N 0 3 333.501 4.076 20 30 EIEDHN CC[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(C#N)cc1 ZINC000278175710 1028403170 /nfs/dbraw/zinc/40/31/70/1028403170.db2.gz CXCJFNQZLNFAFN-OAQYLSRUSA-N 0 3 348.494 4.430 20 30 EIEDHN CC[C@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(C#N)cc1 ZINC000278175707 1028403552 /nfs/dbraw/zinc/40/35/52/1028403552.db2.gz CXCJFNQZLNFAFN-NRFANRHFSA-N 0 3 348.494 4.430 20 30 EIEDHN CCC(CC)N(CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000583286542 1028424763 /nfs/dbraw/zinc/42/47/63/1028424763.db2.gz UPLHTFTWHMJGCU-OAHLLOKOSA-N 0 3 347.528 4.387 20 30 EIEDHN CCc1nn(C)cc1CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611764646 1028492807 /nfs/dbraw/zinc/49/28/07/1028492807.db2.gz SEIJKBUKWBDDFP-MRXNPFEDSA-N 0 3 344.462 4.372 20 30 EIEDHN Cn1ccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1C1CCC1 ZINC000346596116 1028523654 /nfs/dbraw/zinc/52/36/54/1028523654.db2.gz WNNQOGKKRFLJTE-AWEZNQCLSA-N 0 3 347.340 4.196 20 30 EIEDHN COc1cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)cc(OC)c1 ZINC000330345005 1028607230 /nfs/dbraw/zinc/60/72/30/1028607230.db2.gz DPOZQWSGFGZEGX-SFHVURJKSA-N 0 3 332.444 4.089 20 30 EIEDHN Cc1c([C@H](C)NCCCC#N)cnn1-c1ccc(Cl)cc1Cl ZINC000346806044 1028665380 /nfs/dbraw/zinc/66/53/80/1028665380.db2.gz AJSDXZALEJDLME-NSHDSACASA-N 0 3 337.254 4.442 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000524668547 1029157115 /nfs/dbraw/zinc/15/71/15/1029157115.db2.gz LKPXASADGDGKHC-UHFFFAOYSA-N 0 3 329.488 4.146 20 30 EIEDHN N#Cc1ccc(OC2CCN(c3ccnc4ccccc43)CC2)c(F)c1 ZINC000343506691 1029394398 /nfs/dbraw/zinc/39/43/98/1029394398.db2.gz MHTDLNFEEWYBCD-UHFFFAOYSA-N 0 3 347.393 4.293 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2C(C)(C)C)c1C ZINC000525274443 1029562242 /nfs/dbraw/zinc/56/22/42/1029562242.db2.gz KRSGQLFLDDCSOZ-LJQANCHMSA-N 0 3 341.499 4.061 20 30 EIEDHN COc1cc(Br)ccc1[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000193343097 1029611344 /nfs/dbraw/zinc/61/13/44/1029611344.db2.gz NBJVWDJRUFMXPE-SGMGOOAPSA-N 0 3 337.261 4.191 20 30 EIEDHN Cc1ccc2[nH]c([C@@H]3CCCN(Cc4ccc(C#N)s4)C3)nc2c1 ZINC000584299259 1029726403 /nfs/dbraw/zinc/72/64/03/1029726403.db2.gz DRIMHUGIIWYTLI-CQSZACIVSA-N 0 3 336.464 4.184 20 30 EIEDHN Cc1ccc2nc([C@@H]3CCCN(Cc4ccc(C#N)s4)C3)[nH]c2c1 ZINC000584299259 1029726411 /nfs/dbraw/zinc/72/64/11/1029726411.db2.gz DRIMHUGIIWYTLI-CQSZACIVSA-N 0 3 336.464 4.184 20 30 EIEDHN CN(C)[C@H](CNc1cc(C#N)ccc1C(F)(F)F)c1ccsc1 ZINC000475450809 1029780028 /nfs/dbraw/zinc/78/00/28/1029780028.db2.gz DGNTZZRXFUSRSS-OAHLLOKOSA-N 0 3 339.386 4.353 20 30 EIEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)c1nc2ccccc2s1 ZINC000160145330 1029809768 /nfs/dbraw/zinc/80/97/68/1029809768.db2.gz JWLWPXQPETZCQK-SNVBAGLBSA-N 0 3 345.786 4.335 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000526942317 1030357879 /nfs/dbraw/zinc/35/78/79/1030357879.db2.gz JCSVHEBTFJEMMI-WBVHZDCISA-N 0 3 328.456 4.063 20 30 EIEDHN N#Cc1cccc(CN2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000022803524 1030376458 /nfs/dbraw/zinc/37/64/58/1030376458.db2.gz JNNLKUOFRBNWHH-UHFFFAOYSA-N 0 3 341.458 4.029 20 30 EIEDHN N#Cc1cc(CN[C@@H](CN2CCCCC2)c2ccccc2)ccc1F ZINC000611938748 1030415277 /nfs/dbraw/zinc/41/52/77/1030415277.db2.gz VCUXKKODEVOIRJ-NRFANRHFSA-N 0 3 337.442 4.014 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1OCC(C)C ZINC000610344693 1030532295 /nfs/dbraw/zinc/53/22/95/1030532295.db2.gz GBCKLPDIPBPGAS-INIZCTEOSA-N 0 3 338.451 4.452 20 30 EIEDHN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cccc(OCCCC#N)c2)C1 ZINC000190961075 1030590343 /nfs/dbraw/zinc/59/03/43/1030590343.db2.gz VDHRCZCWBKYVAQ-UTKZUKDTSA-N 0 3 335.451 4.347 20 30 EIEDHN Fc1cc(F)c(F)c(CN[C@H]2CCC[C@H](C(F)(F)F)C2)c1F ZINC000782531098 1030608690 /nfs/dbraw/zinc/60/86/90/1030608690.db2.gz NWYHUVWRBSAMMF-YUMQZZPRSA-N 0 3 329.259 4.454 20 30 EIEDHN C=CCc1cc(CN[C@H]2CCCc3c(O)cccc32)cc(OC)c1O ZINC000191656451 1030632516 /nfs/dbraw/zinc/63/25/16/1030632516.db2.gz LIQUURIBVXJDRY-SFHVURJKSA-N 0 3 339.435 4.002 20 30 EIEDHN C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)NCC(C)(C)C#N ZINC000310043388 1030991633 /nfs/dbraw/zinc/99/16/33/1030991633.db2.gz GAKITVGDYHXVHE-CVEARBPZSA-N 0 3 337.508 4.084 20 30 EIEDHN CC(C)c1ccc2c(c1)[C@H](NCc1cnc3ccc(C#N)cn13)CCC2 ZINC000136245037 1031245600 /nfs/dbraw/zinc/24/56/00/1031245600.db2.gz OVFVYTYWUNQLIQ-OAQYLSRUSA-N 0 3 344.462 4.497 20 30 EIEDHN Cn1cc(CNCc2ccc(C3CC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000191682138 1031333046 /nfs/dbraw/zinc/33/30/46/1031333046.db2.gz QXAYRHWRDRFCLY-UHFFFAOYSA-N 0 3 342.446 4.126 20 30 EIEDHN CCN(Cc1cccs1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179888543 1031553569 /nfs/dbraw/zinc/55/35/69/1031553569.db2.gz RQKMNKZYOYNOTK-UHFFFAOYSA-N 0 3 336.464 4.042 20 30 EIEDHN CCOC(=O)c1cc(CN[C@@H](CCCC#N)c2ccccc2)[nH]c1C ZINC000449340913 1031638088 /nfs/dbraw/zinc/63/80/88/1031638088.db2.gz RDAHJDUHJBWLLB-IBGZPJMESA-N 0 3 339.439 4.025 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528910013 1031934850 /nfs/dbraw/zinc/93/48/50/1031934850.db2.gz PVIBLJOQEJHNKS-BRWVUGGUSA-N 0 3 347.393 4.082 20 30 EIEDHN Cc1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c(C(C)C)n1 ZINC000453571543 1032020844 /nfs/dbraw/zinc/02/08/44/1032020844.db2.gz MOGQZEAATSVNRB-CQSZACIVSA-N 0 3 347.340 4.417 20 30 EIEDHN N#Cc1csc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000453611487 1032046083 /nfs/dbraw/zinc/04/60/83/1032046083.db2.gz ITNWFMDVLIHUQM-SFHVURJKSA-N 0 3 326.465 4.003 20 30 EIEDHN C[C@@H](N[C@@H](C)COc1ccc(F)cc1F)c1ccc(C#N)cc1F ZINC000512616845 1033519904 /nfs/dbraw/zinc/51/99/04/1033519904.db2.gz CZMITGYABRHJPH-NWDGAFQWSA-N 0 3 334.341 4.094 20 30 EIEDHN C[C@H](NC[C@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1F ZINC000512637194 1033582713 /nfs/dbraw/zinc/58/27/13/1033582713.db2.gz SMJPMMBYUTWENW-HNAYVOBHSA-N 0 3 341.430 4.168 20 30 EIEDHN C[C@H](N[C@H]1CCC[C@H]1OCc1ccccc1)c1ccc(C#N)cc1F ZINC000512649983 1033610181 /nfs/dbraw/zinc/61/01/81/1033610181.db2.gz WBSNCVHDXHLEGD-ONGXBYRLSA-N 0 3 338.426 4.486 20 30 EIEDHN Cc1ccnc(OC2CCN(Cc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000614182428 1033627295 /nfs/dbraw/zinc/62/72/95/1033627295.db2.gz RIRDXZDSBYRYAI-UHFFFAOYSA-N 0 3 349.478 4.235 20 30 EIEDHN COC(=O)c1ccc(CN[C@H](CCCC#N)c2ccccc2)s1 ZINC000433029566 1033697548 /nfs/dbraw/zinc/69/75/48/1033697548.db2.gz BXNVKSQFBPWMPL-MRXNPFEDSA-N 0 3 328.437 4.059 20 30 EIEDHN Cc1cc(C)cc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433038328 1033701878 /nfs/dbraw/zinc/70/18/78/1033701878.db2.gz JFBYNYLXUMECKS-HXUWFJFHSA-N 0 3 335.451 4.267 20 30 EIEDHN C=CCOc1ccc(CN2CCC(c3ncc(C)s3)CC2)cc1 ZINC000433032848 1033702983 /nfs/dbraw/zinc/70/29/83/1033702983.db2.gz SORLFOVVDBPNLU-UHFFFAOYSA-N 0 3 328.481 4.396 20 30 EIEDHN CN(Cc1ccc(OCC#N)cc1)Cc1ccccc1C(F)(F)F ZINC000729267377 1034768041 /nfs/dbraw/zinc/76/80/41/1034768041.db2.gz TURNGETYTIZGFS-UHFFFAOYSA-N 0 3 334.341 4.240 20 30 EIEDHN C=CCC[C@H](N[C@H]1CCN(c2ncccc2Cl)C1)c1ccco1 ZINC000513662684 1035096624 /nfs/dbraw/zinc/09/66/24/1035096624.db2.gz YRIDDMWZWTVOPR-HOCLYGCPSA-N 0 3 331.847 4.204 20 30 EIEDHN COc1cc(CNCC2(CC#N)CC2)ccc1OCc1ccccc1 ZINC000430032663 1035330816 /nfs/dbraw/zinc/33/08/16/1035330816.db2.gz CWCHMECZAKMODK-UHFFFAOYSA-N 0 3 336.435 4.058 20 30 EIEDHN COc1cc(C#N)ccc1CN1CC[C@@H](CSc2ccccc2)C1 ZINC000501211177 1035400424 /nfs/dbraw/zinc/40/04/24/1035400424.db2.gz QMTDVWWKTGMKRV-QGZVFWFLSA-N 0 3 338.476 4.181 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc3ccsc32)CC1 ZINC000501217705 1035401967 /nfs/dbraw/zinc/40/19/67/1035401967.db2.gz MNMQXTGHYBYBGI-UHFFFAOYSA-N 0 3 329.469 4.063 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000419839618 1035426114 /nfs/dbraw/zinc/42/61/14/1035426114.db2.gz QNKRDOITAAKRCB-LBPRGKRZSA-N 0 3 333.844 4.340 20 30 EIEDHN N#Cc1cccc(C2(NCc3ccc4occc4c3)CCOCC2)c1 ZINC000594980323 1035515799 /nfs/dbraw/zinc/51/57/99/1035515799.db2.gz PHVILPVEQLPXRU-UHFFFAOYSA-N 0 3 332.403 4.100 20 30 EIEDHN CC(C)[C@H](O)[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594990403 1035521104 /nfs/dbraw/zinc/52/11/04/1035521104.db2.gz PYTJPXZBCNYBJX-RTWAWAEBSA-N 0 3 334.463 4.090 20 30 EIEDHN C[C@@H](c1ccncc1)N1CCC(/N=C/c2cc(Cl)ccc2O)CC1 ZINC000158275684 1035724036 /nfs/dbraw/zinc/72/40/36/1035724036.db2.gz RFXIDEHIOIAYTK-KOUDTOEKSA-N 0 3 343.858 4.085 20 30 EIEDHN Cc1cc(C)n(-c2ccc(CNC(C)(C)c3cccc(C#N)c3)cc2)n1 ZINC000595639037 1035742848 /nfs/dbraw/zinc/74/28/48/1035742848.db2.gz FGCVOALHSYZBIN-UHFFFAOYSA-N 0 3 344.462 4.386 20 30 EIEDHN N#Cc1ccc(-c2nnc(CN3CC[C@H](C4CCCCC4)C3)o2)cc1 ZINC000595742204 1035783323 /nfs/dbraw/zinc/78/33/23/1035783323.db2.gz XPIZSVGLZDQOLE-SFHVURJKSA-N 0 3 336.439 4.010 20 30 EIEDHN CC(C)CC1(NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000595831683 1035801153 /nfs/dbraw/zinc/80/11/53/1035801153.db2.gz PHLBBSSHHZYEIT-HNNXBMFYSA-N 0 3 345.512 4.188 20 30 EIEDHN N#Cc1cccc(CN2CCC3(CCc4ccccc4O3)CC2)c1F ZINC000595828761 1035801223 /nfs/dbraw/zinc/80/12/23/1035801223.db2.gz LMTXFAFIMSLAJP-UHFFFAOYSA-N 0 3 336.410 4.057 20 30 EIEDHN CC(C)(C)[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000054990618 1035877148 /nfs/dbraw/zinc/87/71/48/1035877148.db2.gz VVGQFFAFQUUXPQ-OAQYLSRUSA-N 0 3 349.478 4.310 20 30 EIEDHN C[C@H](CCC#N)CN[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000602586323 1036514680 /nfs/dbraw/zinc/51/46/80/1036514680.db2.gz PUGIWCRTKUDNKE-UZLBHIALSA-N 0 3 332.451 4.192 20 30 EIEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000602699969 1036577908 /nfs/dbraw/zinc/57/79/08/1036577908.db2.gz PTHIXTXXZSRFLS-RHSMWYFYSA-N 0 3 346.446 4.116 20 30 EIEDHN COc1cc2c(cc1OC)[C@H](NC(C)(C)c1cccc(C#N)c1)CC2 ZINC000602706171 1036582987 /nfs/dbraw/zinc/58/29/87/1036582987.db2.gz IRDDAIUYXOEPIL-GOSISDBHSA-N 0 3 336.435 4.088 20 30 EIEDHN N#CCC1(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000602801491 1036626381 /nfs/dbraw/zinc/62/63/81/1036626381.db2.gz DWQJILWXMHWBAH-LJQANCHMSA-N 0 3 348.425 4.200 20 30 EIEDHN CC1=Nc2ccccc2C12CCN(Cc1ccc(C#N)c(F)c1)CC2 ZINC000602864913 1036649622 /nfs/dbraw/zinc/64/96/22/1036649622.db2.gz RHKMLQHWPNTFBH-UHFFFAOYSA-N 0 3 333.410 4.337 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000598592004 1036709619 /nfs/dbraw/zinc/70/96/19/1036709619.db2.gz DOCFSPWYHSZMSV-RTWAWAEBSA-N 0 3 334.463 4.087 20 30 EIEDHN CCCN(Cc1ccccc1C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502879591 1036748001 /nfs/dbraw/zinc/74/80/01/1036748001.db2.gz ZSGBKZWBSKDCOQ-KRWDZBQOSA-N 0 3 335.451 4.188 20 30 EIEDHN COc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1OC1CC1 ZINC000598982765 1036840412 /nfs/dbraw/zinc/84/04/12/1036840412.db2.gz ZLXQTTICJBCWRA-UHFFFAOYSA-N 0 3 348.446 4.277 20 30 EIEDHN COc1ccccc1C[C@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000170960604 1036958412 /nfs/dbraw/zinc/95/84/12/1036958412.db2.gz WYCZPQGELBRSPA-HOCLYGCPSA-N 0 3 348.402 4.282 20 30 EIEDHN C=CCC1(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCCC1 ZINC000599611932 1037098552 /nfs/dbraw/zinc/09/85/52/1037098552.db2.gz DBWDWUIWIWDWRI-UHFFFAOYSA-N 0 3 342.399 4.013 20 30 EIEDHN N#Cc1ccc(N2CCC[C@H](NCc3sccc3Cl)C2)c(F)c1 ZINC000487285770 1037100905 /nfs/dbraw/zinc/10/09/05/1037100905.db2.gz CRFGWFSJRPBMCJ-ZDUSSCGKSA-N 0 3 349.862 4.171 20 30 EIEDHN CC(C)(C#N)CCCCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599660080 1037121381 /nfs/dbraw/zinc/12/13/81/1037121381.db2.gz MXCZXEQJQYWYSE-UHFFFAOYSA-N 0 3 338.499 4.006 20 30 EIEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000604046891 1037164525 /nfs/dbraw/zinc/16/45/25/1037164525.db2.gz CNWNHJHRNYQJIR-UONOGXRCSA-N 0 3 341.842 4.198 20 30 EIEDHN COc1ccccc1[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000171402861 1037389871 /nfs/dbraw/zinc/38/98/71/1037389871.db2.gz MJILDGONAGJWDY-DZGCQCFKSA-N 0 3 334.375 4.206 20 30 EIEDHN COC1(C(F)(F)F)CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000591376863 1037399702 /nfs/dbraw/zinc/39/97/02/1037399702.db2.gz NBZYXHIUYZEYJW-UHFFFAOYSA-N 0 3 340.389 4.031 20 30 EIEDHN N#Cc1cnccc1CN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000592113696 1037735736 /nfs/dbraw/zinc/73/57/36/1037735736.db2.gz HCJKEKTVIPZUGH-WMZOPIPTSA-N 0 3 345.368 4.398 20 30 EIEDHN C#CCCOc1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000172116978 1037857985 /nfs/dbraw/zinc/85/79/85/1037857985.db2.gz RPJYASUYQOVEHU-FGZHOGPDSA-N 0 3 335.447 4.099 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000594432836 1038333518 /nfs/dbraw/zinc/33/35/18/1038333518.db2.gz GXDNRWUJOZAHEJ-GOSISDBHSA-N 0 3 345.512 4.212 20 30 EIEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)c2ccccc21 ZINC000594442055 1038336157 /nfs/dbraw/zinc/33/61/57/1038336157.db2.gz BMIMDWGCWVMIGB-FZKQIMNGSA-N 0 3 343.858 4.082 20 30 EIEDHN Cc1cccc(Oc2ccccc2NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594424968 1038339770 /nfs/dbraw/zinc/33/97/70/1038339770.db2.gz FHIDBGWKGBQDHQ-QGZVFWFLSA-N 0 3 337.423 4.137 20 30 EIEDHN CCC(=O)Nc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594494827 1038346273 /nfs/dbraw/zinc/34/62/73/1038346273.db2.gz IHQYRNZNMSTXIY-UHFFFAOYSA-N 0 3 335.451 4.126 20 30 EIEDHN COC(=O)c1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000594504565 1038351801 /nfs/dbraw/zinc/35/18/01/1038351801.db2.gz PISAJPMWOXXSBT-VLIAUNLRSA-N 0 3 334.419 4.073 20 30 EIEDHN CC(=O)Nc1cccc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594514620 1038357220 /nfs/dbraw/zinc/35/72/20/1038357220.db2.gz JTHIACHLGAENMP-HNNXBMFYSA-N 0 3 333.435 4.247 20 30 EIEDHN N#Cc1ccc(C2(NCc3ccc4c(c3)OCCCCO4)CCC2)cc1 ZINC000594516074 1038357889 /nfs/dbraw/zinc/35/78/89/1038357889.db2.gz AUOYFLFLIVPVBC-UHFFFAOYSA-N 0 3 348.446 4.279 20 30 EIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc([S@](C)=O)cc1 ZINC000594519573 1038360453 /nfs/dbraw/zinc/36/04/53/1038360453.db2.gz WDMCLBBQDQDODM-OWJWWREXSA-N 0 3 338.476 4.026 20 30 EIEDHN N#CC1(c2ccc(CN[C@H](CCO)c3ccc(Cl)cc3)cc2)CC1 ZINC000594950120 1038514422 /nfs/dbraw/zinc/51/44/22/1038514422.db2.gz AAYFNGFEUUBELF-LJQANCHMSA-N 0 3 340.854 4.108 20 30 EIEDHN CC(C)(NCc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000594964962 1038558454 /nfs/dbraw/zinc/55/84/54/1038558454.db2.gz HCTSBUAOIYFNLU-UHFFFAOYSA-N 0 3 334.341 4.482 20 30 EIEDHN CC[C@](C)(NCCCOc1ccc(C#N)cc1)c1nc(C)cs1 ZINC000173943652 1038795988 /nfs/dbraw/zinc/79/59/88/1038795988.db2.gz BOQBKOSNSOZYJT-SFHVURJKSA-N 0 3 329.469 4.007 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC(F)(F)F)cc1 ZINC000173985254 1038812278 /nfs/dbraw/zinc/81/22/78/1038812278.db2.gz KFQRPVHVSUQHKG-SMDDNHRTSA-N 0 3 340.345 4.190 20 30 EIEDHN Cc1ccc(OC(F)F)c([C@@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000539087717 1038817086 /nfs/dbraw/zinc/81/70/86/1038817086.db2.gz KTIJGTZNFDKNNS-CQSZACIVSA-N 0 3 346.377 4.198 20 30 EIEDHN C[C@H](CCc1ccccc1F)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000174015924 1038818962 /nfs/dbraw/zinc/81/89/62/1038818962.db2.gz SXXXLZXRVZQERZ-UKRRQHHQSA-N 0 3 336.366 4.412 20 30 EIEDHN C=CCCc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000505056424 1038927105 /nfs/dbraw/zinc/92/71/05/1038927105.db2.gz BHFJSIWHIVNJKE-NHCUHLMSSA-N 0 3 349.478 4.372 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c(Br)c2)n1 ZINC000080252011 1038939747 /nfs/dbraw/zinc/93/97/47/1038939747.db2.gz UGDTWWPEOGWKDP-NSHDSACASA-N 0 3 335.226 4.013 20 30 EIEDHN CC(C)C[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000539297600 1038948177 /nfs/dbraw/zinc/94/81/77/1038948177.db2.gz LTZRZIAMCGLMPJ-HKUYNNGSSA-N 0 3 349.906 4.071 20 30 EIEDHN C[C@H](NCC#Cc1ccccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000539341609 1038998332 /nfs/dbraw/zinc/99/83/32/1038998332.db2.gz BIIHCCZVQAEJAE-INIZCTEOSA-N 0 3 335.838 4.228 20 30 EIEDHN C=CCC[C@H](NCCOc1ccc(C(F)(F)F)cn1)c1ccco1 ZINC000552063148 1039085100 /nfs/dbraw/zinc/08/51/00/1039085100.db2.gz QGFPXAKIYADPRI-AWEZNQCLSA-N 0 3 340.345 4.369 20 30 EIEDHN COc1ccc(Oc2cc(CN[C@@H](C)CC(C)(C)C#N)ccn2)cc1 ZINC000924705945 1039743694 /nfs/dbraw/zinc/74/36/94/1039743694.db2.gz CUSWYGDKVBYQMI-HNNXBMFYSA-N 0 3 339.439 4.300 20 30 EIEDHN C=CCC(C)(C)c1noc([C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000551136085 1039999833 /nfs/dbraw/zinc/99/98/33/1039999833.db2.gz IMOGUPOAJPZLGE-VXGBXAGGSA-N 0 3 345.409 4.300 20 30 EIEDHN C=C(C)COCCN[C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479404790 1040304490 /nfs/dbraw/zinc/30/44/90/1040304490.db2.gz FJCSHXRUGYHDHY-INIZCTEOSA-N 0 3 342.252 4.222 20 30 EIEDHN C=CCOc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000425368996 1040355555 /nfs/dbraw/zinc/35/55/55/1040355555.db2.gz YVGLPXFMWBGUSL-INIZCTEOSA-N 0 3 336.435 4.325 20 30 EIEDHN Cc1csc(C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000160142278 1040372685 /nfs/dbraw/zinc/37/26/85/1040372685.db2.gz DMBYBEBAPFQURE-LLVKDONJSA-N 0 3 326.208 4.004 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000442899010 1040394687 /nfs/dbraw/zinc/39/46/87/1040394687.db2.gz MLUSNJXUEFKKJR-MRXNPFEDSA-N 0 3 346.430 4.180 20 30 EIEDHN C[C@H](CNCc1ccc(OCC(F)(F)F)c(F)c1)C(F)(F)F ZINC000479603361 1040503809 /nfs/dbraw/zinc/50/38/09/1040503809.db2.gz CNBGBGJXDCVODI-MRVPVSSYSA-N 0 3 333.247 4.055 20 30 EIEDHN N#Cc1cccc(C2(NCCOc3ccc(F)cc3Cl)CC2)c1 ZINC000551711344 1040527559 /nfs/dbraw/zinc/52/75/59/1040527559.db2.gz SSONIYFWXKLAKT-UHFFFAOYSA-N 0 3 330.790 4.008 20 30 EIEDHN N#CC(=C([O-])c1ccc(OC2CCC2)cc1)c1cnc2ccccc2n1 ZINC000483200100 1040759011 /nfs/dbraw/zinc/75/90/11/1040759011.db2.gz NEWVXTMGSGVLSE-KRWDZBQOSA-N 0 3 343.386 4.051 20 30 EIEDHN N#CC(C(=O)c1ccc(OC2CCC2)cc1)c1cnc2ccccc2n1 ZINC000483200100 1040759026 /nfs/dbraw/zinc/75/90/26/1040759026.db2.gz NEWVXTMGSGVLSE-KRWDZBQOSA-N 0 3 343.386 4.051 20 30 EIEDHN C[C@@H](NC[C@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1Cl ZINC000554085511 1040790036 /nfs/dbraw/zinc/79/00/36/1040790036.db2.gz KSROHSMLHVMJRP-TZMCWYRMSA-N 0 3 349.261 4.292 20 30 EIEDHN C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483293224 1040801685 /nfs/dbraw/zinc/80/16/85/1040801685.db2.gz IBVSEVPKTYFVJN-FZKQIMNGSA-N 0 3 347.384 4.499 20 30 EIEDHN Cc1cc(C)n(-c2ccccc2CN[C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000554113520 1040808591 /nfs/dbraw/zinc/80/85/91/1040808591.db2.gz PYOOJBQARUTLII-MRXNPFEDSA-N 0 3 348.425 4.351 20 30 EIEDHN C=C(C)COc1cc(CN(C)Cc2ccc(OC)cc2)ccc1OC ZINC000505756468 1040871507 /nfs/dbraw/zinc/87/15/07/1040871507.db2.gz LVQUKGXOQVQMLC-UHFFFAOYSA-N 0 3 341.451 4.291 20 30 EIEDHN C=CC[C@H](C)[C@H](C)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540167474 1041209309 /nfs/dbraw/zinc/20/93/09/1041209309.db2.gz ZMOVNBXJRHPALD-UWVGGRQHSA-N 0 3 346.784 4.092 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)C3(CCCCC3)C2)CC1 ZINC000463202651 1041430294 /nfs/dbraw/zinc/43/02/94/1041430294.db2.gz MOLLBVXAFFYISV-GOSISDBHSA-N 0 3 347.547 4.029 20 30 EIEDHN CC[C@H](C)[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000540415076 1041441406 /nfs/dbraw/zinc/44/14/06/1041441406.db2.gz KYMAJFAAUWXKHG-GDIGMMSISA-N 0 3 349.906 4.071 20 30 EIEDHN CC[C@H](C)[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000540415079 1041442253 /nfs/dbraw/zinc/44/22/53/1041442253.db2.gz KYMAJFAAUWXKHG-KYNGSXCRSA-N 0 3 349.906 4.071 20 30 EIEDHN C[C@H]1CSCCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000538732228 1041503942 /nfs/dbraw/zinc/50/39/42/1041503942.db2.gz VVAWPFGPSNAZKX-INIZCTEOSA-N 0 3 338.476 4.075 20 30 EIEDHN N#CC(C(=O)c1ccc(Cl)c(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000464418878 1041996046 /nfs/dbraw/zinc/99/60/46/1041996046.db2.gz BSPSTLJUYOOXPM-SNVBAGLBSA-N 0 3 342.679 4.383 20 30 EIEDHN CC(C)C[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1cccs1 ZINC000541627647 1042044915 /nfs/dbraw/zinc/04/49/15/1042044915.db2.gz UPGWHYLXVSBZJG-RHSMWYFYSA-N 0 3 341.480 4.324 20 30 EIEDHN CCC[C@@H](C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000030270598 1042499604 /nfs/dbraw/zinc/49/96/04/1042499604.db2.gz NOLXJZJQILDXAV-CQSZACIVSA-N 0 3 344.503 4.151 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(F)c3cccnc23)c1 ZINC000151984327 1042572300 /nfs/dbraw/zinc/57/23/00/1042572300.db2.gz ZEZJUMHVJMWWRP-KRWDZBQOSA-N 0 3 349.409 4.345 20 30 EIEDHN Cc1cc(CN[C@@H]2CCc3cc(Br)ccc32)ccc1C#N ZINC000443955144 1042693736 /nfs/dbraw/zinc/69/37/36/1042693736.db2.gz CCUPTDAWYZXHJF-GOSISDBHSA-N 0 3 341.252 4.406 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2(CC1)OCCc1ccsc12 ZINC000492600746 1042706233 /nfs/dbraw/zinc/70/62/33/1042706233.db2.gz IGYIHWMBYOWPHZ-OAHLLOKOSA-N 0 3 338.476 4.245 20 30 EIEDHN N#Cc1cccc(CNCc2cccc(COCc3ccco3)c2)c1 ZINC000030913276 1042741707 /nfs/dbraw/zinc/74/17/07/1042741707.db2.gz VVDYKROUAAGEIM-UHFFFAOYSA-N 0 3 332.403 4.158 20 30 EIEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000322985577 1042839351 /nfs/dbraw/zinc/83/93/51/1042839351.db2.gz XFZPTLQBVRVUMU-QRQLOZEOSA-N 0 3 332.875 4.117 20 30 EIEDHN C=CCC[C@H](NC(=O)CN(C)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000441582849 1042895501 /nfs/dbraw/zinc/89/55/01/1042895501.db2.gz ZHJQUPGCLXKOBS-INIZCTEOSA-N 0 3 342.405 4.169 20 30 EIEDHN C[C@@H](NCC(=O)Nc1sccc1C#N)c1cccc2ccccc21 ZINC000008269612 1043080270 /nfs/dbraw/zinc/08/02/70/1043080270.db2.gz IVWKYNDHZLXYSL-CYBMUJFWSA-N 0 3 335.432 4.062 20 30 EIEDHN CC[C@@H](C)[C@H](C)N(CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000112599550 1043118582 /nfs/dbraw/zinc/11/85/82/1043118582.db2.gz LVVNPXFEUPQXQO-OLZOCXBDSA-N 0 3 333.863 4.049 20 30 EIEDHN C=CCc1cc(CNCc2ccc(C(F)F)cc2)cc(OC)c1O ZINC000185184611 1043162316 /nfs/dbraw/zinc/16/23/16/1043162316.db2.gz NEJLBHPXURLMLO-UHFFFAOYSA-N 0 3 333.378 4.357 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)NC(C)(C)c1cccs1 ZINC000543506421 1043172748 /nfs/dbraw/zinc/17/27/48/1043172748.db2.gz RRNLKUVGWPWSSM-AWEZNQCLSA-N 0 3 348.537 4.238 20 30 EIEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(CCCC)cc2)CC1 ZINC000729941765 1043409174 /nfs/dbraw/zinc/40/91/74/1043409174.db2.gz BRKZWKOSQLFMSC-UHFFFAOYSA-N 0 3 345.556 4.356 20 30 EIEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000176527646 1043499577 /nfs/dbraw/zinc/49/95/77/1043499577.db2.gz BWEXKDFYZAZMDE-ZDUSSCGKSA-N 0 3 338.379 4.005 20 30 EIEDHN COc1cc(C)cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000494517414 1043539573 /nfs/dbraw/zinc/53/95/73/1043539573.db2.gz YXHIGOJNXPYXSG-UHFFFAOYSA-N 0 3 349.478 4.260 20 30 EIEDHN CCOc1c(Cl)cc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000078878160 1043804752 /nfs/dbraw/zinc/80/47/52/1043804752.db2.gz CYYSJHIPCYZAFJ-ZDUSSCGKSA-N 0 3 344.842 4.470 20 30 EIEDHN CCOc1ccccc1Oc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000442719566 1043822204 /nfs/dbraw/zinc/82/22/04/1043822204.db2.gz QISCUCKPEFRQBE-DOTOQJQBSA-N 0 3 337.423 4.054 20 30 EIEDHN CC(C)Oc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(C(F)(F)F)c1 ZINC000442792467 1043841540 /nfs/dbraw/zinc/84/15/40/1043841540.db2.gz QDBCFJDMKPRESS-OCCSQVGLSA-N 0 3 326.362 4.274 20 30 EIEDHN N#C[C@@H]1CC[C@H](N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)C1 ZINC000442827948 1043850508 /nfs/dbraw/zinc/85/05/08/1043850508.db2.gz QKYNQNKRCVZSIF-HHXXYDBFSA-N 0 3 325.843 4.301 20 30 EIEDHN COc1cc(CN2CCC(c3c[nH]c4ccccc43)CC2)ccc1C#N ZINC000442809574 1043851871 /nfs/dbraw/zinc/85/18/71/1043851871.db2.gz LFCBJLAKGBWSSV-UHFFFAOYSA-N 0 3 345.446 4.428 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC2(CC1)OCCc1ccsc12 ZINC000442891756 1043885820 /nfs/dbraw/zinc/88/58/20/1043885820.db2.gz CWYUNKRBQPTASX-HNNXBMFYSA-N 0 3 338.476 4.245 20 30 EIEDHN C[C@@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(C#N)cc1 ZINC000173856670 1044183926 /nfs/dbraw/zinc/18/39/26/1044183926.db2.gz ILJLLHSOIXWFBM-OAHLLOKOSA-N 0 3 345.402 4.254 20 30 EIEDHN CSC[C@@H](NCC1(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000430748154 1044280140 /nfs/dbraw/zinc/28/01/40/1044280140.db2.gz CEWJXQUUXCALJG-CQSZACIVSA-N 0 3 328.403 4.393 20 30 EIEDHN CSc1ccc([C@H](CNc2ncc(C#N)cc2Cl)N(C)C)cc1 ZINC000338839288 1044392763 /nfs/dbraw/zinc/39/27/63/1044392763.db2.gz YHAPHFVSLDBRKZ-INIZCTEOSA-N 0 3 346.887 4.043 20 30 EIEDHN N#Cc1ccc(-c2ccn(CN3CCC[C@@]4(CC=CCC4)C3)n2)cc1 ZINC000733992743 1044449872 /nfs/dbraw/zinc/44/98/72/1044449872.db2.gz UHQWNIHNDRWKGS-NRFANRHFSA-N 0 3 332.451 4.202 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCC2)cc1 ZINC000734079587 1044479656 /nfs/dbraw/zinc/47/96/56/1044479656.db2.gz DIDDGOUZTHRMHD-KSSFIOAISA-N 0 3 326.440 4.113 20 30 EIEDHN C=C(CN[C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccccc1 ZINC000675782483 1044496741 /nfs/dbraw/zinc/49/67/41/1044496741.db2.gz UNQUICSZYRLKRL-HNNXBMFYSA-N 0 3 338.842 4.285 20 30 EIEDHN C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)C1CCCCC1 ZINC000542531286 1044575191 /nfs/dbraw/zinc/57/51/91/1044575191.db2.gz LKZQAXKJHVNFGB-LSDHHAIUSA-N 0 3 338.455 4.303 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCC(C)C)C(C)(C)C)CC1 ZINC000522400686 1044707199 /nfs/dbraw/zinc/70/71/99/1044707199.db2.gz GCHQTTVCAUJIQN-SFHVURJKSA-N 0 3 337.552 4.177 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\CCOC2CCCCCC2)c([O-])c1 ZINC000735618921 1044843241 /nfs/dbraw/zinc/84/32/41/1044843241.db2.gz HHDSXCVBIBMIPB-PGMHBOJBSA-N 0 3 332.488 4.397 20 30 EIEDHN N#CC(C(=O)C[C@H]1CCOc2ccccc21)c1ccc2ccccc2n1 ZINC000735592928 1044843337 /nfs/dbraw/zinc/84/33/37/1044843337.db2.gz FNNQTQFEDKCMJH-SJLPKXTDSA-N 0 3 342.398 4.367 20 30 EIEDHN CSC[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000429315372 1044933445 /nfs/dbraw/zinc/93/34/45/1044933445.db2.gz ZRPGFSAKTHJUBO-OAHLLOKOSA-N 0 3 327.415 4.132 20 30 EIEDHN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CCCC(C)(C)C#N ZINC000429007571 1045002834 /nfs/dbraw/zinc/00/28/34/1045002834.db2.gz VSSYPAUXMJULSB-CQSZACIVSA-N 0 3 337.870 4.320 20 30 EIEDHN CCCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](CC)c1ccccc1 ZINC000303657020 1045047857 /nfs/dbraw/zinc/04/78/57/1045047857.db2.gz VOTAIRGRXQBICO-PZJWPPBQSA-N 0 3 343.515 4.294 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2cccc(Cl)c2)c([O-])c1 ZINC000915115056 1045114378 /nfs/dbraw/zinc/11/43/78/1045114378.db2.gz UOGZLJQNVACBKK-MRUVXERFSA-N 0 3 346.858 4.044 20 30 EIEDHN CC[C@@H]1CCCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000739926328 1045175586 /nfs/dbraw/zinc/17/55/86/1045175586.db2.gz DEWOJOIDEKACDY-CABCVRRESA-N 0 3 341.480 4.127 20 30 EIEDHN C=CC[C@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccncc1 ZINC000766017713 1045179624 /nfs/dbraw/zinc/17/96/24/1045179624.db2.gz CFTRGMNOAKVBQK-BEFAXECRSA-N 0 3 337.423 4.006 20 30 EIEDHN C=CC[C@@H](N[C@@H](C)c1ccc(OCCOC)cc1)c1ccncc1 ZINC000766018213 1045192786 /nfs/dbraw/zinc/19/27/86/1045192786.db2.gz GPBSMTFYHYYKQE-OXJNMPFZSA-N 0 3 326.440 4.075 20 30 EIEDHN C=CC[C@@H](N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccncc1 ZINC000766019130 1045211650 /nfs/dbraw/zinc/21/16/50/1045211650.db2.gz KDVWRPNEUKWOTH-MAUKXSAKSA-N 0 3 326.440 4.375 20 30 EIEDHN C=CC[C@H](N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccncc1 ZINC000766019134 1045212187 /nfs/dbraw/zinc/21/21/87/1045212187.db2.gz KDVWRPNEUKWOTH-YJBOKZPZSA-N 0 3 326.440 4.375 20 30 EIEDHN Cc1ccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1C ZINC000611252103 1045264751 /nfs/dbraw/zinc/26/47/51/1045264751.db2.gz DJOHFAMQCJBTOZ-CQSZACIVSA-N 0 3 339.395 4.298 20 30 EIEDHN CN(Cc1cccc(C#N)c1F)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611371289 1045290318 /nfs/dbraw/zinc/29/03/18/1045290318.db2.gz JEUCGCKNZYSTIX-PZJWPPBQSA-N 0 3 338.426 4.297 20 30 EIEDHN C=CCCCCCN(CCO)Cc1ccc(Br)s1 ZINC001169969733 1045546185 /nfs/dbraw/zinc/54/61/85/1045546185.db2.gz ADRRJWMGTWVMHO-UHFFFAOYSA-N 0 3 332.307 4.051 20 30 EIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc2c(c1)CCC(=O)N2C ZINC000791569626 1045758530 /nfs/dbraw/zinc/75/85/30/1045758530.db2.gz WNIYXFJWUYHWJH-UHFFFAOYSA-N 0 3 334.463 4.174 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\CCO[C@@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000915978514 1045849234 /nfs/dbraw/zinc/84/92/34/1045849234.db2.gz HOPNUVQQEXYLAV-AWKYKOFISA-N 0 3 332.488 4.253 20 30 EIEDHN N#CC(C(=O)C=CSCc1ccco1)c1nccc2ccccc21 ZINC000792100347 1045856710 /nfs/dbraw/zinc/85/67/10/1045856710.db2.gz DPACBOCOUNTROB-SDMNGIDPSA-N 0 3 334.400 4.451 20 30 EIEDHN CC[C@H](Oc1ccccc1F)C(=O)C(C#N)c1nccc2ccccc21 ZINC000792106028 1045858428 /nfs/dbraw/zinc/85/84/28/1045858428.db2.gz OXEIKGJJRJKMLN-WMZOPIPTSA-N 0 3 348.377 4.408 20 30 EIEDHN N#CC(C(=O)CCCOCc1ccccc1)c1nccc2ccccc21 ZINC000792107545 1045859924 /nfs/dbraw/zinc/85/99/24/1045859924.db2.gz WNJPWRXPKRGGCP-HXUWFJFHSA-N 0 3 344.414 4.408 20 30 EIEDHN O[C@H](C[C@H]1CCCCCN1CC#Cc1ccccc1)c1cccs1 ZINC000792239648 1045880490 /nfs/dbraw/zinc/88/04/90/1045880490.db2.gz CYBOKXMQNOEXSX-WOJBJXKFSA-N 0 3 339.504 4.468 20 30 EIEDHN O[C@@H](C[C@H]1CCCCCN1CC#Cc1ccccc1)c1cccs1 ZINC000792239646 1045880893 /nfs/dbraw/zinc/88/08/93/1045880893.db2.gz CYBOKXMQNOEXSX-UXHICEINSA-N 0 3 339.504 4.468 20 30 EIEDHN N#Cc1ccc(OC2CCN(Cc3cncc4ccccc43)CC2)cc1 ZINC000769325940 1045923148 /nfs/dbraw/zinc/92/31/48/1045923148.db2.gz DNVYTALYVHEFQK-UHFFFAOYSA-N 0 3 343.430 4.150 20 30 EIEDHN CN(Cc1cc2ccccc2o1)Cc1ccc(N(C)CCC#N)cc1 ZINC000769498607 1045998673 /nfs/dbraw/zinc/99/86/73/1045998673.db2.gz MSVFMKPFUVVKOY-UHFFFAOYSA-N 0 3 333.435 4.415 20 30 EIEDHN N#CC1(c2ccccc2)CCC(NCc2nc3ccccc3o2)CC1 ZINC001170355611 1046010317 /nfs/dbraw/zinc/01/03/17/1046010317.db2.gz MEELBGUEZNBRJK-UHFFFAOYSA-N 0 3 331.419 4.322 20 30 EIEDHN N#Cc1ccccc1-c1ccc(CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000611578979 1046192846 /nfs/dbraw/zinc/19/28/46/1046192846.db2.gz GPZWIFUBJLRLPS-SFHVURJKSA-N 0 3 342.389 4.429 20 30 EIEDHN CN(CCC#N)c1ccc(CN2CCC(CC(F)(F)F)CC2)cc1 ZINC000793620892 1046315669 /nfs/dbraw/zinc/31/56/69/1046315669.db2.gz SMMBMBRUPZOFBZ-UHFFFAOYSA-N 0 3 339.405 4.201 20 30 EIEDHN C=CCN(CCc1ccccc1)Cc1cccc(Br)n1 ZINC000794306185 1046396548 /nfs/dbraw/zinc/39/65/48/1046396548.db2.gz QXNWRYUHLLPSSQ-UHFFFAOYSA-N 0 3 331.257 4.075 20 30 EIEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCC1CCCC1 ZINC000916900319 1046427034 /nfs/dbraw/zinc/42/70/34/1046427034.db2.gz NVHMOJNVKPDUBM-SFHVURJKSA-N 0 3 340.467 4.429 20 30 EIEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000916907114 1046454793 /nfs/dbraw/zinc/45/47/93/1046454793.db2.gz UQEOLYOQIQSZLD-DZGCQCFKSA-N 0 3 340.810 4.181 20 30 EIEDHN C=C(C)COc1cc(CN2CCC(OC(C)C)CC2)ccc1OC ZINC000536647716 1046611015 /nfs/dbraw/zinc/61/10/15/1046611015.db2.gz NKVDKIILDFERBD-UHFFFAOYSA-N 0 3 333.472 4.040 20 30 EIEDHN CN(CCc1ccc(Br)cc1)Cc1cc(C#N)cs1 ZINC000536683420 1046684202 /nfs/dbraw/zinc/68/42/02/1046684202.db2.gz PXBBLEPCHRWUPU-UHFFFAOYSA-N 0 3 335.270 4.057 20 30 EIEDHN N#C[C@H]1CCC[C@@H]1NCCCCOc1cccc(C(F)(F)F)c1 ZINC000459456584 1046689451 /nfs/dbraw/zinc/68/94/51/1046689451.db2.gz CBXCJWLXUDJSCN-CJNGLKHVSA-N 0 3 326.362 4.146 20 30 EIEDHN CCCCCN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)C ZINC000917099936 1046709634 /nfs/dbraw/zinc/70/96/34/1046709634.db2.gz GKZOEWMMQZWBCL-OAHLLOKOSA-N 0 3 343.496 4.373 20 30 EIEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000747205095 1046726054 /nfs/dbraw/zinc/72/60/54/1046726054.db2.gz PKPDGTNKWVOYAG-ZFWWWQNUSA-N 0 3 330.478 4.436 20 30 EIEDHN C[C@H](OC(=O)c1cccc(CN2CCCC2)c1)c1ccc(C#N)cc1 ZINC000785714018 1046743048 /nfs/dbraw/zinc/74/30/48/1046743048.db2.gz PWWFSDVLFPGKPX-INIZCTEOSA-N 0 3 334.419 4.072 20 30 EIEDHN C[C@H](OC(=O)c1cccc(CN2CCCC2)c1)c1cccc(C#N)c1 ZINC000785713668 1046744278 /nfs/dbraw/zinc/74/42/78/1046744278.db2.gz IPMOWHCIRODMHH-INIZCTEOSA-N 0 3 334.419 4.072 20 30 EIEDHN Cc1cccc(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)c1C ZINC000917406173 1046873373 /nfs/dbraw/zinc/87/33/73/1046873373.db2.gz JEBFTBCZIFYOLT-OAHLLOKOSA-N 0 3 349.459 4.226 20 30 EIEDHN Cc1ccc([C@@H](C)NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000537027872 1046904791 /nfs/dbraw/zinc/90/47/91/1046904791.db2.gz SMGAOPPLFSUGPR-LJQANCHMSA-N 0 3 349.478 4.209 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420473 1047004437 /nfs/dbraw/zinc/00/44/37/1047004437.db2.gz HQFWLIYABNZAME-SWLSCSKDSA-N 0 3 326.362 4.140 20 30 EIEDHN C[C@@H]1C[C@H]1c1ccc(CNCCSCc2ccccc2C#N)o1 ZINC000537215436 1047032549 /nfs/dbraw/zinc/03/25/49/1047032549.db2.gz FMMCNPBPWMYIGG-RDTXWAMCSA-N 0 3 326.465 4.298 20 30 EIEDHN CSC1(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000789348470 1047400561 /nfs/dbraw/zinc/40/05/61/1047400561.db2.gz QWDJTVSOIOWRIA-ZDUSSCGKSA-N 0 3 328.462 4.190 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000154695032 1047407450 /nfs/dbraw/zinc/40/74/50/1047407450.db2.gz SNYPAZNEXIWWRP-MGPUTAFESA-N 0 3 342.389 4.423 20 30 EIEDHN FC(F)(F)C1(C(F)(F)F)CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000556124901 1047466236 /nfs/dbraw/zinc/46/62/36/1047466236.db2.gz DIELKQMRYLHEPK-MRVPVSSYSA-N 0 3 325.243 4.239 20 30 EIEDHN C=C[C@@H](CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000533912702 1047483460 /nfs/dbraw/zinc/48/34/60/1047483460.db2.gz VQNFMTITGKHAQI-RBBKRZOGSA-N 0 3 348.490 4.127 20 30 EIEDHN C=CCN(C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)C(C)C ZINC000919656011 1047929153 /nfs/dbraw/zinc/92/91/53/1047929153.db2.gz DROHCAYKWUPHCV-FQEVSTJZSA-N 0 3 343.515 4.066 20 30 EIEDHN C=CCc1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c([O-])c(OC)c1 ZINC000844256938 1048270657 /nfs/dbraw/zinc/27/06/57/1048270657.db2.gz AMTXHEYCTAUPOJ-HXUWFJFHSA-N 0 3 337.463 4.336 20 30 EIEDHN C=CCc1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c([O-])c(OC)c1 ZINC000844256938 1048270668 /nfs/dbraw/zinc/27/06/68/1048270668.db2.gz AMTXHEYCTAUPOJ-HXUWFJFHSA-N 0 3 337.463 4.336 20 30 EIEDHN C[C@@H](c1ccc(F)c(Cl)c1)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369965 1048294564 /nfs/dbraw/zinc/29/45/64/1048294564.db2.gz PBANUFPJFKXMSN-KPZWWZAWSA-N 0 3 332.806 4.077 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(C(C)(F)F)cc2)cc1 ZINC000815142169 1048363565 /nfs/dbraw/zinc/36/35/65/1048363565.db2.gz OJJHLJFJSAKYBC-CQSZACIVSA-N 0 3 330.378 4.379 20 30 EIEDHN CC(C)(C)Oc1ccc([C@H]2CCN(Cc3cncc(C#N)c3)C2)cc1 ZINC001144086375 1048403647 /nfs/dbraw/zinc/40/36/47/1048403647.db2.gz PQXCJMCQXFJAGP-IBGZPJMESA-N 0 3 335.451 4.120 20 30 EIEDHN C=C(C)COCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815596003 1048529625 /nfs/dbraw/zinc/52/96/25/1048529625.db2.gz HXCSZPZERNMWDS-HXUWFJFHSA-N 0 3 325.452 4.248 20 30 EIEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)C(C)(F)F ZINC000815922668 1048635336 /nfs/dbraw/zinc/63/53/36/1048635336.db2.gz WSPHUWHAZBLYER-ZWNOBZJWSA-N 0 3 345.374 4.149 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000810128159 1048640727 /nfs/dbraw/zinc/64/07/27/1048640727.db2.gz DFJZEQDURCIDCL-SJORKVTESA-N 0 3 347.462 4.487 20 30 EIEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000845442761 1048667239 /nfs/dbraw/zinc/66/72/39/1048667239.db2.gz PLVICVBXGXCPBH-OTWHNJEPSA-N 0 3 346.430 4.313 20 30 EIEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000845442760 1048667799 /nfs/dbraw/zinc/66/77/99/1048667799.db2.gz PLVICVBXGXCPBH-FHWLQOOXSA-N 0 3 346.430 4.313 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)N[C@@H](c1ccccc1)c1ccccn1 ZINC001171186596 1048678261 /nfs/dbraw/zinc/67/82/61/1048678261.db2.gz XDECUUWZVAWKOM-VGSWGCGISA-N 0 3 327.431 4.263 20 30 EIEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccc2c(c1)CCCO2 ZINC000810250477 1048729260 /nfs/dbraw/zinc/72/92/60/1048729260.db2.gz MSRWIYJFDMQJSO-IBGZPJMESA-N 0 3 336.435 4.133 20 30 EIEDHN CCC[C@H](C(=O)C(C#N)c1nc(C(C)C)cs1)c1ccccn1 ZINC000810606398 1048831464 /nfs/dbraw/zinc/83/14/64/1048831464.db2.gz WVRQYBNDDIZRLH-UONOGXRCSA-N 0 3 327.453 4.422 20 30 EIEDHN CC1CCN(c2ccc(CNCc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000817407384 1048960116 /nfs/dbraw/zinc/96/01/16/1048960116.db2.gz LVDTVBDGPPMLCO-UHFFFAOYSA-N 0 3 337.442 4.223 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817412015 1048964524 /nfs/dbraw/zinc/96/45/24/1048964524.db2.gz BDDVNEYUHYWQNY-ZFWWWQNUSA-N 0 3 326.362 4.142 20 30 EIEDHN CCC[C@H](C)[C@H]1CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000135345713 1049124680 /nfs/dbraw/zinc/12/46/80/1049124680.db2.gz WRAYENQMRQUXJY-DOTOQJQBSA-N 0 3 345.512 4.141 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000772983457 1049196434 /nfs/dbraw/zinc/19/64/34/1049196434.db2.gz KINBHJUSJRSAHD-DNVCBOLYSA-N 0 3 336.435 4.153 20 30 EIEDHN C#CCOc1ccccc1CN[C@@H](CC)c1ccc2c(c1)CCCO2 ZINC000772987583 1049272045 /nfs/dbraw/zinc/27/20/45/1049272045.db2.gz LFLDCNKHTFSZDJ-FQEVSTJZSA-N 0 3 335.447 4.265 20 30 EIEDHN CCC[C@H](NCc1ccc(OC)c(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000773076732 1049565416 /nfs/dbraw/zinc/56/54/16/1049565416.db2.gz OPGHIYPJCZYATM-SFHVURJKSA-N 0 3 339.395 4.106 20 30 EIEDHN C#C[C@H](NC1CCN(c2ccc(F)cc2F)CC1)c1ccc(F)cc1 ZINC000812793832 1049592748 /nfs/dbraw/zinc/59/27/48/1049592748.db2.gz HBJYSSICYUPJBQ-IBGZPJMESA-N 0 3 344.380 4.037 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000237581012 1049632142 /nfs/dbraw/zinc/63/21/42/1049632142.db2.gz OZWKWOQBFNHQNY-KGLIPLIRSA-N 0 3 346.377 4.430 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000237702372 1049707594 /nfs/dbraw/zinc/70/75/94/1049707594.db2.gz GPIRCLZRPXTAKL-ZDUSSCGKSA-N 0 3 334.341 4.286 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000237704050 1049708177 /nfs/dbraw/zinc/70/81/77/1049708177.db2.gz LSKBBYAKVTUAFQ-KBPBESRZSA-N 0 3 346.377 4.430 20 30 EIEDHN CC[C@@H]1C[C@H](NCC2(C#N)CCC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171810986 1049809357 /nfs/dbraw/zinc/80/93/57/1049809357.db2.gz FMDAQGKBJTZHGU-BJWYYQGGSA-N 0 3 349.519 4.227 20 30 EIEDHN C=CC[C@H]1CCCN(CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)C1 ZINC001171842150 1049812198 /nfs/dbraw/zinc/81/21/98/1049812198.db2.gz ZLASBTWCSJZVAS-YJBOKZPZSA-N 0 3 334.891 4.195 20 30 EIEDHN Cc1ccccc1[C@@H](NCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000180090140 1049842315 /nfs/dbraw/zinc/84/23/15/1049842315.db2.gz RXNXTJOPILUNFF-QGZVFWFLSA-N 0 3 341.480 4.244 20 30 EIEDHN CCCCN(CCC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172094057 1049849082 /nfs/dbraw/zinc/84/90/82/1049849082.db2.gz JDVYKWRJAYQHDE-BCDXTJNWSA-N 0 3 349.519 4.323 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC001172302006 1049873000 /nfs/dbraw/zinc/87/30/00/1049873000.db2.gz BVZUZKYJEAEQJE-VGSWGCGISA-N 0 3 327.431 4.263 20 30 EIEDHN C[C@H](CCCC#N)N1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001172499358 1049922921 /nfs/dbraw/zinc/92/29/21/1049922921.db2.gz CZLMONIWGXTAQW-GOSISDBHSA-N 0 3 327.516 4.184 20 30 EIEDHN C[C@H](Cc1ccc(OC(F)(F)F)cc1)NC1(CC#N)CCCC1 ZINC001173091034 1050283930 /nfs/dbraw/zinc/28/39/30/1050283930.db2.gz OKGUWZBAHRFTPA-CYBMUJFWSA-N 0 3 326.362 4.332 20 30 EIEDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(C#N)(c2ccccc2)CC1 ZINC001173226593 1050358029 /nfs/dbraw/zinc/35/80/29/1050358029.db2.gz MTHVBRQQMJKMCA-KRWDZBQOSA-N 0 3 349.434 4.083 20 30 EIEDHN C=C(C)COCCNCc1ccccc1Oc1ccc(C)cc1OC ZINC001178148306 1050389451 /nfs/dbraw/zinc/38/94/51/1050389451.db2.gz MUBSWEKBBBFECU-UHFFFAOYSA-N 0 3 341.451 4.478 20 30 EIEDHN C=CCOC1CCC(N2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001173322223 1050414427 /nfs/dbraw/zinc/41/44/27/1050414427.db2.gz ZCIPDSMAIYQBLE-AOMIVXANSA-N 0 3 336.479 4.407 20 30 EIEDHN CC[C@@H](N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(C#N)cc1 ZINC000618569071 1050417869 /nfs/dbraw/zinc/41/78/69/1050417869.db2.gz CZNKROVZTAXGFQ-RTWAWAEBSA-N 0 3 330.435 4.237 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618805306 1050532990 /nfs/dbraw/zinc/53/29/90/1050532990.db2.gz GAIPHZGJGTXYMP-VQTJNVASSA-N 0 3 333.391 4.121 20 30 EIEDHN CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(OC)c(OC)c1 ZINC000618803297 1050534045 /nfs/dbraw/zinc/53/40/45/1050534045.db2.gz SKZIIQWEGIQGRI-RBUKOAKNSA-N 0 3 336.435 4.304 20 30 EIEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(OC(F)F)c1 ZINC000618807414 1050535125 /nfs/dbraw/zinc/53/51/25/1050535125.db2.gz UKFLKAJIVAXACH-XIKOKIGWSA-N 0 3 328.362 4.498 20 30 EIEDHN CC(C)(C)OC(=O)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618831261 1050546314 /nfs/dbraw/zinc/54/63/14/1050546314.db2.gz CYGOGFFYRFGRFM-HXUWFJFHSA-N 0 3 348.446 4.291 20 30 EIEDHN CC1(C)C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000618988314 1050622157 /nfs/dbraw/zinc/62/21/57/1050622157.db2.gz PILCPRGIAALSPN-UXHICEINSA-N 0 3 347.418 4.466 20 30 EIEDHN CC(C)(F)CNCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC001179316477 1050673449 /nfs/dbraw/zinc/67/34/49/1050673449.db2.gz WYYZTLJUHFVXCC-NSHDSACASA-N 0 3 347.274 4.396 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@H](c3nccn3C)C2)cc1Cl ZINC000446854927 1050752183 /nfs/dbraw/zinc/75/21/83/1050752183.db2.gz DOSWSVXAYJWWTG-INIZCTEOSA-N 0 3 345.874 4.018 20 30 EIEDHN C[C@@H](N[C@@H]1CCCc2nn(-c3ccccc3)cc21)c1cccc(C#N)c1 ZINC000619465698 1050789080 /nfs/dbraw/zinc/78/90/80/1050789080.db2.gz NLXGNFWZYZGGKB-IIBYNOLFSA-N 0 3 342.446 4.472 20 30 EIEDHN COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000619755631 1050882822 /nfs/dbraw/zinc/88/28/22/1050882822.db2.gz OARSBQPTGMBFTR-IBGZPJMESA-N 0 3 326.827 4.387 20 30 EIEDHN CN(C)[C@H]1CCOc2c(Nc3ccc(Cl)c(C#N)c3)cccc21 ZINC001174404241 1050977511 /nfs/dbraw/zinc/97/75/11/1050977511.db2.gz JMYUHFGDMWANLD-KRWDZBQOSA-N 0 3 327.815 4.340 20 30 EIEDHN CC[C@@H]1c2ccsc2CCN1CCC(=O)Nc1sccc1C#N ZINC000198432404 1050979625 /nfs/dbraw/zinc/97/96/25/1050979625.db2.gz DSMCSTVWUMPJAB-CQSZACIVSA-N 0 3 345.493 4.019 20 30 EIEDHN C#CCN(C[C@H](O)c1ccc(F)cc1Cl)[C@@H]1CCc2ccccc21 ZINC001190528960 1051207294 /nfs/dbraw/zinc/20/72/94/1051207294.db2.gz OXMOWMLLRHFBRD-UXHICEINSA-N 0 3 343.829 4.135 20 30 EIEDHN N#Cc1cccc(C2(NC[C@@H](O)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000775430359 1051340443 /nfs/dbraw/zinc/34/04/43/1051340443.db2.gz OPRUPMDSAOGTDN-QGZVFWFLSA-N 0 3 347.245 4.177 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC(C(F)(F)F)CC1 ZINC000774036594 1051427286 /nfs/dbraw/zinc/42/72/86/1051427286.db2.gz XTCREOSDRLXICP-BPCQOVAHSA-N 0 3 349.356 4.118 20 30 EIEDHN CCCCN(CC)[C@@H](C(=O)N[C@@](C)(C#N)CC(C)C)c1ccccc1 ZINC001182234834 1051432435 /nfs/dbraw/zinc/43/24/35/1051432435.db2.gz GPJROZXWYQAHKE-TZIWHRDSSA-N 0 3 343.515 4.294 20 30 EIEDHN C[C@H](NCc1ccccc1C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000271799605 1051552719 /nfs/dbraw/zinc/55/27/19/1051552719.db2.gz JWKCTVIODPEJBS-ZDUSSCGKSA-N 0 3 334.341 4.459 20 30 EIEDHN CCSCC[C@@H](C)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001191977036 1051606074 /nfs/dbraw/zinc/60/60/74/1051606074.db2.gz MGJBVMIBNZVUQO-CQSZACIVSA-N 0 3 345.430 4.400 20 30 EIEDHN CCSCC[C@H](C)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001191977035 1051606805 /nfs/dbraw/zinc/60/68/05/1051606805.db2.gz MGJBVMIBNZVUQO-AWEZNQCLSA-N 0 3 345.430 4.400 20 30 EIEDHN CC(C)(C#N)c1ccc(NC2=CCN(Cc3ccccc3)CC2)cn1 ZINC001175505188 1051637493 /nfs/dbraw/zinc/63/74/93/1051637493.db2.gz QVZIWZFUOWTADP-UHFFFAOYSA-N 0 3 332.451 4.084 20 30 EIEDHN N#Cc1ccc(F)c(F)c1N=C1CCN(Cc2ccccc2)CC1 ZINC001175506652 1051640312 /nfs/dbraw/zinc/64/03/12/1051640312.db2.gz APBWDKCLZHROQG-UHFFFAOYSA-N 0 3 325.362 4.038 20 30 EIEDHN N#Cc1ccc(F)c(F)c1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506652 1051640317 /nfs/dbraw/zinc/64/03/17/1051640317.db2.gz APBWDKCLZHROQG-UHFFFAOYSA-N 0 3 325.362 4.038 20 30 EIEDHN Cc1cccc([C@@H](O)CN(Cc2ccccc2)CC2(CC#N)CC2)c1 ZINC001192173277 1051646159 /nfs/dbraw/zinc/64/61/59/1051646159.db2.gz HTNRWMQIRNFFJL-NRFANRHFSA-N 0 3 334.463 4.225 20 30 EIEDHN CCN1CCN(c2ccc(Nc3cc(Cl)ccc3C#N)cc2)CC1 ZINC001175782370 1051784589 /nfs/dbraw/zinc/78/45/89/1051784589.db2.gz SVIBBQQYEPRNCZ-UHFFFAOYSA-N 0 3 340.858 4.097 20 30 EIEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)cc3Cl)cc2)CC1 ZINC001175782931 1051785082 /nfs/dbraw/zinc/78/50/82/1051785082.db2.gz YVIBHDCCCATJJN-UHFFFAOYSA-N 0 3 340.858 4.097 20 30 EIEDHN C=C(C)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001193574235 1051948741 /nfs/dbraw/zinc/94/87/41/1051948741.db2.gz FDXSPBVARVPWFX-SFHVURJKSA-N 0 3 348.349 4.159 20 30 EIEDHN CC(C)(C#N)c1ccc(CN2CCO[C@H](c3ccccc3)CC2)cc1 ZINC001184349453 1051997168 /nfs/dbraw/zinc/99/71/68/1051997168.db2.gz AFTDYBYQIYUYEH-NRFANRHFSA-N 0 3 334.463 4.451 20 30 EIEDHN C#CCN(C[C@@H]1COC2(CCCCC2)O1)[C@H]1CCCc2ccccc21 ZINC001176454137 1052078133 /nfs/dbraw/zinc/07/81/33/1052078133.db2.gz ZPNWZDSLLFMCOL-CTNGQTDRSA-N 0 3 339.479 4.075 20 30 EIEDHN Cc1cccc(C2=CCN(Cc3ccc(OCC#N)cc3)CC2)c1C ZINC001176856673 1052204064 /nfs/dbraw/zinc/20/40/64/1052204064.db2.gz PYSNJFBVTSJSHU-UHFFFAOYSA-N 0 3 332.447 4.495 20 30 EIEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000072605859 1052497175 /nfs/dbraw/zinc/49/71/75/1052497175.db2.gz WRVLDFFKJOZINI-SJORKVTESA-N 0 3 338.455 4.303 20 30 EIEDHN C=CCOc1cccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000175986432 1052603376 /nfs/dbraw/zinc/60/33/76/1052603376.db2.gz KSBNUDJKPQLZSZ-UHFFFAOYSA-N 0 3 326.396 4.185 20 30 EIEDHN C=CCOc1c(Cl)cc(CNCc2cccc(OC)c2)cc1OC ZINC000623340596 1052625807 /nfs/dbraw/zinc/62/58/07/1052625807.db2.gz POKRSZVZWRKSGB-UHFFFAOYSA-N 0 3 347.842 4.212 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(OC(C)C)cc2)c1 ZINC000073011901 1052671328 /nfs/dbraw/zinc/67/13/28/1052671328.db2.gz SEOYQXPEDLJERD-LJQANCHMSA-N 0 3 338.451 4.445 20 30 EIEDHN C=CCC[C@H](NCC(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 ZINC000180042504 1052774705 /nfs/dbraw/zinc/77/47/05/1052774705.db2.gz KVBRRWHPSHYAAO-FQEVSTJZSA-N 0 3 336.435 4.125 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)c2ccccc2)cc1 ZINC000119602802 1053074262 /nfs/dbraw/zinc/07/42/62/1053074262.db2.gz WWNCHMYDQMRKAR-LJQANCHMSA-N 0 3 348.446 4.264 20 30 EIEDHN CCCCCCCCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000775622758 1053209808 /nfs/dbraw/zinc/20/98/08/1053209808.db2.gz HKSWNUVTAVISPW-KRWDZBQOSA-N 0 3 341.492 4.384 20 30 EIEDHN CC(C)(C)C[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1(C)C ZINC001195064797 1053252245 /nfs/dbraw/zinc/25/22/45/1053252245.db2.gz MAVRDJMLDAYHAX-MRXNPFEDSA-N 0 3 327.472 4.033 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3c(F)cccc3F)nc21 ZINC000764650833 1053255769 /nfs/dbraw/zinc/25/57/69/1053255769.db2.gz WXLXDKCBCSUVOY-NWDGAFQWSA-N 0 3 339.345 4.130 20 30 EIEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H](C)c3c(F)cccc3F)[nH]c21 ZINC000764650833 1053255789 /nfs/dbraw/zinc/25/57/89/1053255789.db2.gz WXLXDKCBCSUVOY-NWDGAFQWSA-N 0 3 339.345 4.130 20 30 EIEDHN CC[C@@H]1CN(c2ccccc2)CCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000764679837 1053266194 /nfs/dbraw/zinc/26/61/94/1053266194.db2.gz XCTGGTVQLLKRET-AZUAARDMSA-N 0 3 349.478 4.078 20 30 EIEDHN CCN(CCOc1ccccc1C)Cc1cc(Cl)cc(C#N)c1 ZINC001195321952 1053359611 /nfs/dbraw/zinc/35/96/11/1053359611.db2.gz CLPPOHYODFJDEX-UHFFFAOYSA-N 0 3 328.843 4.421 20 30 EIEDHN C[C@@]1(Cc2ccc(F)cc2)CCCN1Cc1ccc(F)cc1C#N ZINC001195289589 1053365067 /nfs/dbraw/zinc/36/50/67/1053365067.db2.gz PKPSUHWTODXSLB-FQEVSTJZSA-N 0 3 326.390 4.434 20 30 EIEDHN CN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)c2ccccc2C1 ZINC000552059624 1053372406 /nfs/dbraw/zinc/37/24/06/1053372406.db2.gz OLTLMGJZEXJAFE-UHFFFAOYSA-N 0 3 345.368 4.029 20 30 EIEDHN C#CCOc1ccc([C@H](C)NCc2ccccc2COCCC)cc1 ZINC000765090376 1053436496 /nfs/dbraw/zinc/43/64/96/1053436496.db2.gz PZFMYOBDVUTYND-SFHVURJKSA-N 0 3 337.463 4.476 20 30 EIEDHN C#CCOc1ccc([C@@H](C)NCc2ccccc2COCCC)cc1 ZINC000765090375 1053436930 /nfs/dbraw/zinc/43/69/30/1053436930.db2.gz PZFMYOBDVUTYND-GOSISDBHSA-N 0 3 337.463 4.476 20 30 EIEDHN C=CCSc1nc2ccccc2n1CN1CCC(C(F)F)CC1 ZINC000765147048 1053451903 /nfs/dbraw/zinc/45/19/03/1053451903.db2.gz VDYSCWYDKCVZMI-UHFFFAOYSA-N 0 3 337.439 4.249 20 30 EIEDHN N#CCc1cccc2c1CCN(C[C@@H]1CCC3(CCCCCC3)O1)C2 ZINC001196622012 1053715900 /nfs/dbraw/zinc/71/59/00/1053715900.db2.gz BIVJXGYZOWLTDZ-FQEVSTJZSA-N 0 3 338.495 4.383 20 30 EIEDHN CN(CCCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC001196827877 1053782735 /nfs/dbraw/zinc/78/27/35/1053782735.db2.gz BTMYPFPNOIOVRY-WMLDXEAASA-N 0 3 340.389 4.488 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866581633 1053793987 /nfs/dbraw/zinc/79/39/87/1053793987.db2.gz JMUKVDCDQNQFMK-CQSZACIVSA-N 0 3 336.439 4.149 20 30 EIEDHN CC(C)c1ccc([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccccn2)cc1 ZINC000121861662 1053854086 /nfs/dbraw/zinc/85/40/86/1053854086.db2.gz BDTMVSVHJUWESL-CRAIPNDOSA-N 0 3 349.434 4.046 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3ncccc3c2)c1 ZINC000113961707 1054033596 /nfs/dbraw/zinc/03/35/96/1054033596.db2.gz KAXMXBPDOQKNEV-LJQANCHMSA-N 0 3 331.419 4.206 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc(OC(C)C)c2)c1 ZINC000113961479 1054033648 /nfs/dbraw/zinc/03/36/48/1054033648.db2.gz WQVMGAPPDXVCLZ-IBGZPJMESA-N 0 3 338.451 4.445 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(SC)cc2)c1 ZINC000113960780 1054033744 /nfs/dbraw/zinc/03/37/44/1054033744.db2.gz SOTVSWQNHUFGCV-QGZVFWFLSA-N 0 3 326.465 4.379 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3ncccc3c2)c1 ZINC000113961705 1054034135 /nfs/dbraw/zinc/03/41/35/1054034135.db2.gz KAXMXBPDOQKNEV-IBGZPJMESA-N 0 3 331.419 4.206 20 30 EIEDHN CC(C)(C(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCCCO1 ZINC000870124657 1054063621 /nfs/dbraw/zinc/06/36/21/1054063621.db2.gz ZAVLBVPYDDDYEA-SWLSCSKDSA-N 0 3 328.437 4.068 20 30 EIEDHN CCS[C@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)C(C)C ZINC000114619317 1054114559 /nfs/dbraw/zinc/11/45/59/1054114559.db2.gz KAUOYUHVBDWUJI-CJNGLKHVSA-N 0 3 345.493 4.159 20 30 EIEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](CO)c2ccccc2)cc1 ZINC000123663235 1054218845 /nfs/dbraw/zinc/21/88/45/1054218845.db2.gz HTBZLAVXDFUQIF-KXBFYZLASA-N 0 3 331.843 4.202 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(OCC#N)cc1 ZINC000872130157 1054405958 /nfs/dbraw/zinc/40/59/58/1054405958.db2.gz FNDNKFZRNMYBAF-OLZOCXBDSA-N 0 3 349.356 4.415 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(Cl)c(OC)c2)c1 ZINC000858137167 1054421151 /nfs/dbraw/zinc/42/11/51/1054421151.db2.gz ICCOMALERQEXLR-MRXNPFEDSA-N 0 3 344.842 4.319 20 30 EIEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3c[nH]c4c3cccc4F)C2)cc1 ZINC001137060372 1054450085 /nfs/dbraw/zinc/45/00/85/1054450085.db2.gz PSIGVTMUDCIQIS-SFHVURJKSA-N 0 3 349.409 4.222 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCc4c3cccc4Cl)nc21 ZINC000776090628 1054537708 /nfs/dbraw/zinc/53/77/08/1054537708.db2.gz ODJDDWISAHXRSP-LSDHHAIUSA-N 0 3 349.821 4.431 20 30 EIEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CCc4c3cccc4Cl)[nH]c21 ZINC000776090628 1054537726 /nfs/dbraw/zinc/53/77/26/1054537726.db2.gz ODJDDWISAHXRSP-LSDHHAIUSA-N 0 3 349.821 4.431 20 30 EIEDHN C=CCN1CCC(Nc2nccc3ccc(Br)cc32)CC1 ZINC000825721241 1054643868 /nfs/dbraw/zinc/64/38/68/1054643868.db2.gz MDUYGRKMPYYZHV-UHFFFAOYSA-N 0 3 346.272 4.060 20 30 EIEDHN C=CCc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(OC)c1OC ZINC000776164536 1054780115 /nfs/dbraw/zinc/78/01/15/1054780115.db2.gz SOXDBQICWWPRKE-HNNXBMFYSA-N 0 3 336.435 4.155 20 30 EIEDHN Cc1nsc(N=C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1C#N ZINC001201470202 1054811631 /nfs/dbraw/zinc/81/16/31/1054811631.db2.gz MWHQKRYDTHBKFJ-SJORKVTESA-N 0 3 336.464 4.056 20 30 EIEDHN N#CC(C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1nc2ccccc2[nH]1 ZINC000860450197 1054814296 /nfs/dbraw/zinc/81/42/96/1054814296.db2.gz OIVDTSURLQONPW-BRWVUGGUSA-N 0 3 329.403 4.323 20 30 EIEDHN N#Cc1cccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1F ZINC001201475100 1054829449 /nfs/dbraw/zinc/82/94/49/1054829449.db2.gz SDPCRCOBXRPPJE-MOPGFXCFSA-N 0 3 333.410 4.430 20 30 EIEDHN N#Cc1cccc(C#N)c1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201475046 1054830019 /nfs/dbraw/zinc/83/00/19/1054830019.db2.gz QORGSWGZGHUSTI-RTWAWAEBSA-N 0 3 340.430 4.163 20 30 EIEDHN CCCCCCCCN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001201814409 1054912579 /nfs/dbraw/zinc/91/25/79/1054912579.db2.gz OYYTUTCZTJLAMK-LJQANCHMSA-N 0 3 333.520 4.102 20 30 EIEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1CC[C@@H](C)CCC=C(C)C ZINC001201970764 1054972213 /nfs/dbraw/zinc/97/22/13/1054972213.db2.gz BHQXRQLRIUOJBX-AZUAARDMSA-N 0 3 345.531 4.295 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(C)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000877902891 1055149216 /nfs/dbraw/zinc/14/92/16/1055149216.db2.gz HVKCIQFAWDGFHB-GOTSBHOMSA-N 0 3 346.474 4.436 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(Cc1ccccc1)C(C)C)c1ccccc1 ZINC000877950342 1055160826 /nfs/dbraw/zinc/16/08/26/1055160826.db2.gz JYOXZXFMRMUMBJ-JOCHJYFZSA-N 0 3 334.463 4.338 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(C)CCCCc1ccccc1)c1ccccc1 ZINC000877971897 1055165450 /nfs/dbraw/zinc/16/54/50/1055165450.db2.gz SEQYHLHBSSQBAW-HSZRJFAPSA-N 0 3 348.490 4.382 20 30 EIEDHN C#CCOc1ccc(CNCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC001202467091 1055183566 /nfs/dbraw/zinc/18/35/66/1055183566.db2.gz SRQWGRQJMGBCOE-UHFFFAOYSA-N 0 3 337.316 4.146 20 30 EIEDHN CN(Cc1cc(Cl)cc(Cl)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000127143626 1055320587 /nfs/dbraw/zinc/32/05/87/1055320587.db2.gz NKKHJHPAMRYSSS-KRWDZBQOSA-N 0 3 335.234 4.030 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc(OCC(F)F)c1 ZINC000921691762 1055868109 /nfs/dbraw/zinc/86/81/09/1055868109.db2.gz ILEDRWSOCGMIQE-UHFFFAOYSA-N 0 3 330.378 4.109 20 30 EIEDHN CN(C)[C@H](CNc1ccc(C#N)cc1C(F)(F)F)c1cccs1 ZINC000301170853 1055904000 /nfs/dbraw/zinc/90/40/00/1055904000.db2.gz JUAQQYGVVIEVAN-CQSZACIVSA-N 0 3 339.386 4.353 20 30 EIEDHN COc1ccc([C@@H]2C[C@@H](N(CCC#N)C3CCCC3)CCO2)cc1 ZINC001168653660 1056160820 /nfs/dbraw/zinc/16/08/20/1056160820.db2.gz NJGWTVGXRCHRQG-ICSRJNTNSA-N 0 3 328.456 4.074 20 30 EIEDHN C=CCCCN(C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000303701268 1056246143 /nfs/dbraw/zinc/24/61/43/1056246143.db2.gz BCRAHHLZBBDGCN-HXUWFJFHSA-N 0 3 343.515 4.067 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000554831535 1056342962 /nfs/dbraw/zinc/34/29/62/1056342962.db2.gz SNZIJFOYGZJMMF-MRXNPFEDSA-N 0 3 349.453 4.285 20 30 EIEDHN C[C@H]1CCc2c(C(=O)C(C#N)c3nc4ccccc4[nH]3)csc2C1 ZINC000060477118 1056459338 /nfs/dbraw/zinc/45/93/38/1056459338.db2.gz XZYMQJQEQNHTSI-AAEUAGOBSA-N 0 3 335.432 4.239 20 30 EIEDHN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934376 1056798382 /nfs/dbraw/zinc/79/83/82/1056798382.db2.gz IQGSSIKRLIRQNA-ULQDDVLXSA-N 0 3 349.478 4.179 20 30 EIEDHN C=CCc1cc(CN[C@H](C)c2cccc(F)c2)cc(OC)c1OC ZINC000743474561 1059025567 /nfs/dbraw/zinc/02/55/67/1059025567.db2.gz VJRGYZBRSUYEJH-CQSZACIVSA-N 0 3 329.415 4.422 20 30 EIEDHN C#CCN(CC1CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000743848456 1059146882 /nfs/dbraw/zinc/14/68/82/1059146882.db2.gz QPFZNHDNMNOVQP-INIZCTEOSA-N 0 3 334.257 4.008 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC2CCCC2)cc1 ZINC000744028649 1059215620 /nfs/dbraw/zinc/21/56/20/1059215620.db2.gz MZACOFLLNGUYCJ-GOSISDBHSA-N 0 3 326.440 4.257 20 30 EIEDHN N#Cc1ccc(-c2ccn(CN(CCc3ccccc3)C3CC3)n2)cc1 ZINC000746025672 1059969524 /nfs/dbraw/zinc/96/95/24/1059969524.db2.gz KJECVNWMSMTMHH-UHFFFAOYSA-N 0 3 342.446 4.086 20 30 EIEDHN C#C[C@@H](N[C@@H](C)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC001205990886 1060203377 /nfs/dbraw/zinc/20/33/77/1060203377.db2.gz XBQBYTWHTKKKBJ-SCLBCKFNSA-N 0 3 346.243 4.483 20 30 EIEDHN N#Cc1ccc(CNC[C@H](O)c2ccc(-c3ccccc3)cc2)c(F)c1 ZINC000766470476 1060374224 /nfs/dbraw/zinc/37/42/24/1060374224.db2.gz HNRTVZNLZHUXSZ-QFIPXVFZSA-N 0 3 346.405 4.188 20 30 EIEDHN CCCCCCCCN1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168958637 1060555606 /nfs/dbraw/zinc/55/56/06/1060555606.db2.gz XCVVTYQICQVNIJ-UHFFFAOYSA-N 0 3 346.515 4.090 20 30 EIEDHN C#Cc1ccc(NC(=O)CCN[C@@H](C)c2cc3ccccc3o2)cc1 ZINC001169307462 1060763701 /nfs/dbraw/zinc/76/37/01/1060763701.db2.gz VTKMULFJHFUQQO-HNNXBMFYSA-N 0 3 332.403 4.094 20 30 EIEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@H]2CCC(C)C)c1C#N ZINC001169364228 1060780591 /nfs/dbraw/zinc/78/05/91/1060780591.db2.gz CNXJGRNMIWOGNI-HNAYVOBHSA-N 0 3 328.456 4.039 20 30 EIEDHN COc1ccc2c(c1)nccc2N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767300211 1061186056 /nfs/dbraw/zinc/18/60/56/1061186056.db2.gz DMJBNZJGLYWCEI-UHFFFAOYSA-N 0 3 341.414 4.409 20 30 EIEDHN CCN1CCCC[C@H]1c1ccc(N(CCC#N)C2CCCC2)nc1 ZINC001165017265 721835945 /nfs/dbraw/zinc/83/59/45/721835945.db2.gz JRNKVZBEPIHXTL-IBGZPJMESA-N 0 3 326.488 4.291 20 30 EIEDHN CC(C)[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000610250190 1032421009 /nfs/dbraw/zinc/42/10/09/1032421009.db2.gz IVJPONMQWNIEDO-RXVVDRJESA-N 0 3 349.478 4.309 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000245764150 1032469217 /nfs/dbraw/zinc/46/92/17/1032469217.db2.gz QKCRALXISYWRLE-XLIONFOSSA-N 0 3 348.446 4.215 20 30 EIEDHN CN(CCC#N)c1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000237210461 1032851707 /nfs/dbraw/zinc/85/17/07/1032851707.db2.gz VUAHMKMJQICJCA-IBGZPJMESA-N 0 3 337.492 4.363 20 30 EIEDHN CC1(C)CN(CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]2CCC[C@H]21 ZINC000339709590 1019838521 /nfs/dbraw/zinc/83/85/21/1019838521.db2.gz DWEPXUOUIWAXAI-UYAOXDASSA-N 0 3 349.478 4.248 20 30 EIEDHN CN(CCCOc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC001167094023 1019902798 /nfs/dbraw/zinc/90/27/98/1019902798.db2.gz AVUPGGKQNSNFSK-UHFFFAOYSA-N 0 3 332.806 4.252 20 30 EIEDHN C#CCN(C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@H]1CCc2ccccc21 ZINC001167178769 1020487210 /nfs/dbraw/zinc/48/72/10/1020487210.db2.gz KJFWRCQXNQPHEF-RYQLBKOJSA-N 0 3 337.385 4.109 20 30 EIEDHN COc1cccc([C@@H](C)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000175641728 1020514360 /nfs/dbraw/zinc/51/43/60/1020514360.db2.gz DYXCTEWYAGWMAC-MRXNPFEDSA-N 0 3 336.435 4.171 20 30 EIEDHN CC(C)N(CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CCC1 ZINC000119700300 1020560597 /nfs/dbraw/zinc/56/05/97/1020560597.db2.gz XPXMFOLRRQMZRD-OAHLLOKOSA-N 0 3 345.512 4.140 20 30 EIEDHN Fc1ccc(C#CCNC2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000120919967 1020866632 /nfs/dbraw/zinc/86/66/32/1020866632.db2.gz LEUBRKRZMWJGRK-UHFFFAOYSA-N 0 3 343.829 4.126 20 30 EIEDHN N#CC1(CCCN2CCC[C@@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000375612959 1020929865 /nfs/dbraw/zinc/92/98/65/1020929865.db2.gz PFYMDJDHEPAPOG-GOSISDBHSA-N 0 3 334.410 4.202 20 30 EIEDHN C[C@H](NCc1ccc(OCc2ccncc2)cc1)c1cccc(C#N)c1 ZINC000610344671 1021345111 /nfs/dbraw/zinc/34/51/11/1021345111.db2.gz DKRWBZWVUXBFPK-KRWDZBQOSA-N 0 3 343.430 4.383 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000187594004 1021707684 /nfs/dbraw/zinc/70/76/84/1021707684.db2.gz GOVCMURPUTYCKT-ZBFHGGJFSA-N 0 3 342.389 4.245 20 30 EIEDHN C[C@H](c1ccncc1)N1CCC(/N=C\c2cc(Cl)ccc2O)CC1 ZINC000255181558 1021773561 /nfs/dbraw/zinc/77/35/61/1021773561.db2.gz RFXIDEHIOIAYTK-BXSODOALSA-N 0 3 343.858 4.085 20 30 EIEDHN COC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000613254339 1021835003 /nfs/dbraw/zinc/83/50/03/1021835003.db2.gz GJWSPTNNDGHCJX-RCBQFDQVSA-N 0 3 326.362 4.065 20 30 EIEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000177993724 1021848955 /nfs/dbraw/zinc/84/89/55/1021848955.db2.gz FWLBLGNDFBDOBU-MOPGFXCFSA-N 0 3 326.827 4.082 20 30 EIEDHN N#CC(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc2ccccc2n1 ZINC000613290572 1021853832 /nfs/dbraw/zinc/85/38/32/1021853832.db2.gz HAYMSLRKCGNIOO-CYBMUJFWSA-N 0 3 341.292 4.139 20 30 EIEDHN C=CCOc1ccc(CNCc2c[nH]nc2-c2cccc(C)c2)cc1 ZINC000512531190 1033023353 /nfs/dbraw/zinc/02/33/53/1033023353.db2.gz FAKIIDMOSRRWAU-UHFFFAOYSA-N 0 3 333.435 4.240 20 30 EIEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000178179171 1022140853 /nfs/dbraw/zinc/14/08/53/1022140853.db2.gz KSCGGGMVNOSPBR-HOTGVXAUSA-N 0 3 333.435 4.097 20 30 EIEDHN CC[C@@H](N[C@@H](Cc1nc(C)no1)c1ccccc1)c1ccc(C#N)cc1 ZINC000278802043 1022215025 /nfs/dbraw/zinc/21/50/25/1022215025.db2.gz RFGCOIQLMANBFV-UXHICEINSA-N 0 3 346.434 4.274 20 30 EIEDHN C#CCN(CC1CCCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC001167420426 1022239720 /nfs/dbraw/zinc/23/97/20/1022239720.db2.gz DVHUGCVMJSQPOI-KRWDZBQOSA-N 0 3 348.284 4.398 20 30 EIEDHN C#CCOc1ccc(CNCc2cccc(COC(C)(C)C)c2)cc1 ZINC000236574979 1022398622 /nfs/dbraw/zinc/39/86/22/1022398622.db2.gz SJUOYHWSBVETCJ-UHFFFAOYSA-N 0 3 337.463 4.304 20 30 EIEDHN CC[C@@H](CC(F)F)CN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000659970921 1022790048 /nfs/dbraw/zinc/79/00/48/1022790048.db2.gz SDIQCTWRSGLMER-XHNCKOQMSA-N 0 3 327.259 4.340 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000580191739 1023024018 /nfs/dbraw/zinc/02/40/18/1023024018.db2.gz WSPJHJAQGRPUAS-AWEZNQCLSA-N 0 3 340.448 4.470 20 30 EIEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCCCC2)s1 ZINC000414524105 1023248913 /nfs/dbraw/zinc/24/89/13/1023248913.db2.gz HQJPNLAEJFHHMX-LJQANCHMSA-N 0 3 340.492 4.393 20 30 EIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OC(F)F)cc2)cc1 ZINC000178281771 1023322239 /nfs/dbraw/zinc/32/22/39/1023322239.db2.gz NOBBGOQTRHPVHQ-CQSZACIVSA-N 0 3 331.362 4.151 20 30 EIEDHN C=CCOc1ccccc1CNCc1ccc(C)cc1-c1ccnn1C ZINC000549251380 1023563166 /nfs/dbraw/zinc/56/31/66/1023563166.db2.gz SIZFOFHESMZPRH-UHFFFAOYSA-N 0 3 347.462 4.250 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1c[nH]nc1-c1cccs1 ZINC000418146405 1023564745 /nfs/dbraw/zinc/56/47/45/1023564745.db2.gz PIATVLLWFYQTDC-KRWDZBQOSA-N 0 3 334.448 4.177 20 30 EIEDHN N#Cc1csc(CNCC2(c3cccc(F)c3)CCCCC2)n1 ZINC000583841907 1023624431 /nfs/dbraw/zinc/62/44/31/1023624431.db2.gz RGGCXGDLWVITRN-UHFFFAOYSA-N 0 3 329.444 4.146 20 30 EIEDHN O=C1C=COC2(CCN(Cc3ccc(-c4cccs4)cc3)CC2)C1 ZINC000933646037 1023937381 /nfs/dbraw/zinc/93/73/81/1023937381.db2.gz DSLXDPDZMGYOTH-UHFFFAOYSA-N 0 3 339.460 4.253 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(Br)cc1 ZINC000341761631 1024626918 /nfs/dbraw/zinc/62/69/18/1024626918.db2.gz RNLKBMFODFRJJP-SFHVURJKSA-N 0 3 341.252 4.488 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000092736040 1024809122 /nfs/dbraw/zinc/80/91/22/1024809122.db2.gz CBWJEULFWSNCOO-KRWDZBQOSA-N 0 3 342.483 4.291 20 30 EIEDHN N#Cc1ccc(CN[C@@H](CN2CCCCC2)c2ccccc2)c(F)c1 ZINC000610946850 1025153490 /nfs/dbraw/zinc/15/34/90/1025153490.db2.gz YNLXYDJXQRVISZ-NRFANRHFSA-N 0 3 337.442 4.014 20 30 EIEDHN N#Cc1cc(CN(Cc2ccc3c(c2)OCO3)C2CCCCC2)ccn1 ZINC000610992420 1025236670 /nfs/dbraw/zinc/23/66/70/1025236670.db2.gz CKKBDYOCAHVTOY-UHFFFAOYSA-N 0 3 349.434 4.017 20 30 EIEDHN Cc1ccc([C@@H](Cn2ccnc2)N[C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000610998937 1025252358 /nfs/dbraw/zinc/25/23/58/1025252358.db2.gz VXWTUECUSDAQRE-XMSQKQJNSA-N 0 3 344.462 4.464 20 30 EIEDHN COc1c(C)ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000541901504 1025288011 /nfs/dbraw/zinc/28/80/11/1025288011.db2.gz JRGMVXQZOWAPML-UHFFFAOYSA-N 0 3 349.478 4.260 20 30 EIEDHN CC[C@@H](NCc1cccc(OCCCOC)c1)c1ccc(C#N)cc1 ZINC000278894995 1025353090 /nfs/dbraw/zinc/35/30/90/1025353090.db2.gz YVPXXEDQCQZFAI-OAQYLSRUSA-N 0 3 338.451 4.214 20 30 EIEDHN COc1ccc(CNCc2cccc3cc[nH]c32)cc1OCCCC#N ZINC000342308065 1025822313 /nfs/dbraw/zinc/82/23/13/1025822313.db2.gz XUAUFSRNZSQPJY-UHFFFAOYSA-N 0 3 349.434 4.149 20 30 EIEDHN CC[C@](C)(COc1ncccc1Cl)NCc1cccc(C#N)c1F ZINC000539238493 1025890536 /nfs/dbraw/zinc/89/05/36/1025890536.db2.gz KXYDAFLQAAEGJR-GOSISDBHSA-N 0 3 347.821 4.083 20 30 EIEDHN CN(C(=O)CN[C@H](c1ccccc1)C(C)(C)C)C1(C#N)CCCCC1 ZINC000507001638 1026573564 /nfs/dbraw/zinc/57/35/64/1026573564.db2.gz KMIBMFBAIJSJQX-LJQANCHMSA-N 0 3 341.499 4.048 20 30 EIEDHN C=CCc1cc(CNCc2cc(C)cc(C)c2)cc(OC)c1OC ZINC000237295496 1026884228 /nfs/dbraw/zinc/88/42/28/1026884228.db2.gz AFCFKTQZLNLWRF-UHFFFAOYSA-N 0 3 325.452 4.339 20 30 EIEDHN Cc1cccc(CN(Cc2cnc3ccc(C#N)cn23)CC(C)C)c1 ZINC000507721877 1026887117 /nfs/dbraw/zinc/88/71/17/1026887117.db2.gz BPYJVEPFJPJADO-UHFFFAOYSA-N 0 3 332.451 4.173 20 30 EIEDHN COc1cc(CN[C@H]2CCCc3ccc(Cl)cc32)ccc1C#N ZINC000519675135 1026942787 /nfs/dbraw/zinc/94/27/87/1026942787.db2.gz XERXJEMNTHLFGR-SFHVURJKSA-N 0 3 326.827 4.387 20 30 EIEDHN C[C@H](c1ccc(Cl)cc1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000472247373 1026999146 /nfs/dbraw/zinc/99/91/46/1026999146.db2.gz QEXCLGFDTZXLQG-MRXNPFEDSA-N 0 3 333.907 4.349 20 30 EIEDHN Cc1nc2ccccn2c1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000507730577 1027077426 /nfs/dbraw/zinc/07/74/26/1027077426.db2.gz FYRGTTQSDPLJIS-UHFFFAOYSA-N 0 3 332.451 4.173 20 30 EIEDHN Cc1nc2ccccc2nc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000520173564 1027273224 /nfs/dbraw/zinc/27/32/24/1027273224.db2.gz PYXILICPLCWVAA-UHFFFAOYSA-N 0 3 344.462 4.468 20 30 EIEDHN COC[C@H](N[C@H](C)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000925097857 1027292865 /nfs/dbraw/zinc/29/28/65/1027292865.db2.gz RDIGHSPLKNKQMQ-DOMZBBRYSA-N 0 3 328.378 4.311 20 30 EIEDHN C#CCOc1ccc(CNCc2ccc3cc(OC)ccc3c2)cc1 ZINC000237284594 1027447670 /nfs/dbraw/zinc/44/76/70/1027447670.db2.gz KDPIWMLLAXVEBP-UHFFFAOYSA-N 0 3 331.415 4.150 20 30 EIEDHN COCCCC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000441387762 1027511576 /nfs/dbraw/zinc/51/15/76/1027511576.db2.gz RHANSHYNRHFZPF-FQEVSTJZSA-N 0 3 338.451 4.214 20 30 EIEDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000329367560 1027749568 /nfs/dbraw/zinc/74/95/68/1027749568.db2.gz HMAONXMPAFVGMX-RDTXWAMCSA-N 0 3 342.418 4.024 20 30 EIEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000166653627 1027866251 /nfs/dbraw/zinc/86/62/51/1027866251.db2.gz OVMFXAFMDVAORR-GKCIPKSASA-N 0 3 343.854 4.127 20 30 EIEDHN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1CCCCC(C)(C)C#N ZINC000444652149 1027924412 /nfs/dbraw/zinc/92/44/12/1027924412.db2.gz WRCBGBAXFYXUOV-ROUUACIJSA-N 0 3 334.504 4.150 20 30 EIEDHN CSc1nc(CN(C)CCc2ccc(Cl)cc2)ccc1C#N ZINC001141941761 1028089509 /nfs/dbraw/zinc/08/95/09/1028089509.db2.gz WOSMWYQVNKKTTN-UHFFFAOYSA-N 0 3 331.872 4.003 20 30 EIEDHN C=CCCCCCN(C)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000523557791 1028215350 /nfs/dbraw/zinc/21/53/50/1028215350.db2.gz AQAWRVMPHHPNDU-QGZVFWFLSA-N 0 3 334.529 4.262 20 30 EIEDHN C=CCOc1ccc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)cc1 ZINC000657741558 1028218699 /nfs/dbraw/zinc/21/86/99/1028218699.db2.gz HFWMSNCQXGOOFH-RTWAWAEBSA-N 0 3 325.452 4.099 20 30 EIEDHN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000330270296 1028240553 /nfs/dbraw/zinc/24/05/53/1028240553.db2.gz TXDZDNDXFJZXAP-FNHZYXHNSA-N 0 3 330.472 4.252 20 30 EIEDHN CC[C@H](NCCOCC(F)(F)C(F)(F)F)c1ccc(F)cc1F ZINC000346578872 1028526625 /nfs/dbraw/zinc/52/66/25/1028526625.db2.gz XHHFOMCEFKAQFX-LBPRGKRZSA-N 0 3 347.274 4.220 20 30 EIEDHN COc1cc(CN[C@H](C)c2ccc(OC(F)F)cc2)ccc1C#N ZINC000281772456 1028866054 /nfs/dbraw/zinc/86/60/54/1028866054.db2.gz SKHQMJMHFOXUKB-GFCCVEGCSA-N 0 3 332.350 4.019 20 30 EIEDHN Cc1oc2ccccc2c1CN(C)CCOCc1ccc(C#N)cc1 ZINC000583661400 1029009742 /nfs/dbraw/zinc/00/97/42/1029009742.db2.gz MLXIAGHHIATNMY-UHFFFAOYSA-N 0 3 334.419 4.262 20 30 EIEDHN CC[C@H](NCc1ccc(C)cc1OCCOC)c1ccc(C#N)cc1 ZINC000278379147 1029046696 /nfs/dbraw/zinc/04/66/96/1029046696.db2.gz CWXIRTLGKZJHJI-FQEVSTJZSA-N 0 3 338.451 4.133 20 30 EIEDHN C[C@@H](c1nc2ccccc2s1)N(C)CCCC1(C#N)CCOCC1 ZINC000281985393 1029050086 /nfs/dbraw/zinc/05/00/86/1029050086.db2.gz MJLYPPWOZMEBRL-HNNXBMFYSA-N 0 3 343.496 4.390 20 30 EIEDHN C=CCCN1CCC[C@@H]1c1ccccc1I ZINC000525329092 1029574069 /nfs/dbraw/zinc/57/40/69/1029574069.db2.gz YYPHOPSOZQCIIL-CQSZACIVSA-N 0 3 327.209 4.004 20 30 EIEDHN COc1cccc([C@H](C)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000079413843 1029560435 /nfs/dbraw/zinc/56/04/35/1029560435.db2.gz XCDKQTVCGLMESN-INIZCTEOSA-N 0 3 336.435 4.171 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2C(C)(C)C)c1C ZINC000525274442 1029561064 /nfs/dbraw/zinc/56/10/64/1029561064.db2.gz KRSGQLFLDDCSOZ-IBGZPJMESA-N 0 3 341.499 4.061 20 30 EIEDHN C[C@@H](NCc1ccnc(C#N)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807104 1029640072 /nfs/dbraw/zinc/64/00/72/1029640072.db2.gz FGWDKCUTEWHNEE-MRXNPFEDSA-N 0 3 338.414 4.343 20 30 EIEDHN N#C[C@@H]1CC[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000278690635 1029696585 /nfs/dbraw/zinc/69/65/85/1029696585.db2.gz SESKNVMRKYGSGJ-KNQAVFIVSA-N 0 3 345.490 4.086 20 30 EIEDHN CC#CCN1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447391939 1030056755 /nfs/dbraw/zinc/05/67/55/1030056755.db2.gz ATGCEJSVCBKMFD-OAHLLOKOSA-N 0 3 326.465 4.021 20 30 EIEDHN CC#CCCCC(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 ZINC000185774508 1030223926 /nfs/dbraw/zinc/22/39/26/1030223926.db2.gz GVMCXZCHMZRPCA-UHFFFAOYSA-N 0 3 344.524 4.029 20 30 EIEDHN Cc1cccnc1OC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000429726845 1030243335 /nfs/dbraw/zinc/24/33/35/1030243335.db2.gz ALFYFHZKDSUANU-UHFFFAOYSA-N 0 3 349.478 4.235 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000526942314 1030356792 /nfs/dbraw/zinc/35/67/92/1030356792.db2.gz JCSVHEBTFJEMMI-DOTOQJQBSA-N 0 3 328.456 4.063 20 30 EIEDHN C#CCCOc1ccc(CNCc2cccc(CSC)c2)cc1 ZINC000189492086 1030472549 /nfs/dbraw/zinc/47/25/49/1030472549.db2.gz ZVFBNSJUXVPHMZ-UHFFFAOYSA-N 0 3 325.477 4.242 20 30 EIEDHN CCOc1ccc(O)c(/C=N\C[C@@H](c2cccs2)N2CCCC2)c1 ZINC000255758171 1031065542 /nfs/dbraw/zinc/06/55/42/1031065542.db2.gz XISICJOOJYSQMN-IZQLPPHKSA-N 0 3 344.480 4.108 20 30 EIEDHN CC1(C#N)CCC(Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000449052929 1031405315 /nfs/dbraw/zinc/40/53/15/1031405315.db2.gz GMHSYYDFGPJDRI-UHFFFAOYSA-N 0 3 329.513 4.120 20 30 EIEDHN CCc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000531716068 1031502384 /nfs/dbraw/zinc/50/23/84/1031502384.db2.gz WWCAHIGRACOWCV-ZBFHGGJFSA-N 0 3 341.430 4.172 20 30 EIEDHN CCc1ccc(-c2noc([C@@H](C)NC3CCC(C)(C#N)CC3)n2)cc1 ZINC000449276465 1031588555 /nfs/dbraw/zinc/58/85/55/1031588555.db2.gz BTKKQZHJPBPEKK-FNMUINPESA-N 0 3 338.455 4.422 20 30 EIEDHN CC(C)(NCCOc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000528610635 1031691183 /nfs/dbraw/zinc/69/11/83/1031691183.db2.gz HLMTWSRHBFITSJ-UHFFFAOYSA-N 0 3 337.448 4.072 20 30 EIEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(OCC(F)(F)F)c1 ZINC000053331750 1031707225 /nfs/dbraw/zinc/70/72/25/1031707225.db2.gz FCNSQNKVVKFVMR-UHFFFAOYSA-N 0 3 334.341 4.131 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(Br)cc2C)n1 ZINC000048520423 1031843722 /nfs/dbraw/zinc/84/37/22/1031843722.db2.gz WRLHUFHDUBQQOE-GFCCVEGCSA-N 0 3 335.226 4.013 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528910044 1031935985 /nfs/dbraw/zinc/93/59/85/1031935985.db2.gz PVIBLJOQEJHNKS-IXDOHACOSA-N 0 3 347.393 4.082 20 30 EIEDHN CC[C@H](CN[C@H](C)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000512631779 1033557020 /nfs/dbraw/zinc/55/70/20/1033557020.db2.gz SOSCNWFTWATKMY-UKRRQHHQSA-N 0 3 330.378 4.345 20 30 EIEDHN C[C@@H](NC[C@@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)cc1F ZINC000512642654 1033599624 /nfs/dbraw/zinc/59/96/24/1033599624.db2.gz RHHPJUJRBAXNGX-YJYMSZOUSA-N 0 3 345.849 4.304 20 30 EIEDHN N#CCCC[C@@H](NCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000433015218 1033654448 /nfs/dbraw/zinc/65/44/48/1033654448.db2.gz JGSWVOWXYSCPSA-GOSISDBHSA-N 0 3 341.842 4.303 20 30 EIEDHN CCN(C(=O)CN[C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433021229 1033673578 /nfs/dbraw/zinc/67/35/78/1033673578.db2.gz QAJRDKMVDOWNRE-FQEVSTJZSA-N 0 3 335.451 4.064 20 30 EIEDHN N#CCCC[C@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000433041124 1033712952 /nfs/dbraw/zinc/71/29/52/1033712952.db2.gz SWWYVSSSFOXOHS-NRFANRHFSA-N 0 3 347.462 4.139 20 30 EIEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000411446118 1033891487 /nfs/dbraw/zinc/89/14/87/1033891487.db2.gz AAFBNJJQKHIORS-QGZVFWFLSA-N 0 3 339.483 4.328 20 30 EIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(Br)s1)CC2 ZINC000576196706 1034197207 /nfs/dbraw/zinc/19/72/07/1034197207.db2.gz AGLADSZJOTXARJ-CQSZACIVSA-N 0 3 333.254 4.159 20 30 EIEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000513059015 1034383048 /nfs/dbraw/zinc/38/30/48/1034383048.db2.gz VBIINWGHYOABGF-DZFGPLHGSA-N 0 3 338.426 4.138 20 30 EIEDHN COc1ccc([C@@H]2CCCN2Cc2ccc(C#N)cc2C)c(OC)c1 ZINC000614396133 1034533188 /nfs/dbraw/zinc/53/31/88/1034533188.db2.gz YCPAQJFOLUFYOV-FQEVSTJZSA-N 0 3 336.435 4.221 20 30 EIEDHN C=CCc1cc(CN(C)Cc2ccc(OC)c(C)c2)cc(OC)c1O ZINC000513106046 1034572195 /nfs/dbraw/zinc/57/21/95/1034572195.db2.gz GIDVNHUORGDLNC-UHFFFAOYSA-N 0 3 341.451 4.078 20 30 EIEDHN CCC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000182329287 1034627595 /nfs/dbraw/zinc/62/75/95/1034627595.db2.gz DKSUTJIVJXRMLF-QGZVFWFLSA-N 0 3 341.480 4.306 20 30 EIEDHN C=CCC[C@H](N[C@@H]1CCN(c2ccccc2OC)C1)c1ccco1 ZINC000513707794 1035392248 /nfs/dbraw/zinc/39/22/48/1035392248.db2.gz IXXJDPWZFUIICH-SJORKVTESA-N 0 3 326.440 4.164 20 30 EIEDHN COc1ccc(C[C@H](C)NCC2(C#N)CCCCC2)c(C)c1OC ZINC000595092179 1035598249 /nfs/dbraw/zinc/59/82/49/1035598249.db2.gz YLNYMSJODHNISI-HNNXBMFYSA-N 0 3 330.472 4.007 20 30 EIEDHN CC[C@H](Cc1ccc(OC)c(OC)c1)NCC1(C#N)CCCCC1 ZINC000595090614 1035599467 /nfs/dbraw/zinc/59/94/67/1035599467.db2.gz JBDIESUHUPQABL-QGZVFWFLSA-N 0 3 330.472 4.089 20 30 EIEDHN C=CCC1(NCc2coc(-c3ccc(C(=O)OC)cc3)n2)CCCC1 ZINC000595780114 1035795057 /nfs/dbraw/zinc/79/50/57/1035795057.db2.gz HXGAOJBJJMDIRY-UHFFFAOYSA-N 0 3 340.423 4.107 20 30 EIEDHN Cc1cc(C#N)ccc1CN(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000586773089 1035841025 /nfs/dbraw/zinc/84/10/25/1035841025.db2.gz WSJSUAVZKUICAR-UHFFFAOYSA-N 0 3 348.368 4.440 20 30 EIEDHN C=CCc1cc(CNCc2cc(C)sc2C)cc(OC)c1OC ZINC000760668704 1036081829 /nfs/dbraw/zinc/08/18/29/1036081829.db2.gz FRMMOSMTZRCDCG-UHFFFAOYSA-N 0 3 331.481 4.400 20 30 EIEDHN N#CC[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597174314 1036142478 /nfs/dbraw/zinc/14/24/78/1036142478.db2.gz OVHNPQZHAOHMLK-AWEZNQCLSA-N 0 3 341.436 4.449 20 30 EIEDHN CC1CCN([C@@H](CNC(=O)CCCCCC#N)c2cccs2)CC1 ZINC000588147188 1036243845 /nfs/dbraw/zinc/24/38/45/1036243845.db2.gz BBYVMNMGAQMUTD-KRWDZBQOSA-N 0 3 347.528 4.111 20 30 EIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccs1 ZINC000129639473 1036351965 /nfs/dbraw/zinc/35/19/65/1036351965.db2.gz OVKZUDVPUIFWHD-SECBINFHSA-N 0 3 339.203 4.016 20 30 EIEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000156813709 1036409064 /nfs/dbraw/zinc/40/90/64/1036409064.db2.gz GZKUZSDAVAKRAG-ZFWWWQNUSA-N 0 3 346.477 4.137 20 30 EIEDHN Cc1cc(CN2CCSCC2)ccc1NC1CCC(C#N)CC1 ZINC000602489912 1036466942 /nfs/dbraw/zinc/46/69/42/1036466942.db2.gz FXOYRNCOHBSXCE-UHFFFAOYSA-N 0 3 329.513 4.038 20 30 EIEDHN CC(C)CCOc1ccccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602529464 1036492584 /nfs/dbraw/zinc/49/25/84/1036492584.db2.gz UXFNYHBQYDTNRW-SFHVURJKSA-N 0 3 344.499 4.300 20 30 EIEDHN CN(CCCC(C)(C)C#N)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602892306 1036661952 /nfs/dbraw/zinc/66/19/52/1036661952.db2.gz KGANIKVJNFUPJR-UHFFFAOYSA-N 0 3 338.377 4.343 20 30 EIEDHN CCCN(CCC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000027271330 1036700506 /nfs/dbraw/zinc/70/05/06/1036700506.db2.gz XNAKROTWNOYYBL-UHFFFAOYSA-N 0 3 344.503 4.152 20 30 EIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(OCC(F)(F)F)cc1)CC2 ZINC000589337191 1036737479 /nfs/dbraw/zinc/73/74/79/1036737479.db2.gz UCUPQFZYDMUJEA-GOSISDBHSA-N 0 3 346.352 4.276 20 30 EIEDHN N#C[C@@H]1CCC[C@H](N[C@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000599091049 1036875726 /nfs/dbraw/zinc/87/57/26/1036875726.db2.gz NSGHSQYWQDAWSD-XFBWCDHKSA-N 0 3 327.255 4.089 20 30 EIEDHN CCc1cccc2c1OCC[C@H]2N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271912429 1037053382 /nfs/dbraw/zinc/05/33/82/1037053382.db2.gz YFGKWTYKHXHDFO-MGPUTAFESA-N 0 3 336.435 4.326 20 30 EIEDHN N#Cc1ccc(N2CCC[C@@H](NCc3sccc3Cl)C2)c(F)c1 ZINC000487285769 1037100991 /nfs/dbraw/zinc/10/09/91/1037100991.db2.gz CRFGWFSJRPBMCJ-CYBMUJFWSA-N 0 3 349.862 4.171 20 30 EIEDHN CC1(C#N)CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000272585715 1037237120 /nfs/dbraw/zinc/23/71/20/1037237120.db2.gz OVHXXBYXBNJOEB-UHFFFAOYSA-N 0 3 334.463 4.418 20 30 EIEDHN CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(C#N)c(C)c1)CCC2 ZINC000488138917 1037373979 /nfs/dbraw/zinc/37/39/79/1037373979.db2.gz YAHFBXRBKPRNQF-KRWDZBQOSA-N 0 3 325.481 4.395 20 30 EIEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000166653517 1037392434 /nfs/dbraw/zinc/39/24/34/1037392434.db2.gz OVMFXAFMDVAORR-VOBQZIQPSA-N 0 3 343.854 4.127 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000171776373 1037649247 /nfs/dbraw/zinc/64/92/47/1037649247.db2.gz ITANNDDLRPIFNR-FUHWJXTLSA-N 0 3 343.430 4.260 20 30 EIEDHN COc1cc(CNCC2(CC#N)CC2)ccc1OCc1cccs1 ZINC000430062354 1037702532 /nfs/dbraw/zinc/70/25/32/1037702532.db2.gz BCUCTFFHDYDQOY-UHFFFAOYSA-N 0 3 342.464 4.119 20 30 EIEDHN N#Cc1cnccc1CN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000592113694 1037737425 /nfs/dbraw/zinc/73/74/25/1037737425.db2.gz HCJKEKTVIPZUGH-SJLPKXTDSA-N 0 3 345.368 4.398 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N(CCC(C)C)CCC(C)C)CC1 ZINC000592352067 1037784369 /nfs/dbraw/zinc/78/43/69/1037784369.db2.gz WWVWGZYFKDDUHV-UHFFFAOYSA-N 0 3 337.552 4.131 20 30 EIEDHN N#CCc1ccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000592391425 1037794759 /nfs/dbraw/zinc/79/47/59/1037794759.db2.gz JNXGRRXEHHPNBA-NRFANRHFSA-N 0 3 342.446 4.106 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000489085934 1037863030 /nfs/dbraw/zinc/86/30/30/1037863030.db2.gz ANZHPVOAYAWWOX-OAHLLOKOSA-N 0 3 328.419 4.285 20 30 EIEDHN C=C(C)[C@H](N[C@H](C)c1ccc(CN)nc1C)c1ccc(F)c(F)c1 ZINC000423051478 1037938308 /nfs/dbraw/zinc/93/83/08/1037938308.db2.gz NLWDOECAGIAEGD-YJYMSZOUSA-N 0 3 331.410 4.095 20 30 EIEDHN N#CC(C(=O)CCCc1cccc(Br)c1)c1ccccn1 ZINC000761035166 1038160527 /nfs/dbraw/zinc/16/05/27/1038160527.db2.gz VYPMFVSHEIILGU-HNNXBMFYSA-N 0 3 343.224 4.043 20 30 EIEDHN CCc1csc(CC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000594019665 1038210768 /nfs/dbraw/zinc/21/07/68/1038210768.db2.gz PPHWWQCAIYVTLY-UHFFFAOYSA-N 0 3 325.481 4.032 20 30 EIEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3CC3CCCC3)o2)cc1 ZINC000594054650 1038294537 /nfs/dbraw/zinc/29/45/37/1038294537.db2.gz UYRUWXKLAZIVGF-GOSISDBHSA-N 0 3 336.439 4.153 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1SC1CCCC1 ZINC000594429811 1038331196 /nfs/dbraw/zinc/33/11/96/1038331196.db2.gz WIJGSEMNLMCRSZ-OAHLLOKOSA-N 0 3 331.485 4.071 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000594433530 1038334155 /nfs/dbraw/zinc/33/41/55/1038334155.db2.gz GJNLVYOSUXZFRC-QZTJIDSGSA-N 0 3 347.890 4.099 20 30 EIEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)c2ccccc21 ZINC000594442054 1038336870 /nfs/dbraw/zinc/33/68/70/1038336870.db2.gz BMIMDWGCWVMIGB-ACJLOTCBSA-N 0 3 343.858 4.082 20 30 EIEDHN CCn1c2ccccc2c2cc(NC(=O)[C@@H](N)CCCCC#N)ccc21 ZINC000594426231 1038341614 /nfs/dbraw/zinc/34/16/14/1038341614.db2.gz OAQULJJCSQNPLD-SFHVURJKSA-N 0 3 348.450 4.164 20 30 EIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(F)cc1N(C)C ZINC000594514585 1038357648 /nfs/dbraw/zinc/35/76/48/1038357648.db2.gz IVVAIXDUPKHNCN-OAHLLOKOSA-N 0 3 337.442 4.493 20 30 EIEDHN COc1ccc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1OC ZINC000594515584 1038358520 /nfs/dbraw/zinc/35/85/20/1038358520.db2.gz NXQQWAYBGLXOSG-HNNXBMFYSA-N 0 3 336.435 4.305 20 30 EIEDHN N#Cc1ccc(C2(N[C@@H]3CCc4c3cccc4[N+](=O)[O-])CCC2)cc1 ZINC000594518181 1038359821 /nfs/dbraw/zinc/35/98/21/1038359821.db2.gz MXEOGNRBQDUILG-GOSISDBHSA-N 0 3 333.391 4.123 20 30 EIEDHN C[C@@H](NCc1ccc(OCc2ccncc2)cc1)c1ccc(C#N)cc1 ZINC000075755606 1038432255 /nfs/dbraw/zinc/43/22/55/1038432255.db2.gz MWTNCTVCTARJAK-QGZVFWFLSA-N 0 3 343.430 4.383 20 30 EIEDHN N#Cc1cccc(C2(NCc3ccc(C(F)F)cc3)CCOCC2)c1 ZINC000594978474 1038486999 /nfs/dbraw/zinc/48/69/99/1038486999.db2.gz CAOUIOLVSZKCOK-UHFFFAOYSA-N 0 3 342.389 4.291 20 30 EIEDHN CC[C@H](C)c1ccc([C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1 ZINC000424062633 1038488757 /nfs/dbraw/zinc/48/87/57/1038488757.db2.gz HIHYFORQMHFYDV-SNRMKQJTSA-N 0 3 329.488 4.035 20 30 EIEDHN CN(C(=O)[C@H](N)CCCC#N)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000424163624 1038697379 /nfs/dbraw/zinc/69/73/79/1038697379.db2.gz AKYTZGBETSPSEO-MSOLQXFVSA-N 0 3 347.890 4.051 20 30 EIEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000173954212 1038799731 /nfs/dbraw/zinc/79/97/31/1038799731.db2.gz IKAKJZROPJOLMM-MFKMUULPSA-N 0 3 340.395 4.085 20 30 EIEDHN C=CCN(CCc1ccco1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000555104929 1038871089 /nfs/dbraw/zinc/87/10/89/1038871089.db2.gz WGNVQBAEMDNGCO-UHFFFAOYSA-N 0 3 334.341 4.401 20 30 EIEDHN COc1cc([C@H](C)NCc2ccc(F)c(C#N)c2)ccc1OC(C)C ZINC000539253142 1038895596 /nfs/dbraw/zinc/89/55/96/1038895596.db2.gz RDLKQQCCQQUVFI-AWEZNQCLSA-N 0 3 342.414 4.344 20 30 EIEDHN C=CCC[C@H](NCC(=O)Nc1ccc(OCC)cc1)c1ccccc1 ZINC000539292748 1038939306 /nfs/dbraw/zinc/93/93/06/1038939306.db2.gz RKDDECFGUBXYNY-FQEVSTJZSA-N 0 3 338.451 4.321 20 30 EIEDHN CCN(Cc1ccccc1)Cc1ccc(Br)c(C#N)c1 ZINC001232892305 1039035859 /nfs/dbraw/zinc/03/58/59/1039035859.db2.gz HJUXJGAVFLEULS-UHFFFAOYSA-N 0 3 329.241 4.343 20 30 EIEDHN C=CCOc1ccc(CN2CCCC3(CCOCC3)C2)cc1Cl ZINC000552279609 1039357158 /nfs/dbraw/zinc/35/71/58/1039357158.db2.gz XMRXNOUQJCEROQ-UHFFFAOYSA-N 0 3 335.875 4.297 20 30 EIEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC000481391692 1039374738 /nfs/dbraw/zinc/37/47/38/1039374738.db2.gz MREFBHNSOFPEEC-LIRRHRJNSA-N 0 3 331.818 4.196 20 30 EIEDHN C=CC[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000505584804 1039965032 /nfs/dbraw/zinc/96/50/32/1039965032.db2.gz BYJSAYKVIYVQBO-YYWHXJBOSA-N 0 3 336.479 4.154 20 30 EIEDHN CC[C@H](c1ccc(Cl)cc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428780818 1040197416 /nfs/dbraw/zinc/19/74/16/1040197416.db2.gz CZSUWDXXQTWVCX-QZTJIDSGSA-N 0 3 341.842 4.211 20 30 EIEDHN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cc1OC ZINC000194351077 1040282360 /nfs/dbraw/zinc/28/23/60/1040282360.db2.gz WYROYANOHVLEPL-LSDHHAIUSA-N 0 3 340.423 4.018 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(OCCCC#N)c1 ZINC000425365271 1040339466 /nfs/dbraw/zinc/33/94/66/1040339466.db2.gz JSGQDYQPCUEDCT-KRWDZBQOSA-N 0 3 333.435 4.434 20 30 EIEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccs1 ZINC000130438546 1040364083 /nfs/dbraw/zinc/36/40/83/1040364083.db2.gz IFLKQZJTYVUVPF-LLVKDONJSA-N 0 3 339.203 4.016 20 30 EIEDHN C=CCCCCCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508851400 1040450653 /nfs/dbraw/zinc/45/06/53/1040450653.db2.gz GZVXFDKGZOEZDJ-HKUYNNGSSA-N 0 3 331.504 4.066 20 30 EIEDHN C=CCOc1ccccc1CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000482899292 1040559804 /nfs/dbraw/zinc/55/98/04/1040559804.db2.gz JZPBARBPSBWOGQ-QGZVFWFLSA-N 0 3 333.435 4.288 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)c(C)o2)cc1 ZINC000128765775 1040608231 /nfs/dbraw/zinc/60/82/31/1040608231.db2.gz XAZABECWHZHGJY-YVEFUNNKSA-N 0 3 338.407 4.371 20 30 EIEDHN FC(F)(F)c1ccc(C#CCNCc2cccc3cccnc32)cc1 ZINC000539704436 1040709469 /nfs/dbraw/zinc/70/94/69/1040709469.db2.gz UMNDVEBGHUTPAN-UHFFFAOYSA-N 0 3 340.348 4.395 20 30 EIEDHN C=CCCOCCN[C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000537951845 1040915653 /nfs/dbraw/zinc/91/56/53/1040915653.db2.gz DTVFNVZNVZVCET-AWEZNQCLSA-N 0 3 333.863 4.077 20 30 EIEDHN CC1(C)CN(CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000554309238 1040986243 /nfs/dbraw/zinc/98/62/43/1040986243.db2.gz OINIJHVFCSMLOT-SFHVURJKSA-N 0 3 339.464 4.031 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540048351 1041053273 /nfs/dbraw/zinc/05/32/73/1041053273.db2.gz VZSOUOJKPOLLHZ-INIZCTEOSA-N 0 3 346.430 4.180 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000436314369 1041084304 /nfs/dbraw/zinc/08/43/04/1041084304.db2.gz NDULMMWYDJRACK-BWAGFHJFSA-N 0 3 348.446 4.488 20 30 EIEDHN N#CC(C(=O)c1ccc(F)c2ccccc12)c1cnc2ccccc2n1 ZINC000483989492 1041090487 /nfs/dbraw/zinc/09/04/87/1041090487.db2.gz AFMPPAANWLNIGP-MRXNPFEDSA-N 0 3 341.345 4.412 20 30 EIEDHN C[C@H](NCC#Cc1ccccc1Cl)c1ccccc1-n1cccn1 ZINC000538158467 1041102007 /nfs/dbraw/zinc/10/20/07/1041102007.db2.gz BFABONGXAUWZQR-INIZCTEOSA-N 0 3 335.838 4.228 20 30 EIEDHN C=CC[C@H](C)[C@@H](C)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540167475 1041210436 /nfs/dbraw/zinc/21/04/36/1041210436.db2.gz ZMOVNBXJRHPALD-VHSXEESVSA-N 0 3 346.784 4.092 20 30 EIEDHN Cc1c2ccccc2oc1[C@@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000484358793 1041215830 /nfs/dbraw/zinc/21/58/30/1041215830.db2.gz UMAUGJLCUYLZET-OAHLLOKOSA-N 0 3 347.418 4.292 20 30 EIEDHN CC[C@@H](Cc1ccccc1)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075768139 1041345401 /nfs/dbraw/zinc/34/54/01/1041345401.db2.gz ZCNNINGUWNYBOD-IBGZPJMESA-N 0 3 346.434 4.061 20 30 EIEDHN CCC(CC)[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000540378855 1041427143 /nfs/dbraw/zinc/42/71/43/1041427143.db2.gz LFRZYZNDNFCVIN-LJQANCHMSA-N 0 3 341.480 4.325 20 30 EIEDHN CC[C@H](C)[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000540415077 1041442190 /nfs/dbraw/zinc/44/21/90/1041442190.db2.gz KYMAJFAAUWXKHG-JVPBZIDWSA-N 0 3 349.906 4.071 20 30 EIEDHN C=CCC[C@H](NCC(=O)Nc1ccc(C)cc1F)c1ccccc1 ZINC000540455823 1041477491 /nfs/dbraw/zinc/47/74/91/1041477491.db2.gz CTKQSQDHWRHXTG-SFHVURJKSA-N 0 3 326.415 4.370 20 30 EIEDHN N#Cc1ccc(CN2CC[C@@H](c3ccccc3)C2)c(OC(F)F)c1 ZINC000437425389 1041798590 /nfs/dbraw/zinc/79/85/90/1041798590.db2.gz GRKBMZFRXNMDGJ-MRXNPFEDSA-N 0 3 328.362 4.149 20 30 EIEDHN CC(C)C[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccs1 ZINC000541629348 1042045269 /nfs/dbraw/zinc/04/52/69/1042045269.db2.gz WOLIVPBBRZTFBX-MRXNPFEDSA-N 0 3 347.528 4.110 20 30 EIEDHN N#Cc1ccc(CN2CCC3(C=Cc4ccccc4O3)CC2)c(F)c1 ZINC000595876426 1042160389 /nfs/dbraw/zinc/16/03/89/1042160389.db2.gz BWPLMYLAIHIURA-UHFFFAOYSA-N 0 3 334.394 4.138 20 30 EIEDHN COc1cccc([C@@H]2C[C@H](C)CN2Cc2ccc(C#N)cc2OC)c1 ZINC000542247658 1042357765 /nfs/dbraw/zinc/35/77/65/1042357765.db2.gz FDOMYQLXFHOTMP-YWZLYKJASA-N 0 3 336.435 4.159 20 30 EIEDHN C#C[C@@H](NC1CCN(C(=O)CC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000491745645 1042497197 /nfs/dbraw/zinc/49/71/97/1042497197.db2.gz XXNMGQZBQWVFOT-GOSISDBHSA-N 0 3 346.902 4.031 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC(C)C)c2cccs2)CC1 ZINC000518510419 1042554420 /nfs/dbraw/zinc/55/44/20/1042554420.db2.gz NNSLPHPBANWIFR-KRWDZBQOSA-N 0 3 349.544 4.175 20 30 EIEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H](O)c1c(F)cccc1F ZINC000271978881 1042600286 /nfs/dbraw/zinc/60/02/86/1042600286.db2.gz WMHVAEXVYAXJLD-AHYKXKOGSA-N 0 3 348.368 4.138 20 30 EIEDHN C=CCCC[C@H](C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439456686 1042639035 /nfs/dbraw/zinc/63/90/35/1042639035.db2.gz ZEOFWZZTPLNLRB-WFASDCNBSA-N 0 3 338.377 4.247 20 30 EIEDHN N#Cc1ccc(Br)c(CN2CC[C@@H](c3ccccc3)C2)c1 ZINC000492651072 1042715124 /nfs/dbraw/zinc/71/51/24/1042715124.db2.gz JIZLYCIHCKMUPE-MRXNPFEDSA-N 0 3 341.252 4.310 20 30 EIEDHN CC(C)[C@@H](CC(F)(F)F)NCc1cc(C#N)ccc1Br ZINC000493543916 1042931833 /nfs/dbraw/zinc/93/18/33/1042931833.db2.gz KQLSLKKCHYJEAB-CYBMUJFWSA-N 0 3 349.194 4.387 20 30 EIEDHN CCN(CCCC#N)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000053134828 1043036723 /nfs/dbraw/zinc/03/67/23/1043036723.db2.gz LLTVPILBCPTVQJ-UHFFFAOYSA-N 0 3 344.480 4.461 20 30 EIEDHN Cc1nn(C)cc1CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542947239 1043051442 /nfs/dbraw/zinc/05/14/42/1043051442.db2.gz XNQFELMMAJUWTQ-OAHLLOKOSA-N 0 3 330.435 4.118 20 30 EIEDHN CCCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(OC(F)F)c1 ZINC000185855621 1043226170 /nfs/dbraw/zinc/22/61/70/1043226170.db2.gz GVKHFNFGILQARN-HIFRSBDPSA-N 0 3 338.398 4.249 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1csc2ccccc21 ZINC000730023979 1043431635 /nfs/dbraw/zinc/43/16/35/1043431635.db2.gz YKSVJPSVTXJJBX-GJZGRUSLSA-N 0 3 330.497 4.365 20 30 EIEDHN CO[C@H](c1ccccc1)[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000494622081 1043859220 /nfs/dbraw/zinc/85/92/20/1043859220.db2.gz SQXBIROJBAIBRV-BEFAXECRSA-N 0 3 347.380 4.423 20 30 EIEDHN CCCOc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1OC ZINC000543183509 1044062566 /nfs/dbraw/zinc/06/25/66/1044062566.db2.gz RVWRRUCMZZNVKP-INIZCTEOSA-N 0 3 338.451 4.401 20 30 EIEDHN CN(CCOc1cc(Cl)ccc1Cl)Cc1ccc(C#N)cc1 ZINC000195542647 1044097967 /nfs/dbraw/zinc/09/79/67/1044097967.db2.gz ZDMRQFYLTMMUDA-UHFFFAOYSA-N 0 3 335.234 4.376 20 30 EIEDHN C#CCOc1ccc(CN[C@H](C)c2cc3cccc(OC)c3o2)cc1 ZINC000733322711 1044182466 /nfs/dbraw/zinc/18/24/66/1044182466.db2.gz SGFRELQAYGTWJT-OAHLLOKOSA-N 0 3 335.403 4.304 20 30 EIEDHN C[C@H](NCc1ccc(COCC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000173849667 1044182993 /nfs/dbraw/zinc/18/29/93/1044182993.db2.gz WLEHKYYAOOVNSF-AWEZNQCLSA-N 0 3 348.368 4.488 20 30 EIEDHN C#CCOc1ccc(CNCc2c(OC)ccc3ccccc32)cc1 ZINC000733322218 1044184874 /nfs/dbraw/zinc/18/48/74/1044184874.db2.gz CVBFZVDNXNSONY-UHFFFAOYSA-N 0 3 331.415 4.150 20 30 EIEDHN CSc1ccc([C@H](CNc2nc(C)cc(C)c2C#N)N(C)C)cc1 ZINC000338834995 1044311153 /nfs/dbraw/zinc/31/11/53/1044311153.db2.gz GIHYQGKCYMJJLD-SFHVURJKSA-N 0 3 340.496 4.007 20 30 EIEDHN CSc1ccc([C@@H](CNc2nc(C)cc(C)c2C#N)N(C)C)cc1 ZINC000338834985 1044311446 /nfs/dbraw/zinc/31/14/46/1044311446.db2.gz GIHYQGKCYMJJLD-GOSISDBHSA-N 0 3 340.496 4.007 20 30 EIEDHN C=CC[C@H](CC)NCc1csc(COc2ccc(OC)cc2)n1 ZINC000466400732 1044391654 /nfs/dbraw/zinc/39/16/54/1044391654.db2.gz WMZJHGVJQSHBKG-AWEZNQCLSA-N 0 3 332.469 4.175 20 30 EIEDHN C=CC[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000494922192 1044519409 /nfs/dbraw/zinc/51/94/09/1044519409.db2.gz OAFBYQAFHCSSCW-FGZHOGPDSA-N 0 3 348.490 4.300 20 30 EIEDHN C=CC[C@H](CO)CN[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000495063583 1044630899 /nfs/dbraw/zinc/63/08/99/1044630899.db2.gz HCSXDUGGASJBAR-IFXJQAMLSA-N 0 3 333.834 4.343 20 30 EIEDHN C=CC[C@@H](CO)CN[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000495063581 1044631799 /nfs/dbraw/zinc/63/17/99/1044631799.db2.gz HCSXDUGGASJBAR-AUUYWEPGSA-N 0 3 333.834 4.343 20 30 EIEDHN COc1cccc(NC2CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000118399495 1044666513 /nfs/dbraw/zinc/66/65/13/1044666513.db2.gz XFNPUQURXHJCFE-MRXNPFEDSA-N 0 3 335.451 4.204 20 30 EIEDHN N#Cc1ccsc1NC(=O)CNC1(c2ccccc2)CCCCC1 ZINC000130339111 1044708725 /nfs/dbraw/zinc/70/87/25/1044708725.db2.gz YXSWWFWWEPCYLI-UHFFFAOYSA-N 0 3 339.464 4.007 20 30 EIEDHN N#CCOc1ccc(Cl)cc1CN(CCc1ccccc1)C1CC1 ZINC000735309743 1044796774 /nfs/dbraw/zinc/79/67/74/1044796774.db2.gz KZGRXCQIZVCQCB-UHFFFAOYSA-N 0 3 340.854 4.449 20 30 EIEDHN CCc1nc2ccccc2n1C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000093299790 1044830287 /nfs/dbraw/zinc/83/02/87/1044830287.db2.gz MDHMTVFIOABYSN-UHFFFAOYSA-N 0 3 344.462 4.307 20 30 EIEDHN C=CCOc1cccc(CN[C@@H](C)c2ccc(OC)c(OC)c2C)c1 ZINC000673618983 1044977927 /nfs/dbraw/zinc/97/79/27/1044977927.db2.gz NKZASUFXDOHRFZ-INIZCTEOSA-N 0 3 341.451 4.428 20 30 EIEDHN N#CC(C(=O)CCc1cc(Cl)cs1)c1nc2ccccc2[nH]1 ZINC000737319619 1045000527 /nfs/dbraw/zinc/00/05/27/1045000527.db2.gz ZEAUYBXQULZTHY-GFCCVEGCSA-N 0 3 329.812 4.087 20 30 EIEDHN C[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)c1cccs1 ZINC000739180570 1045121098 /nfs/dbraw/zinc/12/10/98/1045121098.db2.gz KIZQIGIPIPFNLN-GXSJLCMTSA-N 0 3 330.409 4.477 20 30 EIEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000739144840 1045125879 /nfs/dbraw/zinc/12/58/79/1045125879.db2.gz XZZUAHPKYWJLRT-VQIMIIECSA-N 0 3 342.483 4.319 20 30 EIEDHN C=CC[C@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccncc1 ZINC000766021982 1045237221 /nfs/dbraw/zinc/23/72/21/1045237221.db2.gz VRBRHLNIIASJIG-JXFKEZNVSA-N 0 3 335.451 4.176 20 30 EIEDHN N#Cc1ccc(N2CCN(Cc3ccc4ccccc4c3)CC2)cc1 ZINC000737414405 1045262437 /nfs/dbraw/zinc/26/24/37/1045262437.db2.gz ITZPULVHVJPMHK-UHFFFAOYSA-N 0 3 327.431 4.034 20 30 EIEDHN N#CCCCOc1cccc(CN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000611265347 1045268549 /nfs/dbraw/zinc/26/85/49/1045268549.db2.gz AEGTYDOGAZIQRY-NRFANRHFSA-N 0 3 336.435 4.412 20 30 EIEDHN CCCC(=O)Nc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611390441 1045292824 /nfs/dbraw/zinc/29/28/24/1045292824.db2.gz APWVNHLZHKSRGV-OAQYLSRUSA-N 0 3 347.462 4.464 20 30 EIEDHN C[C@H](NCc1cccc(C(=O)OC(C)(C)C)c1)c1cccc(C#N)c1 ZINC000611439348 1045308082 /nfs/dbraw/zinc/30/80/82/1045308082.db2.gz YKNWXEPTDJBSBF-HNNXBMFYSA-N 0 3 336.435 4.364 20 30 EIEDHN COc1ccc(CN(C)Cc2ccccc2C(C)(C)C#N)cc1F ZINC000767886766 1045661904 /nfs/dbraw/zinc/66/19/04/1045661904.db2.gz AKYLRNSOSGTVSA-UHFFFAOYSA-N 0 3 326.415 4.267 20 30 EIEDHN Cc1oc2ccccc2c1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000767955145 1045691130 /nfs/dbraw/zinc/69/11/30/1045691130.db2.gz CUGWAKGLOCFOAU-HNNXBMFYSA-N 0 3 330.343 4.301 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN(C)CCOc2ccccc2Cl)cc1 ZINC000768212523 1045754543 /nfs/dbraw/zinc/75/45/43/1045754543.db2.gz KZASNRXJSMAOJN-OAHLLOKOSA-N 0 3 344.842 4.142 20 30 EIEDHN C=CCOc1cccc(CN2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000768235000 1045758951 /nfs/dbraw/zinc/75/89/51/1045758951.db2.gz UYKVSMIFCRVEOB-JOCHJYFZSA-N 0 3 337.463 4.197 20 30 EIEDHN CCOc1ccc(C2=CCN(Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000768776903 1045840982 /nfs/dbraw/zinc/84/09/82/1045840982.db2.gz IDIMKPSSQBEVHH-UHFFFAOYSA-N 0 3 348.446 4.277 20 30 EIEDHN Cc1ccccc1C[NH+]1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000915983076 1045854755 /nfs/dbraw/zinc/85/47/55/1045854755.db2.gz PAKQNBXLZPNNHM-XKZIYDEJSA-N 0 3 342.870 4.438 20 30 EIEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@H](C)Cc1ccccc1Cl)C2 ZINC001170285186 1045987841 /nfs/dbraw/zinc/98/78/41/1045987841.db2.gz RCNHXYDYWYUFTJ-KPFFTGBYSA-N 0 3 349.902 4.097 20 30 EIEDHN Cc1nc2c(s1)CN(C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170389227 1046027007 /nfs/dbraw/zinc/02/70/07/1046027007.db2.gz NLLRXYQNZHVJEP-UHFFFAOYSA-N 0 3 337.492 4.214 20 30 EIEDHN N#Cc1ccc([C@H](O)CN2CCCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000770000274 1046126154 /nfs/dbraw/zinc/12/61/54/1046126154.db2.gz AVVCPUISESOAML-WOJBJXKFSA-N 0 3 340.854 4.472 20 30 EIEDHN C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000793564673 1046294546 /nfs/dbraw/zinc/29/45/46/1046294546.db2.gz JBAKCLHBPOLXBQ-CVEARBPZSA-N 0 3 327.476 4.351 20 30 EIEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000916907116 1046457854 /nfs/dbraw/zinc/45/78/54/1046457854.db2.gz UQEOLYOQIQSZLD-UKRRQHHQSA-N 0 3 340.810 4.181 20 30 EIEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000917000939 1046550252 /nfs/dbraw/zinc/55/02/52/1046550252.db2.gz DMAFWILKNZTTAT-GOSISDBHSA-N 0 3 335.369 4.427 20 30 EIEDHN N#Cc1sc(N[C@H](CN2CCCCC2)c2ccccc2)nc1Cl ZINC000804499245 1046556866 /nfs/dbraw/zinc/55/68/66/1046556866.db2.gz ATZLVLJLKQUBJX-CQSZACIVSA-N 0 3 346.887 4.307 20 30 EIEDHN N#Cc1cccc(OCCN2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000917095586 1046705627 /nfs/dbraw/zinc/70/56/27/1046705627.db2.gz NHUULQUAXNAJMS-UHFFFAOYSA-N 0 3 343.430 4.208 20 30 EIEDHN COc1ccccc1[C@H](C/N=C/c1ccccc1O)N1CCCCC1 ZINC000917559291 1046971567 /nfs/dbraw/zinc/97/15/67/1046971567.db2.gz KEXRDBODXVLNPR-OMNSNBSWSA-N 0 3 338.451 4.047 20 30 EIEDHN C=CCCC[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000537185800 1047025284 /nfs/dbraw/zinc/02/52/84/1047025284.db2.gz VBQPDCFNIQXVRC-RBUKOAKNSA-N 0 3 343.515 4.037 20 30 EIEDHN C=CCCC[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000537185798 1047025557 /nfs/dbraw/zinc/02/55/57/1047025557.db2.gz VBQPDCFNIQXVRC-MOPGFXCFSA-N 0 3 343.515 4.037 20 30 EIEDHN C#CCOc1ccc([C@H](C)N[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000806175815 1047163598 /nfs/dbraw/zinc/16/35/98/1047163598.db2.gz FUKZSQXWVURNAQ-YWZLYKJASA-N 0 3 343.854 4.126 20 30 EIEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(-n2cccn2)c1 ZINC000537406631 1047199617 /nfs/dbraw/zinc/19/96/17/1047199617.db2.gz FTSUWCYSLUBVDG-GJZGRUSLSA-N 0 3 334.398 4.295 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000788641293 1047258142 /nfs/dbraw/zinc/25/81/42/1047258142.db2.gz CQDWWWZTSZVLTN-OXJNMPFZSA-N 0 3 336.435 4.240 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2oc3c(c2C)c(C)ccc3C)CC1 ZINC000106034278 1047658733 /nfs/dbraw/zinc/65/87/33/1047658733.db2.gz MOGRXTHUBZKTAU-UHFFFAOYSA-N 0 3 340.467 4.128 20 30 EIEDHN C=C[C@H](CC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000533919628 1047693436 /nfs/dbraw/zinc/69/34/36/1047693436.db2.gz SGWCZGGVRZPUKD-WOIUINJBSA-N 0 3 348.490 4.298 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2ccc(Cl)cc2)c([O-])c1 ZINC000814183274 1047880709 /nfs/dbraw/zinc/88/07/09/1047880709.db2.gz IFLPOBSKEHQDKB-CIPMJJFUSA-N 0 3 346.858 4.044 20 30 EIEDHN C#CCOc1ccccc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808707660 1048052807 /nfs/dbraw/zinc/05/28/07/1048052807.db2.gz UZDJWBLIGQYGEP-CQSZACIVSA-N 0 3 329.827 4.217 20 30 EIEDHN N#CCCC[C@H](NCC(=O)NC1CCCCCCC1)c1ccccc1 ZINC000814658851 1048103810 /nfs/dbraw/zinc/10/38/10/1048103810.db2.gz HMUPZCAWMDZGRP-FQEVSTJZSA-N 0 3 341.499 4.240 20 30 EIEDHN C=CCC[C@@H](NCCOc1ncccc1C(F)(F)F)c1ccco1 ZINC000556886694 1048104189 /nfs/dbraw/zinc/10/41/89/1048104189.db2.gz NWQKBMZTJGFLPG-CQSZACIVSA-N 0 3 340.345 4.369 20 30 EIEDHN O=C1C=C2CN(Cc3ccc(C(F)(F)F)c(Cl)c3)CCC2S1 ZINC001143806064 1048214825 /nfs/dbraw/zinc/21/48/25/1048214825.db2.gz XBKMAIKHBYSLBY-ZDUSSCGKSA-N 0 3 347.789 4.133 20 30 EIEDHN C#Cc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000809609579 1048415682 /nfs/dbraw/zinc/41/56/82/1048415682.db2.gz GYPCUYALBBVBEG-HNNXBMFYSA-N 0 3 333.410 4.152 20 30 EIEDHN C#Cc1ccc(CNCc2cc(Cl)c(OCC)c(OC)c2)cc1 ZINC000809608512 1048416286 /nfs/dbraw/zinc/41/62/86/1048416286.db2.gz USOMYJQEECLKMC-UHFFFAOYSA-N 0 3 329.827 4.018 20 30 EIEDHN C#Cc1ccc(CN[C@@H]2CCc3c2cccc3Br)cc1 ZINC000809617418 1048421617 /nfs/dbraw/zinc/42/16/17/1048421617.db2.gz QGCBLCPQHZMATR-GOSISDBHSA-N 0 3 326.237 4.208 20 30 EIEDHN C#C[C@@H](NCc1ccc(OCc2cccs2)c(OC)c1)C(C)C ZINC000809685451 1048473086 /nfs/dbraw/zinc/47/30/86/1048473086.db2.gz UZFATWZVGZOTND-QGZVFWFLSA-N 0 3 329.465 4.083 20 30 EIEDHN C#C[C@@H](CC)NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000809686155 1048475015 /nfs/dbraw/zinc/47/50/15/1048475015.db2.gz VYIGLJBFPJSOAC-HNNXBMFYSA-N 0 3 326.827 4.094 20 30 EIEDHN N#Cc1ccc(CC2CCN(Cc3n[nH]c4ccc(F)cc43)CC2)cc1 ZINC001144199760 1048491171 /nfs/dbraw/zinc/49/11/71/1048491171.db2.gz SAWKTACFDHSPIZ-UHFFFAOYSA-N 0 3 348.425 4.028 20 30 EIEDHN C#CCSCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815594354 1048527675 /nfs/dbraw/zinc/52/76/75/1048527675.db2.gz MSCQRSLFSXVMQP-IBGZPJMESA-N 0 3 325.477 4.022 20 30 EIEDHN C#Cc1ccc(CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000809789657 1048534818 /nfs/dbraw/zinc/53/48/18/1048534818.db2.gz WXBQNHMMKLLVFY-XZOQPEGZSA-N 0 3 327.427 4.232 20 30 EIEDHN N#Cc1ccc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])nc1 ZINC000815618285 1048543415 /nfs/dbraw/zinc/54/34/15/1048543415.db2.gz IGWPRASBTUEAMU-NRFANRHFSA-N 0 3 343.430 4.123 20 30 EIEDHN C[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C(C)(F)F ZINC000815913722 1048641022 /nfs/dbraw/zinc/64/10/22/1048641022.db2.gz ZFDXBBOIYWORAI-APPZFPTMSA-N 0 3 328.771 4.417 20 30 EIEDHN CC(C)Oc1ccc([C@H]2CCC[C@H]2NCc2nc(C#N)cs2)cc1 ZINC000810151813 1048657899 /nfs/dbraw/zinc/65/78/99/1048657899.db2.gz PFOCXJJXUSPTOJ-QZTJIDSGSA-N 0 3 341.480 4.228 20 30 EIEDHN CCN(CC)c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1F ZINC000810216649 1048685862 /nfs/dbraw/zinc/68/58/62/1048685862.db2.gz MJZWKNKWKCSCTE-FQEVSTJZSA-N 0 3 337.442 4.321 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1nc(-c2ccccc2)cs1 ZINC001171189735 1048687665 /nfs/dbraw/zinc/68/76/65/1048687665.db2.gz KMWFVHFNCYRONI-HNNXBMFYSA-N 0 3 333.460 4.403 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1c(F)cccc1Br ZINC001171202260 1048759990 /nfs/dbraw/zinc/75/99/90/1048759990.db2.gz YMSYTNHAKLTPNX-LBPRGKRZSA-N 0 3 347.231 4.181 20 30 EIEDHN C[C@H]1[C@H](OC(=O)CCCCCC#N)CCCN1Cc1ccccc1 ZINC000816470372 1048808000 /nfs/dbraw/zinc/80/80/00/1048808000.db2.gz MQWYUASZNKRYNM-PKOBYXMFSA-N 0 3 328.456 4.057 20 30 EIEDHN C#CCN1CCC(C(=O)Nc2ccccc2Oc2cccc(C)c2)CC1 ZINC000921302034 1048920569 /nfs/dbraw/zinc/92/05/69/1048920569.db2.gz LYPQJBBOWNBAOT-UHFFFAOYSA-N 0 3 348.446 4.071 20 30 EIEDHN N#CCC1(N[C@@H]2CCc3ccc(Br)cc3C2)CCCC1 ZINC001170867599 1048963019 /nfs/dbraw/zinc/96/30/19/1048963019.db2.gz JDRDJVPGQAZJKT-MRXNPFEDSA-N 0 3 333.273 4.122 20 30 EIEDHN COc1ccc([C@H](NCc2ccc(OCC#N)cc2)C(C)C)c(F)c1 ZINC000817578465 1049009572 /nfs/dbraw/zinc/00/95/72/1049009572.db2.gz LGHFKLFXNCWSDX-HXUWFJFHSA-N 0 3 342.414 4.224 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2SC(C)C)CC1 ZINC000135392500 1049144780 /nfs/dbraw/zinc/14/47/80/1049144780.db2.gz RYPOOELIDRKYOD-UHFFFAOYSA-N 0 3 347.528 4.349 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc3c(c2)CCO3)c1 ZINC000772983459 1049197423 /nfs/dbraw/zinc/19/74/23/1049197423.db2.gz KINBHJUSJRSAHD-HNAYVOBHSA-N 0 3 336.435 4.153 20 30 EIEDHN Cc1sc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000078730801 1049278824 /nfs/dbraw/zinc/27/88/24/1049278824.db2.gz SZPIFUXGHTZFHP-GOSISDBHSA-N 0 3 341.480 4.162 20 30 EIEDHN C[C@@H](NN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1)c1ccncc1 ZINC000819818477 1049375314 /nfs/dbraw/zinc/37/53/14/1049375314.db2.gz MQOFMYBKSABSNY-IIBYNOLFSA-N 0 3 334.467 4.088 20 30 EIEDHN CN(C)[C@H](CNc1ccc(C#N)cc1C(F)(F)F)c1ccsc1 ZINC000609961263 1049420217 /nfs/dbraw/zinc/42/02/17/1049420217.db2.gz FXVXUGZOAGFYKN-OAHLLOKOSA-N 0 3 339.386 4.353 20 30 EIEDHN C=C(C)COc1cccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)c1 ZINC001136596608 1049772217 /nfs/dbraw/zinc/77/22/17/1049772217.db2.gz NBRZWKGWAVBKSL-FQEVSTJZSA-N 0 3 342.483 4.377 20 30 EIEDHN CC[C@@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172051069 1049842898 /nfs/dbraw/zinc/84/28/98/1049842898.db2.gz DYPPQQSLOLNEHW-IRXDYDNUSA-N 0 3 349.519 4.371 20 30 EIEDHN CC[C@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172051066 1049843456 /nfs/dbraw/zinc/84/34/56/1049843456.db2.gz DYPPQQSLOLNEHW-IAGOWNOFSA-N 0 3 349.519 4.371 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)NCC(=O)c1ccc(Cl)c(Cl)c1 ZINC001172301851 1049873408 /nfs/dbraw/zinc/87/34/08/1049873408.db2.gz YFFOWBAMMMQNNV-GFCCVEGCSA-N 0 3 347.245 4.269 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC001172310001 1049874895 /nfs/dbraw/zinc/87/48/95/1049874895.db2.gz ZFOAQLDOJNJPBH-JPYJTQIMSA-N 0 3 341.458 4.396 20 30 EIEDHN Cc1cc(CN(Cc2ccccc2)[C@@H](C)Cc2ccc(C#N)cc2)on1 ZINC001172311702 1049875331 /nfs/dbraw/zinc/87/53/31/1049875331.db2.gz WELULNZQBWBFLK-SFHVURJKSA-N 0 3 345.446 4.488 20 30 EIEDHN C[C@@H](CCCC#N)N[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC001172490626 1049920430 /nfs/dbraw/zinc/92/04/30/1049920430.db2.gz JGAQMXVDNPAIIR-OXJNMPFZSA-N 0 3 332.451 4.335 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2sccc2s1 ZINC000617896347 1050123073 /nfs/dbraw/zinc/12/30/73/1050123073.db2.gz HXGXDHSLCMLKPL-JTQLQIEISA-N 0 3 337.429 4.340 20 30 EIEDHN C[C@@H](Cc1ccc(F)cc1Cl)NC(=N)c1ccc2ccccc2n1 ZINC001172861420 1050198393 /nfs/dbraw/zinc/19/83/93/1050198393.db2.gz RJWLOLICMDHUNT-LBPRGKRZSA-N 0 3 341.817 4.364 20 30 EIEDHN C[C@@H](CSc1ccc(Cl)cc1)N1CCC2SC(=O)C=C2C1 ZINC001172875735 1050216120 /nfs/dbraw/zinc/21/61/20/1050216120.db2.gz AYOQQYOQDGPWQO-NHYWBVRUSA-N 0 3 339.913 4.095 20 30 EIEDHN C[C@@H](CSc1ccc(Cl)cc1)N1CC[C@@H]2SC(=O)C=C2C1 ZINC001172875735 1050216127 /nfs/dbraw/zinc/21/61/27/1050216127.db2.gz AYOQQYOQDGPWQO-NHYWBVRUSA-N 0 3 339.913 4.095 20 30 EIEDHN C=C[C@@H](N[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001173065085 1050278337 /nfs/dbraw/zinc/27/83/37/1050278337.db2.gz UHHOFSNAFHGZMQ-KBAYOESNSA-N 0 3 330.472 4.291 20 30 EIEDHN C=C[C@@H](N[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001173065084 1050279365 /nfs/dbraw/zinc/27/93/65/1050279365.db2.gz UHHOFSNAFHGZMQ-CGTJXYLNSA-N 0 3 330.472 4.291 20 30 EIEDHN N#Cc1ccc(F)cc1S[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001186756616 1050407141 /nfs/dbraw/zinc/40/71/41/1050407141.db2.gz DKZWQEIHVRCLLD-GOSISDBHSA-N 0 3 326.440 4.454 20 30 EIEDHN CC[C@@H](N[C@H](Cn1cccn1)c1ccccc1)c1ccc(C#N)cc1 ZINC000618569070 1050418972 /nfs/dbraw/zinc/41/89/72/1050418972.db2.gz CZNKROVZTAXGFQ-NHCUHLMSSA-N 0 3 330.435 4.237 20 30 EIEDHN CC(C)(C)OC(=O)c1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742703 1050500542 /nfs/dbraw/zinc/50/05/42/1050500542.db2.gz PUMNKMNGKVBLCN-HXUWFJFHSA-N 0 3 348.446 4.291 20 30 EIEDHN CCCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618740999 1050501726 /nfs/dbraw/zinc/50/17/26/1050501726.db2.gz BGVKQZPDXJRZAF-LJQANCHMSA-N 0 3 336.435 4.133 20 30 EIEDHN N#CC1(CN[C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CCC1 ZINC001173700265 1050545410 /nfs/dbraw/zinc/54/54/10/1050545410.db2.gz GWSJGAWHLNTAOT-OAQYLSRUSA-N 0 3 346.474 4.406 20 30 EIEDHN CCN1CCN(c2ccc(N[C@H](C)c3cccc(C#N)c3)c(C)c2)CC1 ZINC000182565347 1050747213 /nfs/dbraw/zinc/74/72/13/1050747213.db2.gz DRYALQLAAPAWHL-GOSISDBHSA-N 0 3 348.494 4.182 20 30 EIEDHN C[C@H](N[C@@H]1CCCc2nn(-c3ccccc3)cc21)c1cccc(C#N)c1 ZINC000619465696 1050789693 /nfs/dbraw/zinc/78/96/93/1050789693.db2.gz NLXGNFWZYZGGKB-HRAATJIYSA-N 0 3 342.446 4.472 20 30 EIEDHN COc1cccc2c1OCC[C@@H]2N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508363 1050793587 /nfs/dbraw/zinc/79/35/87/1050793587.db2.gz JKQKXLUMLUOUDL-PMACEKPBSA-N 0 3 348.446 4.448 20 30 EIEDHN COc1ccc(C(N[C@H]2CC[C@@H](C#N)C2)c2ccc(OC)cc2)cc1 ZINC000619672385 1050851768 /nfs/dbraw/zinc/85/17/68/1050851768.db2.gz NPVNQARBWAUHIJ-QAPCUYQASA-N 0 3 336.435 4.075 20 30 EIEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(-n2ccnc2)cc1 ZINC000619754577 1050882687 /nfs/dbraw/zinc/88/26/87/1050882687.db2.gz DSKRKHOJJHIWIK-AWEZNQCLSA-N 0 3 336.826 4.248 20 30 EIEDHN N#Cc1ccc(CNCc2cccc(Br)c2)cc1Cl ZINC000619748521 1050893819 /nfs/dbraw/zinc/89/38/19/1050893819.db2.gz NHNZTMYRBFMBFQ-UHFFFAOYSA-N 0 3 335.632 4.264 20 30 EIEDHN N#Cc1ccc(CNCc2ccc(Br)cc2)cc1Cl ZINC000619749081 1050896335 /nfs/dbraw/zinc/89/63/35/1050896335.db2.gz CZJBFONIPGRTQS-UHFFFAOYSA-N 0 3 335.632 4.264 20 30 EIEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2cc(C)cc(C)c2)c(C#N)c1C ZINC000182935384 1050910157 /nfs/dbraw/zinc/91/01/57/1050910157.db2.gz MLXQQSONUQNXQB-GJZGRUSLSA-N 0 3 339.439 4.063 20 30 EIEDHN CN(Cc1ccc(N(C)CCC#N)cc1)Cc1ccc(F)c(Cl)c1 ZINC000763620100 1051134476 /nfs/dbraw/zinc/13/44/76/1051134476.db2.gz DWIALVCPFFQZKJ-UHFFFAOYSA-N 0 3 345.849 4.461 20 30 EIEDHN C#CCCN(CCOC)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC001174846510 1051208421 /nfs/dbraw/zinc/20/84/21/1051208421.db2.gz VXUOPIWKOJYESN-UHFFFAOYSA-N 0 3 345.389 4.229 20 30 EIEDHN C=C(CNCc1cnn(Cc2ccccc2Cl)c1)c1ccccc1 ZINC000620757029 1051274512 /nfs/dbraw/zinc/27/45/12/1051274512.db2.gz ZBZZITHUKZHMJK-UHFFFAOYSA-N 0 3 337.854 4.388 20 30 EIEDHN COc1ccccc1[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001191182135 1051390453 /nfs/dbraw/zinc/39/04/53/1051390453.db2.gz PFYZEJJWVKKELB-MRXNPFEDSA-N 0 3 326.827 4.210 20 30 EIEDHN COc1cccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000155438325 1051419216 /nfs/dbraw/zinc/41/92/16/1051419216.db2.gz KFOZEZMBMBYHDR-INIZCTEOSA-N 0 3 349.415 4.065 20 30 EIEDHN CCCCN(CC)[C@H](C(=O)N[C@H](C#N)c1ccccc1)c1ccccc1 ZINC001182230826 1051429212 /nfs/dbraw/zinc/42/92/12/1051429212.db2.gz FFIRQFUUOBAROG-RTWAWAEBSA-N 0 3 349.478 4.231 20 30 EIEDHN CCCCN(CC)[C@H](C(=O)N[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC001182230827 1051430281 /nfs/dbraw/zinc/43/02/81/1051430281.db2.gz FFIRQFUUOBAROG-SFTDATJTSA-N 0 3 349.478 4.231 20 30 EIEDHN N#CCCN(CCCCOc1ccccc1C(F)(F)F)CC1CC1 ZINC001191367868 1051444395 /nfs/dbraw/zinc/44/43/95/1051444395.db2.gz VGUGDVNRNUZZFI-UHFFFAOYSA-N 0 3 340.389 4.490 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](CC)c2ccc(C#N)cc2)c1 ZINC000774241248 1051513913 /nfs/dbraw/zinc/51/39/13/1051513913.db2.gz BBVGNEAFDUCQAJ-TZIWHRDSSA-N 0 3 333.435 4.480 20 30 EIEDHN Fc1ccc([C@H](CC(F)(F)F)NCCCOC(F)(F)F)cc1 ZINC001192681971 1051789828 /nfs/dbraw/zinc/78/98/28/1051789828.db2.gz SCMYRWRNYJBVGX-NSHDSACASA-N 0 3 333.247 4.335 20 30 EIEDHN CC[C@H](NCC#Cc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC001192681059 1051789924 /nfs/dbraw/zinc/78/99/24/1051789924.db2.gz CXENOPBLYUYYGQ-SFHVURJKSA-N 0 3 341.838 4.204 20 30 EIEDHN C#Cc1ccc(NC(=O)CCN[C@@H](C)c2ccc(Cl)c(F)c2)cc1 ZINC001192831741 1051816430 /nfs/dbraw/zinc/81/64/30/1051816430.db2.gz DSZDXYHSEPPGLV-ZDUSSCGKSA-N 0 3 344.817 4.140 20 30 EIEDHN Clc1ccc(C#CCN2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC001193011039 1051851887 /nfs/dbraw/zinc/85/18/87/1051851887.db2.gz FMRPSONMATVZAI-LJQANCHMSA-N 0 3 349.865 4.206 20 30 EIEDHN CC[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001193210572 1051887304 /nfs/dbraw/zinc/88/73/04/1051887304.db2.gz OIECMCVOJNRYAL-PGRDOPGGSA-N 0 3 333.479 4.216 20 30 EIEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cc2ccccc2s1 ZINC000184352417 1051915235 /nfs/dbraw/zinc/91/52/35/1051915235.db2.gz NGOXPLNJNITUBR-KGLIPLIRSA-N 0 3 349.459 4.451 20 30 EIEDHN CC(C)[C@H](CN1CCO[C@@H](c2ccc(C#N)cc2)C1)c1ccccc1 ZINC001184044982 1051943480 /nfs/dbraw/zinc/94/34/80/1051943480.db2.gz GTAJJGDUYHNBIX-FCHUYYIVSA-N 0 3 334.463 4.371 20 30 EIEDHN CC(C)(CCN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C1CC1 ZINC001193991482 1052054062 /nfs/dbraw/zinc/05/40/62/1052054062.db2.gz VDHVONWUCIXJQB-LJQANCHMSA-N 0 3 345.918 4.349 20 30 EIEDHN C=CCN1CCC(NC(=O)N(CCCC)[C@@H](C)c2ccccc2)CC1 ZINC000171739212 1052446624 /nfs/dbraw/zinc/44/66/24/1052446624.db2.gz ICCFMXSQKZVAEH-SFHVURJKSA-N 0 3 343.515 4.210 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc(OC(F)F)c2)c1 ZINC000733800078 1053049715 /nfs/dbraw/zinc/04/97/15/1053049715.db2.gz GFWBWUXGSHYFQH-INIZCTEOSA-N 0 3 346.377 4.259 20 30 EIEDHN N#Cc1ccc(OCCCN2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC001194754685 1053092964 /nfs/dbraw/zinc/09/29/64/1053092964.db2.gz JHSLZUAUPPJJJY-UHFFFAOYSA-N 0 3 344.817 4.178 20 30 EIEDHN C[C@@H](CN(Cc1ccc(Cl)cc1C#N)[C@@H](C)CO)c1ccccc1 ZINC001194755007 1053093192 /nfs/dbraw/zinc/09/31/92/1053093192.db2.gz MNLLPOLVSDXIGY-HOTGVXAUSA-N 0 3 342.870 4.198 20 30 EIEDHN COc1cccc(C2(NCc3ccc(O[C@H](C)C#N)cc3)CCC2)c1 ZINC000850404594 1053177307 /nfs/dbraw/zinc/17/73/07/1053177307.db2.gz BFWCNINTESKPBS-MRXNPFEDSA-N 0 3 336.435 4.155 20 30 EIEDHN Cc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)c2nc3ccccc3o2)cc1C ZINC000850782496 1053359292 /nfs/dbraw/zinc/35/92/92/1053359292.db2.gz MYLHYSAAXFEUBD-GVDBMIGSSA-N 0 3 330.387 4.425 20 30 EIEDHN COc1ccc([C@@H]2C[C@H]2CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000850781713 1053360225 /nfs/dbraw/zinc/36/02/25/1053360225.db2.gz CKWMLHIIPGHJPY-BHYGNILZSA-N 0 3 346.386 4.206 20 30 EIEDHN N#CC(C(=O)CC[C@H]1CC1(Cl)Cl)c1nccc2ccccc21 ZINC000850985161 1053397758 /nfs/dbraw/zinc/39/77/58/1053397758.db2.gz GDCDRDLFEBMGQL-GXTWGEPZSA-N 0 3 333.218 4.385 20 30 EIEDHN CN(C)c1ccc(C#N)cc1CNCc1ccccc1CC(F)(F)F ZINC000865645496 1053566977 /nfs/dbraw/zinc/56/69/77/1053566977.db2.gz DMICQMRJSIRNDQ-UHFFFAOYSA-N 0 3 347.384 4.019 20 30 EIEDHN CC(C)(C)OC(=O)Nc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000852319284 1053568700 /nfs/dbraw/zinc/56/87/00/1053568700.db2.gz JKDDWLUYMIFWCR-HNNXBMFYSA-N 0 3 329.444 4.159 20 30 EIEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852711217 1053604246 /nfs/dbraw/zinc/60/42/46/1053604246.db2.gz CXHOWESYPUSDNZ-ZNMIVQPWSA-N 0 3 341.480 4.126 20 30 EIEDHN CCCC(=O)Nc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000921535455 1053719256 /nfs/dbraw/zinc/71/92/56/1053719256.db2.gz BFADGGRTHTZQNR-UHFFFAOYSA-N 0 3 335.451 4.204 20 30 EIEDHN CCOCCN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001196889518 1053791810 /nfs/dbraw/zinc/79/18/10/1053791810.db2.gz SZCVIBRRIQKQQT-OAQYLSRUSA-N 0 3 338.426 4.223 20 30 EIEDHN C=CCc1cc(CN[C@@H](C)c2ccc(F)cc2)cc(OC)c1OC ZINC000112538666 1053838816 /nfs/dbraw/zinc/83/88/16/1053838816.db2.gz XPUMNBISLWVPDC-AWEZNQCLSA-N 0 3 329.415 4.422 20 30 EIEDHN CC(C)c1ccc([C@H](C)CC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000121836601 1053850682 /nfs/dbraw/zinc/85/06/82/1053850682.db2.gz ZDGXLMSBFDVTIA-DNVCBOLYSA-N 0 3 340.467 4.071 20 30 EIEDHN CC(C)c1ccc([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccccn2)cc1 ZINC000121861851 1053853643 /nfs/dbraw/zinc/85/36/43/1053853643.db2.gz BDTMVSVHJUWESL-QAPCUYQASA-N 0 3 349.434 4.046 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(F)cc2C)ccc1OC ZINC000113348228 1053926304 /nfs/dbraw/zinc/92/63/04/1053926304.db2.gz BIKZFDIYXZHBBA-GOSISDBHSA-N 0 3 342.414 4.114 20 30 EIEDHN N#Cc1ccc(OC2CCN(Cc3ccccc3)CC2)cc1Cl ZINC001203314804 1054094240 /nfs/dbraw/zinc/09/42/40/1054094240.db2.gz CYUAWDLXOPOKKQ-UHFFFAOYSA-N 0 3 326.827 4.255 20 30 EIEDHN CCS[C@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)C(C)C ZINC000114619321 1054115076 /nfs/dbraw/zinc/11/50/76/1054115076.db2.gz KAUOYUHVBDWUJI-BBRMVZONSA-N 0 3 345.493 4.159 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CCCc2ccccc2)c1 ZINC000776078059 1054525303 /nfs/dbraw/zinc/52/53/03/1054525303.db2.gz SVTCBRXQYXJNNN-FXAWDEMLSA-N 0 3 348.446 4.301 20 30 EIEDHN N#Cc1ccc(F)c(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001201477574 1054828651 /nfs/dbraw/zinc/82/86/51/1054828651.db2.gz IOXDXDJQTCERBW-MOPGFXCFSA-N 0 3 333.410 4.430 20 30 EIEDHN N#CC(C(=O)c1ccc(C(F)(F)F)s1)c1nc2ccccc2[nH]1 ZINC000671745206 1054914246 /nfs/dbraw/zinc/91/42/46/1054914246.db2.gz BOMDKMMNUSTGTN-MRVPVSSYSA-N 0 3 335.310 4.133 20 30 EIEDHN N#Cc1cnc(Cl)c(CN[C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000877491507 1055063416 /nfs/dbraw/zinc/06/34/16/1055063416.db2.gz KWXWSZLSIRUCOU-YOEHRIQHSA-N 0 3 329.806 4.172 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(C)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000877902890 1055147859 /nfs/dbraw/zinc/14/78/59/1055147859.db2.gz HVKCIQFAWDGFHB-DHIUTWEWSA-N 0 3 346.474 4.436 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN1CC[C@@H](c2cccc(C)c2)C1)c1ccccc1 ZINC000878404962 1055289850 /nfs/dbraw/zinc/28/98/50/1055289850.db2.gz ACGMCHWJZYDUPR-GGAORHGYSA-N 0 3 346.474 4.225 20 30 EIEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](c2cccc(C)c2)C1)c1ccccc1 ZINC000878404961 1055290461 /nfs/dbraw/zinc/29/04/61/1055290461.db2.gz ACGMCHWJZYDUPR-FYYLOGMGSA-N 0 3 346.474 4.225 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN1CC[C@H](c2ccc(C)cc2)C1)c1ccccc1 ZINC000878405589 1055294641 /nfs/dbraw/zinc/29/46/41/1055294641.db2.gz IHBRZFCKTOVZGA-GMAHTHKFSA-N 0 3 346.474 4.225 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(C)[C@H](C)Cc1ccccc1C)c1ccccc1 ZINC000878520013 1055332415 /nfs/dbraw/zinc/33/24/15/1055332415.db2.gz FKRDUFXQSDCBMN-AUSIDOKSSA-N 0 3 348.490 4.299 20 30 EIEDHN CN(Cc1ccc(C#N)cc1F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273384215 1055794880 /nfs/dbraw/zinc/79/48/80/1055794880.db2.gz DARIETOHRRCRTR-QUCCMNQESA-N 0 3 342.389 4.189 20 30 EIEDHN CN(Cc1ccc(C#N)cc1F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273384208 1055795673 /nfs/dbraw/zinc/79/56/73/1055795673.db2.gz DARIETOHRRCRTR-AZUAARDMSA-N 0 3 342.389 4.189 20 30 EIEDHN CN(Cc1cc(C#N)ccc1F)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273420793 1055808232 /nfs/dbraw/zinc/80/82/32/1055808232.db2.gz JTZRCEDCZJRZTI-UYAOXDASSA-N 0 3 342.389 4.189 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000302085575 1056015305 /nfs/dbraw/zinc/01/53/05/1056015305.db2.gz DVUHPMWHLFOFBG-JXFKEZNVSA-N 0 3 347.462 4.226 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921744251 1056392280 /nfs/dbraw/zinc/39/22/80/1056392280.db2.gz UGCKHZOOOLXSGU-IBGZPJMESA-N 0 3 333.435 4.146 20 30 EIEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C#N ZINC000072707069 1056461692 /nfs/dbraw/zinc/46/16/92/1056461692.db2.gz BTUDMRHTBBLHBL-HZPDHXFCSA-N 0 3 347.462 4.115 20 30 EIEDHN CCOc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000075755774 1056810999 /nfs/dbraw/zinc/81/09/99/1056810999.db2.gz OMNQYGUQLPDCDF-ZDUSSCGKSA-N 0 3 346.377 4.409 20 30 EIEDHN CCO[C@@H]1C[C@@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])C12CCCC2 ZINC000743043798 1058848634 /nfs/dbraw/zinc/84/86/34/1058848634.db2.gz ADTWWYLHFFOTGY-MMKSPSFCSA-N 0 3 344.499 4.395 20 30 EIEDHN C#CCCCN[C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000743484278 1059016241 /nfs/dbraw/zinc/01/62/41/1059016241.db2.gz CKUDTOIQCKQOSI-IBGZPJMESA-N 0 3 340.854 4.331 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccccc2)cc1 ZINC000746156533 1060051473 /nfs/dbraw/zinc/05/14/73/1060051473.db2.gz LKSLURTTZMJNDN-QHCPKHFHSA-N 0 3 342.442 4.294 20 30 EIEDHN C#C[C@H](N[C@@H](C)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC001205990887 1060261870 /nfs/dbraw/zinc/26/18/70/1060261870.db2.gz XBQBYTWHTKKKBJ-UGSOOPFHSA-N 0 3 346.243 4.483 20 30 EIEDHN C=C(CC)CN[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001169270661 1060755313 /nfs/dbraw/zinc/75/53/13/1060755313.db2.gz JCJRJRUCRXASPV-FUHWJXTLSA-N 0 3 338.854 4.085 20 30 EIEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCc3ccccc3OC2)cc1 ZINC001169717257 1060915936 /nfs/dbraw/zinc/91/59/36/1060915936.db2.gz YVQZKKYEXDFNMQ-GOSISDBHSA-N 0 3 345.364 4.040 20 30 EIEDHN C=CC[C@H]1N(CC(=O)Nc2ccc(SC)cc2)CCCC1(C)C ZINC001169845102 1060996672 /nfs/dbraw/zinc/99/66/72/1060996672.db2.gz RWHYHFNCZWYNQD-QGZVFWFLSA-N 0 3 332.513 4.414 20 30 EIEDHN C=CC[C@@H]1N(CC(=O)Nc2ccc(SC)cc2)CCCC1(C)C ZINC001169845100 1060998470 /nfs/dbraw/zinc/99/84/70/1060998470.db2.gz RWHYHFNCZWYNQD-KRWDZBQOSA-N 0 3 332.513 4.414 20 30 EIEDHN C=CCSc1ccccc1NC(=O)CN(CC1CC1)CC1CC1 ZINC000533058506 1032463615 /nfs/dbraw/zinc/46/36/15/1032463615.db2.gz KQLJYJZRZNTNKK-UHFFFAOYSA-N 0 3 330.497 4.025 20 30 EIEDHN COc1ccc(CN2CCC(c3c[nH]c4ccccc43)CC2)cc1C#N ZINC000533079662 1032480472 /nfs/dbraw/zinc/48/04/72/1032480472.db2.gz CDECEPZVKWDOGL-UHFFFAOYSA-N 0 3 345.446 4.428 20 30 EIEDHN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCc1ccc(C#N)cc1F ZINC000533446298 1032777459 /nfs/dbraw/zinc/77/74/59/1032777459.db2.gz RKSRASLCTZDKHI-KPZWWZAWSA-N 0 3 332.806 4.217 20 30 EIEDHN N#CC(C(=O)CCCOc1cccc2ccccc21)c1ccccn1 ZINC000049457979 1018754328 /nfs/dbraw/zinc/75/43/28/1018754328.db2.gz HHHKTAYPGKNSLF-GOSISDBHSA-N 0 3 330.387 4.270 20 30 EIEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429577268 1032788242 /nfs/dbraw/zinc/78/82/42/1032788242.db2.gz FDHWYZSGPBMAIK-PMPSAXMXSA-N 0 3 345.512 4.140 20 30 EIEDHN N#Cc1cccc([C@@H](O)CN2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC001167064700 1019220962 /nfs/dbraw/zinc/22/09/62/1019220962.db2.gz XSHWWRGJUAXPFN-OALUTQOASA-N 0 3 326.827 4.082 20 30 EIEDHN N#Cc1cccc(CN(Cc2ccccc2)CC2CCOCC2)c1F ZINC000512463331 1032833537 /nfs/dbraw/zinc/83/35/37/1032833537.db2.gz PSXSCQIFFQZFBF-UHFFFAOYSA-N 0 3 338.426 4.126 20 30 EIEDHN C=CC[C@@H](C)N[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000116907905 1020193189 /nfs/dbraw/zinc/19/31/89/1020193189.db2.gz JKBFSHXRNDIPCQ-OXQOHEQNSA-N 0 3 338.451 4.238 20 30 EIEDHN C=CC[C@H](C)N[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000116907903 1020194054 /nfs/dbraw/zinc/19/40/54/1020194054.db2.gz JKBFSHXRNDIPCQ-JXFKEZNVSA-N 0 3 338.451 4.238 20 30 EIEDHN C=CCCCCCN1CCc2c(c(COC(C)C)nn2CC2CC2)C1 ZINC001209422779 1020304446 /nfs/dbraw/zinc/30/44/46/1020304446.db2.gz IHMCOXNGGRCMNG-UHFFFAOYSA-N 0 3 345.531 4.323 20 30 EIEDHN C=CCCCCCCCCN1CCc2c(c(COCC=C)nn2C)C1 ZINC001209444322 1020354325 /nfs/dbraw/zinc/35/43/25/1020354325.db2.gz PITCEOZCDBXJAH-UHFFFAOYSA-N 0 3 345.531 4.398 20 30 EIEDHN C#CCN(C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H]1CCc2ccccc21 ZINC001167178767 1020486424 /nfs/dbraw/zinc/48/64/24/1020486424.db2.gz KJFWRCQXNQPHEF-CGTJXYLNSA-N 0 3 337.385 4.109 20 30 EIEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1cccc2ccccc21 ZINC000138527797 1020691477 /nfs/dbraw/zinc/69/14/77/1020691477.db2.gz ABLUOUVCLKDVII-IRLDBZIGSA-N 0 3 349.478 4.031 20 30 EIEDHN COc1ccc(C2(CNCc3nc(C#N)cs3)CCCCC2)cc1 ZINC000579941320 1020925948 /nfs/dbraw/zinc/92/59/48/1020925948.db2.gz LYZKMHHNUVGSKR-UHFFFAOYSA-N 0 3 341.480 4.015 20 30 EIEDHN CN(C)[C@H]1CCOc2c(Nc3cc(Cl)cc(C#N)c3)cccc21 ZINC001210539828 1021205027 /nfs/dbraw/zinc/20/50/27/1021205027.db2.gz LQNYUGPYXATNIZ-KRWDZBQOSA-N 0 3 327.815 4.340 20 30 EIEDHN C[C@@H](NCc1ccc(OCc2ccncc2)cc1)c1cccc(C#N)c1 ZINC000610344672 1021344356 /nfs/dbraw/zinc/34/43/56/1021344356.db2.gz DKRWBZWVUXBFPK-QGZVFWFLSA-N 0 3 343.430 4.383 20 30 EIEDHN C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(C)(C)C ZINC000543862012 1021881900 /nfs/dbraw/zinc/88/19/00/1021881900.db2.gz CGHDXHUUBOYMPC-HZPDHXFCSA-N 0 3 349.478 4.179 20 30 EIEDHN C=CCN(CC1CCCCC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001167391536 1021954037 /nfs/dbraw/zinc/95/40/37/1021954037.db2.gz KBYRMVIJZYWNHX-HXUWFJFHSA-N 0 3 344.474 4.389 20 30 EIEDHN CC(C)(CC#N)CN[C@@H]1CCCOc2c(Br)cccc21 ZINC000414174920 1022035078 /nfs/dbraw/zinc/03/50/78/1022035078.db2.gz YNGFYMWHGMLRKS-CQSZACIVSA-N 0 3 337.261 4.192 20 30 EIEDHN CC[C@H](N[C@@H]1CCOc2c(OC)cc(C)cc21)c1ccc(C#N)cc1 ZINC000365713014 1022036213 /nfs/dbraw/zinc/03/62/13/1022036213.db2.gz QBOSKMODENMBLE-RBUKOAKNSA-N 0 3 336.435 4.440 20 30 EIEDHN C=CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC001167406765 1022066292 /nfs/dbraw/zinc/06/62/92/1022066292.db2.gz VSXNIEXHTKYPKH-DLBZAZTESA-N 0 3 336.479 4.304 20 30 EIEDHN CCC(CC)CN(CCC#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000104546695 1022775974 /nfs/dbraw/zinc/77/59/74/1022775974.db2.gz PPLCGWQEKFZHDG-UHFFFAOYSA-N 0 3 341.499 4.074 20 30 EIEDHN COc1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1C ZINC000659114878 1022841817 /nfs/dbraw/zinc/84/18/17/1022841817.db2.gz JGBTXZIUZBJXCQ-ZDUSSCGKSA-N 0 3 328.437 4.248 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc(N3CCCC3)c2)n1 ZINC000659115230 1022844624 /nfs/dbraw/zinc/84/46/24/1022844624.db2.gz SWCHSCWSQJCYOU-INIZCTEOSA-N 0 3 339.464 4.357 20 30 EIEDHN Cc1ccc(Br)cc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000190157120 1022848183 /nfs/dbraw/zinc/84/81/83/1022848183.db2.gz XKUNJHFWYVHMFT-CYBMUJFWSA-N 0 3 329.241 4.480 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccnn2C2CCCC2)s1 ZINC000581168272 1022865641 /nfs/dbraw/zinc/86/56/41/1022865641.db2.gz IXNKCQWFEHBIDC-CYBMUJFWSA-N 0 3 342.468 4.242 20 30 EIEDHN CN(C)[C@@H](CNc1cccc(C(F)F)c1C#N)c1ccc(F)cc1 ZINC000581221968 1022888352 /nfs/dbraw/zinc/88/83/52/1022888352.db2.gz ZDSIKNKJMJHQMA-KRWDZBQOSA-N 0 3 333.357 4.350 20 30 EIEDHN COCc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430597274 1023187705 /nfs/dbraw/zinc/18/77/05/1023187705.db2.gz ZQDCSZVTGLBSCR-CQSZACIVSA-N 0 3 328.437 4.077 20 30 EIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000417364705 1023291292 /nfs/dbraw/zinc/29/12/92/1023291292.db2.gz LOARBXMUPHWJAN-XOBRGWDASA-N 0 3 337.442 4.492 20 30 EIEDHN COc1cc(CNCc2ccc(Cl)c3cccnc23)ccc1C#N ZINC000566532474 1023457566 /nfs/dbraw/zinc/45/75/66/1023457566.db2.gz SQTSBJHIXVBIGH-UHFFFAOYSA-N 0 3 337.810 4.058 20 30 EIEDHN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNCCCCC#N ZINC000728782956 1023510293 /nfs/dbraw/zinc/51/02/93/1023510293.db2.gz VBKMRGYRMKGAIG-UHFFFAOYSA-N 0 3 337.254 4.271 20 30 EIEDHN CCN(CC)c1ncc(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418140818 1023562806 /nfs/dbraw/zinc/56/28/06/1023562806.db2.gz FYAIPUVKMLORHJ-GOSISDBHSA-N 0 3 340.496 4.028 20 30 EIEDHN COc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccc1SC ZINC000418151412 1023567472 /nfs/dbraw/zinc/56/74/72/1023567472.db2.gz XFIHQVKUCKVYKK-GOSISDBHSA-N 0 3 338.476 4.456 20 30 EIEDHN Cc1nc(C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)sc1C ZINC000155650306 1023670965 /nfs/dbraw/zinc/67/09/65/1023670965.db2.gz WRAJQDXOVKVLQR-JTQLQIEISA-N 0 3 340.235 4.313 20 30 EIEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000661115354 1024241673 /nfs/dbraw/zinc/24/16/73/1024241673.db2.gz BROWWAQFGHYQHH-SWLSCSKDSA-N 0 3 331.847 4.213 20 30 EIEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000661116701 1024249332 /nfs/dbraw/zinc/24/93/32/1024249332.db2.gz ZGHLSJMQLFZIQO-KGLIPLIRSA-N 0 3 331.485 4.238 20 30 EIEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000661117147 1024250830 /nfs/dbraw/zinc/25/08/30/1024250830.db2.gz PESBYPPDWZIAPS-DZGCQCFKSA-N 0 3 337.423 4.306 20 30 EIEDHN N#CC[C@@H]1CCCN(CCCC(=O)c2ccc(Br)cc2)C1 ZINC000661153037 1024279229 /nfs/dbraw/zinc/27/92/29/1024279229.db2.gz HJEMRWFBXZENNJ-AWEZNQCLSA-N 0 3 349.272 4.038 20 30 EIEDHN Cc1noc2ncc(CN(Cc3ccc(C#N)cc3)CC(C)C)cc12 ZINC000893959809 1033201683 /nfs/dbraw/zinc/20/16/83/1033201683.db2.gz WRIZSEJZYYWYEN-UHFFFAOYSA-N 0 3 334.423 4.061 20 30 EIEDHN COc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000341758515 1024615847 /nfs/dbraw/zinc/61/58/47/1024615847.db2.gz QMUVNRNKKRTLOP-JLTOFOAXSA-N 0 3 336.435 4.304 20 30 EIEDHN C[C@H](NCc1ccc(Br)c(F)c1)c1cccc(C#N)c1 ZINC000178401715 1024661556 /nfs/dbraw/zinc/66/15/56/1024661556.db2.gz CMYBVGUSDNKYBM-NSHDSACASA-N 0 3 333.204 4.311 20 30 EIEDHN N#CC1(F)CCN(CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000510938180 1024855318 /nfs/dbraw/zinc/85/53/18/1024855318.db2.gz ZZDAPDHVHPUPTO-UHFFFAOYSA-N 0 3 344.352 4.192 20 30 EIEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000510978304 1024874278 /nfs/dbraw/zinc/87/42/78/1024874278.db2.gz LHCDDABYEQUUSW-VOJFVSQTSA-N 0 3 328.362 4.183 20 30 EIEDHN COCC1(C#N)CCN([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000341980029 1025018883 /nfs/dbraw/zinc/01/88/83/1025018883.db2.gz CCFCTWOXCPGKFC-CYBMUJFWSA-N 0 3 326.362 4.019 20 30 EIEDHN CC(C)CN(Cc1cn(C)nc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000538307733 1025372019 /nfs/dbraw/zinc/37/20/19/1025372019.db2.gz HYEBXPANNRDXBE-UHFFFAOYSA-N 0 3 338.499 4.247 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000187721222 1025843752 /nfs/dbraw/zinc/84/37/52/1025843752.db2.gz GKOXGXKDCULORC-BBRMVZONSA-N 0 3 348.372 4.172 20 30 EIEDHN CN(CCOc1ccccc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000215889263 1025861802 /nfs/dbraw/zinc/86/18/02/1025861802.db2.gz WYHBWPSKBXRVGX-UHFFFAOYSA-N 0 3 334.341 4.088 20 30 EIEDHN N#Cc1cc(CNCC[C@@H](O)c2ccc(Cl)c(Cl)c2)cs1 ZINC000894481498 1026026623 /nfs/dbraw/zinc/02/66/23/1026026623.db2.gz PRVUBNMAAJKBJV-OAHLLOKOSA-N 0 3 341.263 4.140 20 30 EIEDHN N#Cc1cc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)cs1 ZINC000892224426 1026353635 /nfs/dbraw/zinc/35/36/35/1026353635.db2.gz DMNMXCMEYHBCFF-RDJZCZTQSA-N 0 3 330.453 4.081 20 30 EIEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(Oc3ccccc3F)c2)C1 ZINC000279619357 1026549636 /nfs/dbraw/zinc/54/96/36/1026549636.db2.gz YDVXDMJKZAJZES-HOCLYGCPSA-N 0 3 325.387 4.185 20 30 EIEDHN COc1ccc(CN(Cc2cccc(C#N)c2)C(C)(C)C)c(OC)c1 ZINC000507213902 1026702915 /nfs/dbraw/zinc/70/29/15/1026702915.db2.gz QPDLHMLVVIRESA-UHFFFAOYSA-N 0 3 338.451 4.376 20 30 EIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC1CCCC1 ZINC000427121432 1026730750 /nfs/dbraw/zinc/73/07/50/1026730750.db2.gz YIYFZTZORKMBMI-UHFFFAOYSA-N 0 3 348.560 4.165 20 30 EIEDHN N#Cc1cc(F)c(NC[C@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000500502106 1026804994 /nfs/dbraw/zinc/80/49/94/1026804994.db2.gz JDUVJOHWFWISLM-GOSISDBHSA-N 0 3 327.378 4.085 20 30 EIEDHN CCCn1nc(C)c(CN(Cc2ccc(C#N)cc2)CC(C)C)c1C ZINC000507718984 1026881073 /nfs/dbraw/zinc/88/10/73/1026881073.db2.gz QQTQZTBJXXNIQF-UHFFFAOYSA-N 0 3 338.499 4.440 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)C(C)(C)CO3)n1 ZINC000582636263 1026886252 /nfs/dbraw/zinc/88/62/52/1026886252.db2.gz IMRCWWBCYATYNZ-CYBMUJFWSA-N 0 3 340.448 4.427 20 30 EIEDHN COC[C@@H](N[C@H](C)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000925097862 1027292742 /nfs/dbraw/zinc/29/27/42/1027292742.db2.gz RDIGHSPLKNKQMQ-IUODEOHRSA-N 0 3 328.378 4.311 20 30 EIEDHN C[C@@H]([C@H](C)NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000185506932 1027419590 /nfs/dbraw/zinc/41/95/90/1027419590.db2.gz UMSKGMPXBKBRTD-GJZGRUSLSA-N 0 3 338.455 4.303 20 30 EIEDHN CC[C@@](C)(COc1ncccc1Cl)NCc1cc(C#N)ccc1F ZINC000441312423 1027442725 /nfs/dbraw/zinc/44/27/25/1027442725.db2.gz ZJMXPMIITODBNO-SFHVURJKSA-N 0 3 347.821 4.083 20 30 EIEDHN CCN(CC)[C@@H](CNc1snc(Cl)c1C#N)c1ccsc1 ZINC000052045231 1027825928 /nfs/dbraw/zinc/82/59/28/1027825928.db2.gz BFUYCMJLWWBDHD-LBPRGKRZSA-N 0 3 340.905 4.225 20 30 EIEDHN CC(C)(C)c1ccccc1NC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328909373 1027832792 /nfs/dbraw/zinc/83/27/92/1027832792.db2.gz MRLHTCWEDKIMCK-VQIMIIECSA-N 0 3 343.471 4.059 20 30 EIEDHN COc1cc(CN[C@@H](c2ccc(F)c(F)c2)C(C)C)ccc1C#N ZINC000573143937 1027863202 /nfs/dbraw/zinc/86/32/02/1027863202.db2.gz HRUBUKOFOLIHEG-LJQANCHMSA-N 0 3 330.378 4.332 20 30 EIEDHN CC(C)[C@H](CNC(=O)c1cc([O-])ccc1Cl)[NH+]1CCC(C)CC1 ZINC000331184013 1027940101 /nfs/dbraw/zinc/94/01/01/1027940101.db2.gz IEWRFUCVFWQEBK-KRWDZBQOSA-N 0 3 338.879 4.107 20 30 EIEDHN CC[C@H]1CCCCCN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000523556599 1028211054 /nfs/dbraw/zinc/21/10/54/1028211054.db2.gz DBPIYCAGFNEBTR-IBGZPJMESA-N 0 3 341.499 4.205 20 30 EIEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000330272831 1028244649 /nfs/dbraw/zinc/24/46/49/1028244649.db2.gz YFHYITSCTMRXQF-RJIBLYRGSA-N 0 3 343.254 4.127 20 30 EIEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000524148138 1028707232 /nfs/dbraw/zinc/70/72/32/1028707232.db2.gz GKZMFWPYJQRSKS-AZUAARDMSA-N 0 3 343.515 4.210 20 30 EIEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)o1 ZINC000281670777 1028829191 /nfs/dbraw/zinc/82/91/91/1028829191.db2.gz OAFKLVMCWZFZFK-HAQNSBGRSA-N 0 3 349.203 4.089 20 30 EIEDHN CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2Cc1ccc(C#N)cc1 ZINC001279142684 1028836997 /nfs/dbraw/zinc/83/69/97/1028836997.db2.gz CNPRHNNBMFYOBF-UIFIKXQLSA-N 0 3 325.500 4.033 20 30 EIEDHN COc1cc(CN[C@H](C)c2cccc(N3CCCC3)c2)ccc1C#N ZINC000281805204 1028879171 /nfs/dbraw/zinc/87/91/71/1028879171.db2.gz VPXNIFBCPQPQER-MRXNPFEDSA-N 0 3 335.451 4.018 20 30 EIEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc2ccccc2c1 ZINC000524811905 1029236589 /nfs/dbraw/zinc/23/65/89/1029236589.db2.gz SSBBUYUJGSVUPQ-UHFFFAOYSA-N 0 3 330.431 4.360 20 30 EIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccccc1N1CCOCC1 ZINC000475280993 1029495987 /nfs/dbraw/zinc/49/59/87/1029495987.db2.gz BGNSKVGOUADAMR-UHFFFAOYSA-N 0 3 336.479 4.102 20 30 EIEDHN CN(CC#Cc1ccc(F)cc1)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000446845297 1029609121 /nfs/dbraw/zinc/60/91/21/1029609121.db2.gz LRJSJXFXUCOXJY-UHFFFAOYSA-N 0 3 347.437 4.132 20 30 EIEDHN N#CCCCN[C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446884340 1029630074 /nfs/dbraw/zinc/63/00/74/1029630074.db2.gz OXXDTPHCDCEWRX-AWEZNQCLSA-N 0 3 327.653 4.447 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N2CCCCC[C@H]2CC(C)C)CC1 ZINC000525438664 1029635138 /nfs/dbraw/zinc/63/51/38/1029635138.db2.gz KHFQGONSHWBVKJ-IBGZPJMESA-N 0 3 335.536 4.027 20 30 EIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cnn(-c2ccccc2)c1 ZINC000584385870 1029804050 /nfs/dbraw/zinc/80/40/50/1029804050.db2.gz ZEKJRZHMOYRBHY-QFIPXVFZSA-N 0 3 342.446 4.301 20 30 EIEDHN CC[C@H](NCc1ccc(OC)c(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000447547461 1030150930 /nfs/dbraw/zinc/15/09/30/1030150930.db2.gz BWWJXTBYBYVGNQ-INIZCTEOSA-N 0 3 346.377 4.409 20 30 EIEDHN N#Cc1cccc(CN[C@H](CN2CCCCC2)c2ccccc2)c1F ZINC000611938530 1030414522 /nfs/dbraw/zinc/41/45/22/1030414522.db2.gz MDPPAPAMAHPGSF-HXUWFJFHSA-N 0 3 337.442 4.014 20 30 EIEDHN CC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000024254231 1030510148 /nfs/dbraw/zinc/51/01/48/1030510148.db2.gz DNQYFPJFURYCCP-QGZVFWFLSA-N 0 3 347.890 4.066 20 30 EIEDHN C=CCSc1ccccc1NC(=O)CNC(C)(C)c1ccccc1 ZINC000508652389 1030836855 /nfs/dbraw/zinc/83/68/55/1030836855.db2.gz ZFKVBRCZDJPXPI-UHFFFAOYSA-N 0 3 340.492 4.428 20 30 EIEDHN CCc1oc2ccccc2c1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000548859291 1030844662 /nfs/dbraw/zinc/84/46/62/1030844662.db2.gz WEDPHSUVDNOYIO-UHFFFAOYSA-N 0 3 345.446 4.448 20 30 EIEDHN CC(C)N(CC(=O)Nc1ccccc1SCC#N)C1CC(C)(C)C1 ZINC000452107860 1030845377 /nfs/dbraw/zinc/84/53/77/1030845377.db2.gz UHMLNYATMRUIIO-UHFFFAOYSA-N 0 3 345.512 4.140 20 30 EIEDHN N#Cc1ccc(C2(NCc3ccc(Cl)cc3)CCOCC2)cc1 ZINC000527808833 1030855040 /nfs/dbraw/zinc/85/50/40/1030855040.db2.gz DDTQXQWIKKGBIC-UHFFFAOYSA-N 0 3 326.827 4.007 20 30 EIEDHN N#Cc1ccc(C2(NCc3cc4ccccc4o3)CCOCC2)cc1 ZINC000527813588 1030856476 /nfs/dbraw/zinc/85/64/76/1030856476.db2.gz YDLMWUVTWSKRSI-UHFFFAOYSA-N 0 3 332.403 4.100 20 30 EIEDHN CN(C)C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528012277 1031039872 /nfs/dbraw/zinc/03/98/72/1031039872.db2.gz SNYYRYCZYLRRRU-IFIJOSMWSA-N 0 3 340.298 4.268 20 30 EIEDHN CCCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OCC ZINC000041521248 1031498180 /nfs/dbraw/zinc/49/81/80/1031498180.db2.gz WHKTUJYTVBJXQD-AWEZNQCLSA-N 0 3 344.436 4.129 20 30 EIEDHN Cn1cc(CN2CCC[C@@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000179887095 1031554083 /nfs/dbraw/zinc/55/40/83/1031554083.db2.gz AHUSPMDHSWDHKR-GOSISDBHSA-N 0 3 348.475 4.357 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000512567355 1033384519 /nfs/dbraw/zinc/38/45/19/1033384519.db2.gz AEVNZOXNONQGJQ-UHFFFAOYSA-N 0 3 341.451 4.337 20 30 EIEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1ccccc1Cl ZINC000512624858 1033536360 /nfs/dbraw/zinc/53/63/60/1033536360.db2.gz KNXSVLAVNGRDSF-STQMWFEESA-N 0 3 332.806 4.469 20 30 EIEDHN C[C@@H](NC[C@H](C)Oc1ccccc1Cl)c1ccc(C#N)cc1F ZINC000512624857 1033537087 /nfs/dbraw/zinc/53/70/87/1033537087.db2.gz KNXSVLAVNGRDSF-QWHCGFSZSA-N 0 3 332.806 4.469 20 30 EIEDHN C[C@@H](c1ccccc1)N(C)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433023288 1033680669 /nfs/dbraw/zinc/68/06/69/1033680669.db2.gz OMLLHCSLZZEXHZ-RXVVDRJESA-N 0 3 349.478 4.231 20 30 EIEDHN CCc1ccccc1NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433024904 1033683201 /nfs/dbraw/zinc/68/32/01/1033683201.db2.gz ZTGZFDYBIFCYEV-IBGZPJMESA-N 0 3 335.451 4.212 20 30 EIEDHN C[C@H](NCCCOc1cccc2cccnc21)c1ccc(C#N)cc1F ZINC000512674768 1033683288 /nfs/dbraw/zinc/68/32/88/1033683288.db2.gz YULOEBREGKSZQH-HNNXBMFYSA-N 0 3 349.409 4.365 20 30 EIEDHN CC(C)C1CCC(N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000433146302 1033927031 /nfs/dbraw/zinc/92/70/31/1033927031.db2.gz LDMAHBOGNKONOW-UHFFFAOYSA-N 0 3 338.455 4.255 20 30 EIEDHN COCCSc1ccc([C@H](C)NCc2ccc(C#N)cc2C)cc1 ZINC000614407677 1034558992 /nfs/dbraw/zinc/55/89/92/1034558992.db2.gz WJOPPKUNSMWPTC-INIZCTEOSA-N 0 3 340.492 4.456 20 30 EIEDHN CC(C)CNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934877 1034669147 /nfs/dbraw/zinc/66/91/47/1034669147.db2.gz ZKPMWUIQUTVMKV-IAGOWNOFSA-N 0 3 349.478 4.037 20 30 EIEDHN COc1ccccc1CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000513292828 1034869795 /nfs/dbraw/zinc/86/97/95/1034869795.db2.gz YGJVHCRAJSZVLV-UHFFFAOYSA-N 0 3 326.465 4.083 20 30 EIEDHN Cc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1Br ZINC000501050720 1035359507 /nfs/dbraw/zinc/35/95/07/1035359507.db2.gz GOYOJJPLWZHMDF-CYBMUJFWSA-N 0 3 329.241 4.480 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000419842670 1035425684 /nfs/dbraw/zinc/42/56/84/1035425684.db2.gz WCAFMQVUNGUCDK-CQSZACIVSA-N 0 3 327.453 4.249 20 30 EIEDHN CC(C)[C@@H](O)[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594990400 1035519816 /nfs/dbraw/zinc/51/98/16/1035519816.db2.gz PYTJPXZBCNYBJX-LEWJYISDSA-N 0 3 334.463 4.090 20 30 EIEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cncc(Br)c1 ZINC000595042196 1035565853 /nfs/dbraw/zinc/56/58/53/1035565853.db2.gz JUEDARPLSDNYGZ-PIGZYNQJSA-N 0 3 342.240 4.054 20 30 EIEDHN CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000484996247 1035567963 /nfs/dbraw/zinc/56/79/63/1035567963.db2.gz WVBHZIDGQHCQDX-UHFFFAOYSA-N 0 3 347.871 4.124 20 30 EIEDHN Cn1ncc(C2CCC2)c1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000595101664 1035588281 /nfs/dbraw/zinc/58/82/81/1035588281.db2.gz YUYVWOUDYVJZCF-HXUWFJFHSA-N 0 3 334.467 4.117 20 30 EIEDHN C[C@H](N[C@@H](C)c1cc2ccccc2s1)C(=O)Nc1cccc(C#N)c1 ZINC000575027123 1035657015 /nfs/dbraw/zinc/65/70/15/1035657015.db2.gz QNASELCOEGUOHI-KBPBESRZSA-N 0 3 349.459 4.451 20 30 EIEDHN N#Cc1ccc(-c2nnc(CN[C@H]3CCCC34CCCCC4)o2)cc1 ZINC000595606280 1035745732 /nfs/dbraw/zinc/74/57/32/1035745732.db2.gz WULZVHJGXDHQEV-KRWDZBQOSA-N 0 3 336.439 4.201 20 30 EIEDHN CC(C)CC1(NCC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000595831684 1035801457 /nfs/dbraw/zinc/80/14/57/1035801457.db2.gz PHLBBSSHHZYEIT-OAHLLOKOSA-N 0 3 345.512 4.188 20 30 EIEDHN Cc1cccc(C)c1OCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000054735813 1035831916 /nfs/dbraw/zinc/83/19/16/1035831916.db2.gz UNHSWBOKENUHFF-HNNXBMFYSA-N 0 3 334.375 4.090 20 30 EIEDHN Cc1cccc(OCCC(=O)C(C#N)c2nc3ccccc3o2)c1C ZINC000054735803 1035832227 /nfs/dbraw/zinc/83/22/27/1035832227.db2.gz RJLMGUBULZMSJQ-HNNXBMFYSA-N 0 3 334.375 4.090 20 30 EIEDHN C[C@H](N)c1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cn1 ZINC001168409493 1035894129 /nfs/dbraw/zinc/89/41/29/1035894129.db2.gz LAKUINCBTSYRPA-AWEZNQCLSA-N 0 3 341.414 4.278 20 30 EIEDHN FC(F)C[C@H](NCCOCC(F)(F)C(F)(F)F)c1ccccc1 ZINC000421001497 1035938481 /nfs/dbraw/zinc/93/84/81/1035938481.db2.gz XCIZEIFIBUWVDT-NSHDSACASA-N 0 3 347.274 4.187 20 30 EIEDHN N#CC[C@@H]1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597172545 1036126014 /nfs/dbraw/zinc/12/60/14/1036126014.db2.gz CLFYQESHVUKNRG-SFHVURJKSA-N 0 3 345.446 4.263 20 30 EIEDHN Cc1cc([C@@H]2CCN(Cc3cc(C#N)cs3)C2)c(O)cc1Cl ZINC000597224090 1036169515 /nfs/dbraw/zinc/16/95/15/1036169515.db2.gz XHFOCYSPKJTFGJ-CYBMUJFWSA-N 0 3 332.856 4.277 20 30 EIEDHN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](C)CCC#N ZINC000602433570 1036447092 /nfs/dbraw/zinc/44/70/92/1036447092.db2.gz MYZKBYDHDTTYFZ-CYBMUJFWSA-N 0 3 346.862 4.141 20 30 EIEDHN CC(C)N(Cc1ccc(C#N)cc1)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000602438579 1036448648 /nfs/dbraw/zinc/44/86/48/1036448648.db2.gz FTYPSTOOXVDFOL-LJQANCHMSA-N 0 3 337.471 4.208 20 30 EIEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000602572838 1036500589 /nfs/dbraw/zinc/50/05/89/1036500589.db2.gz TXKPFEJAWRNQTO-RHSMWYFYSA-N 0 3 346.446 4.116 20 30 EIEDHN C[C@]1(C2CCCCC2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000603029821 1036709443 /nfs/dbraw/zinc/70/94/43/1036709443.db2.gz PXOOOBSXEXXFIV-HXUWFJFHSA-N 0 3 336.439 4.153 20 30 EIEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1OC(F)F ZINC000192946313 1036747472 /nfs/dbraw/zinc/74/74/72/1036747472.db2.gz SGTKDDWJRYPNGI-KRWDZBQOSA-N 0 3 346.377 4.431 20 30 EIEDHN COc1cc(CN[C@@H](C)c2ccc(-c3cccnc3)cc2)ccc1C#N ZINC000367092455 1036796068 /nfs/dbraw/zinc/79/60/68/1036796068.db2.gz FIICRPNCEWCNOO-INIZCTEOSA-N 0 3 343.430 4.480 20 30 EIEDHN COc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1OC1CC1 ZINC000598981959 1036841170 /nfs/dbraw/zinc/84/11/70/1036841170.db2.gz SEKOKDXSVVBIDB-UHFFFAOYSA-N 0 3 336.435 4.133 20 30 EIEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000590750236 1037153466 /nfs/dbraw/zinc/15/34/66/1037153466.db2.gz IFRLERSEWFFMCS-IBGZPJMESA-N 0 3 342.870 4.307 20 30 EIEDHN C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1cccc(C#N)c1 ZINC000591066741 1037283979 /nfs/dbraw/zinc/28/39/79/1037283979.db2.gz KCXJTVJHRWNCAW-QGZVFWFLSA-N 0 3 347.462 4.035 20 30 EIEDHN COCCSc1ccc([C@@H](C)NCc2ccc(C#N)c(C)c2)cc1 ZINC000488131275 1037378521 /nfs/dbraw/zinc/37/85/21/1037378521.db2.gz XGUZWBNVHOAGEK-MRXNPFEDSA-N 0 3 340.492 4.456 20 30 EIEDHN COc1ccccc1[C@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000171402865 1037390900 /nfs/dbraw/zinc/39/09/00/1037390900.db2.gz MJILDGONAGJWDY-UKRRQHHQSA-N 0 3 334.375 4.206 20 30 EIEDHN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521485 1037399162 /nfs/dbraw/zinc/39/91/62/1037399162.db2.gz MKFJUBSZVOMJQN-RXVVDRJESA-N 0 3 338.426 4.297 20 30 EIEDHN CC1(C)C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)c2cc(N)ccc2O1 ZINC000591579372 1037505082 /nfs/dbraw/zinc/50/50/82/1037505082.db2.gz SWYVTUKQRQQEQI-PMACEKPBSA-N 0 3 347.462 4.410 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc3c2NCCC3)c1 ZINC000894272513 1037715347 /nfs/dbraw/zinc/71/53/47/1037715347.db2.gz CLEBGVDMFINWBI-LJQANCHMSA-N 0 3 335.451 4.015 20 30 EIEDHN C#CCOc1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000172112582 1037856986 /nfs/dbraw/zinc/85/69/86/1037856986.db2.gz MLJZSZZDIPTSIF-SFHVURJKSA-N 0 3 327.424 4.164 20 30 EIEDHN C=CCCCN(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000605834890 1037865235 /nfs/dbraw/zinc/86/52/35/1037865235.db2.gz TYUZYCCNFPXPNY-KRWDZBQOSA-N 0 3 349.544 4.129 20 30 EIEDHN N#Cc1ccc(C2(NCc3cccc(Br)c3)CCC2)cc1 ZINC000594032028 1038227900 /nfs/dbraw/zinc/22/79/00/1038227900.db2.gz APAWNYVJMKJPRI-UHFFFAOYSA-N 0 3 341.252 4.490 20 30 EIEDHN COc1cc(CNC2(c3ccc(C#N)cc3)CCC2)ccc1SC ZINC000594031868 1038229043 /nfs/dbraw/zinc/22/90/43/1038229043.db2.gz MQMRFEIFYDSGAI-UHFFFAOYSA-N 0 3 338.476 4.458 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000594434660 1038332829 /nfs/dbraw/zinc/33/28/29/1038332829.db2.gz QUYVFZHFHWAHJU-SFHVURJKSA-N 0 3 347.890 4.022 20 30 EIEDHN CC(C)Cc1ccc([C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C)cc1 ZINC000594424888 1038340475 /nfs/dbraw/zinc/34/04/75/1038340475.db2.gz DKZWMDBAWKZUIM-PMACEKPBSA-N 0 3 343.515 4.110 20 30 EIEDHN CC(=O)N1CC[C@@H](NCc2ccc(C(C)(C)C#N)cc2)c2ccccc21 ZINC000594504272 1038351154 /nfs/dbraw/zinc/35/11/54/1038351154.db2.gz HRQPQXJIAJNXAD-HXUWFJFHSA-N 0 3 347.462 4.075 20 30 EIEDHN COc1cc2c(cc1F)CC[C@@H]2NC1(c2ccc(C#N)cc2)CCC1 ZINC000594519170 1038360889 /nfs/dbraw/zinc/36/08/89/1038360889.db2.gz UVIHYCGRXYEDBU-IBGZPJMESA-N 0 3 336.410 4.362 20 30 EIEDHN C[C@@H](NCc1cccc(OCc2ccccn2)c1)c1ccc(C#N)cc1 ZINC000075755602 1038426378 /nfs/dbraw/zinc/42/63/78/1038426378.db2.gz FHHSWXGLRLVXIC-QGZVFWFLSA-N 0 3 343.430 4.383 20 30 EIEDHN C=CCOc1ccc(CN[C@H](Cc2nccn2C)c2ccccc2)cc1 ZINC000608073928 1038494283 /nfs/dbraw/zinc/49/42/83/1038494283.db2.gz PRAQCPHXANKGSM-OAQYLSRUSA-N 0 3 347.462 4.059 20 30 EIEDHN C[C@@H](NCc1cnn2c1CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000594945249 1038516140 /nfs/dbraw/zinc/51/61/40/1038516140.db2.gz WWFADWNWHIGOIS-MRXNPFEDSA-N 0 3 342.446 4.219 20 30 EIEDHN COc1ccc([C@H](C)NCC#Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000539229134 1038893085 /nfs/dbraw/zinc/89/30/85/1038893085.db2.gz FNIQUKILMGDWPP-AWEZNQCLSA-N 0 3 349.352 4.296 20 30 EIEDHN C=CCCc1ccccc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000505056423 1038927286 /nfs/dbraw/zinc/92/72/86/1038927286.db2.gz BHFJSIWHIVNJKE-LEWJYISDSA-N 0 3 349.478 4.372 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c(Br)c2)n1 ZINC000080252006 1038948579 /nfs/dbraw/zinc/94/85/79/1038948579.db2.gz UGDTWWPEOGWKDP-LLVKDONJSA-N 0 3 335.226 4.013 20 30 EIEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000552057181 1039075778 /nfs/dbraw/zinc/07/57/78/1039075778.db2.gz IXVPVMWNZGEYIO-KSEOMHKRSA-N 0 3 337.438 4.118 20 30 EIEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC000481391691 1039374029 /nfs/dbraw/zinc/37/40/29/1039374029.db2.gz MREFBHNSOFPEEC-KUHUBIRLSA-N 0 3 331.818 4.196 20 30 EIEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC000481391689 1039375808 /nfs/dbraw/zinc/37/58/08/1039375808.db2.gz MREFBHNSOFPEEC-AUUYWEPGSA-N 0 3 331.818 4.196 20 30 EIEDHN CCCN(Cc1ccc(OC)c(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000481438875 1039416153 /nfs/dbraw/zinc/41/61/53/1039416153.db2.gz XREFPOIPMBDDNS-IBGZPJMESA-N 0 3 335.451 4.251 20 30 EIEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000192864321 1039478630 /nfs/dbraw/zinc/47/86/30/1039478630.db2.gz XNOJRPLMSFLNMM-OAHLLOKOSA-N 0 3 329.403 4.001 20 30 EIEDHN C=C(C)[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000481634425 1039649896 /nfs/dbraw/zinc/64/98/96/1039649896.db2.gz ZFEXRRNOCLDOAX-LJQANCHMSA-N 0 3 328.362 4.122 20 30 EIEDHN Cc1cccc(NC2CCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000093607739 1039726225 /nfs/dbraw/zinc/72/62/25/1039726225.db2.gz DBGBVORPSQAPEM-SFHVURJKSA-N 0 3 349.478 4.362 20 30 EIEDHN Cc1ccc2[nH]cc(CCC(=O)C(C#N)c3nc4ccccc4o3)c2c1 ZINC000080282326 1039827515 /nfs/dbraw/zinc/82/75/15/1039827515.db2.gz KUZGJSWCIKQNEP-MRXNPFEDSA-N 0 3 343.386 4.427 20 30 EIEDHN COc1ccc(CN2CC3(CCC3)[C@@H]2C(C)C)cc1OCCCC#N ZINC000430094474 1039838734 /nfs/dbraw/zinc/83/87/34/1039838734.db2.gz KITILQRHDIXAGM-FQEVSTJZSA-N 0 3 342.483 4.388 20 30 EIEDHN N#Cc1ccc(CNC2CC(F)(c3cccc(Cl)c3)C2)c(F)c1 ZINC000481818441 1039839279 /nfs/dbraw/zinc/83/92/79/1039839279.db2.gz TZOKQQSXUKWXEW-UHFFFAOYSA-N 0 3 332.781 4.468 20 30 EIEDHN C=C(C)CN(CC)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000514438264 1039891609 /nfs/dbraw/zinc/89/16/09/1039891609.db2.gz PSJRZWOKUJOGBH-KRWDZBQOSA-N 0 3 349.544 4.129 20 30 EIEDHN C=CC[C@H](C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000505584803 1039965089 /nfs/dbraw/zinc/96/50/89/1039965089.db2.gz BYJSAYKVIYVQBO-QMMLZNLJSA-N 0 3 336.479 4.154 20 30 EIEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000924723281 1040455951 /nfs/dbraw/zinc/45/59/51/1040455951.db2.gz ZRDQCXACQLOWAO-HNNXBMFYSA-N 0 3 327.472 4.233 20 30 EIEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccc(F)c2ccccc21 ZINC000515088906 1040473693 /nfs/dbraw/zinc/47/36/93/1040473693.db2.gz CIKIDYUFKWVKHO-HNNXBMFYSA-N 0 3 328.431 4.054 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc([C@H]3CCOC3)c2)n1 ZINC000551661162 1040484962 /nfs/dbraw/zinc/48/49/62/1040484962.db2.gz IVTUSCMVAXMXSE-JKSUJKDBSA-N 0 3 340.448 4.260 20 30 EIEDHN CC[C@@H](CNCc1ccc(C#N)o1)Oc1cccc(C(F)(F)F)c1 ZINC000539511210 1040506863 /nfs/dbraw/zinc/50/68/63/1040506863.db2.gz BYDJBZVTFIDYQH-ZDUSSCGKSA-N 0 3 338.329 4.117 20 30 EIEDHN CC(C)c1ccc2c(c1)[C@@H](NCc1cnc3ccc(C#N)cn13)CCC2 ZINC000539564233 1040558049 /nfs/dbraw/zinc/55/80/49/1040558049.db2.gz OVFVYTYWUNQLIQ-NRFANRHFSA-N 0 3 344.462 4.497 20 30 EIEDHN C[C@@H](NC[C@@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1Cl ZINC000554085510 1040791722 /nfs/dbraw/zinc/79/17/22/1040791722.db2.gz KSROHSMLHVMJRP-OCCSQVGLSA-N 0 3 349.261 4.292 20 30 EIEDHN N#Cc1ccc(CNC2(c3ccc(Cl)cc3)CCOCC2)cc1F ZINC000484075567 1041107514 /nfs/dbraw/zinc/10/75/14/1041107514.db2.gz KKVOELXEEPKLLY-UHFFFAOYSA-N 0 3 344.817 4.146 20 30 EIEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000484090230 1041115764 /nfs/dbraw/zinc/11/57/64/1041115764.db2.gz APZZKKRVJKYPQI-SGTLLEGYSA-N 0 3 332.806 4.217 20 30 EIEDHN COc1cc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)ccc1C#N ZINC000463034543 1041255431 /nfs/dbraw/zinc/25/54/31/1041255431.db2.gz DBSVSVOOGISNGO-CABCVRRESA-N 0 3 326.362 4.120 20 30 EIEDHN CCC(CC)[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000540376790 1041412973 /nfs/dbraw/zinc/41/29/73/1041412973.db2.gz SAMUTXUNQJJOOQ-IBGZPJMESA-N 0 3 341.480 4.325 20 30 EIEDHN Clc1ccccc1C#CCN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000540397168 1041439804 /nfs/dbraw/zinc/43/98/04/1041439804.db2.gz FRRMXNCSVLXNCD-ICSRJNTNSA-N 0 3 325.839 4.059 20 30 EIEDHN Cn1cc(CN(Cc2ccccc2C(F)(F)F)CC2CC2)cc1C#N ZINC000554874303 1041466299 /nfs/dbraw/zinc/46/62/99/1041466299.db2.gz UYXMNMOWBIZWQY-UHFFFAOYSA-N 0 3 347.384 4.328 20 30 EIEDHN CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC(C)(C)C ZINC000463371308 1041538057 /nfs/dbraw/zinc/53/80/57/1041538057.db2.gz PEOSBJGKBGFLSQ-HNNXBMFYSA-N 0 3 347.528 4.245 20 30 EIEDHN C[C@@H](N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271934163 1042534265 /nfs/dbraw/zinc/53/42/65/1042534265.db2.gz METPKSQIOYERSU-IERDGZPVSA-N 0 3 337.442 4.185 20 30 EIEDHN N#CCCn1cc(C(=O)CN2CCC[C@@H]2C2CCC2)c2ccccc21 ZINC000174844889 1042715549 /nfs/dbraw/zinc/71/55/49/1042715549.db2.gz RLGVJAPMJPPOFN-LJQANCHMSA-N 0 3 335.451 4.002 20 30 EIEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000177848072 1042852154 /nfs/dbraw/zinc/85/21/54/1042852154.db2.gz UUKCEJVYXSELCT-CVEARBPZSA-N 0 3 347.528 4.387 20 30 EIEDHN N#Cc1ccc(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000067401283 1042882254 /nfs/dbraw/zinc/88/22/54/1042882254.db2.gz XKDMTZXQZWAZHK-FQEVSTJZSA-N 0 3 340.854 4.157 20 30 EIEDHN C=CCSCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494051046 1043008536 /nfs/dbraw/zinc/00/85/36/1043008536.db2.gz VNJMQGJNLXZCRR-GOSISDBHSA-N 0 3 328.437 4.193 20 30 EIEDHN CSCc1cc(F)ccc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000152958932 1043033430 /nfs/dbraw/zinc/03/34/30/1043033430.db2.gz XIRKCCHAMSHAHA-AWEZNQCLSA-N 0 3 344.455 4.269 20 30 EIEDHN Cc1ccccc1OCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000073977055 1043102437 /nfs/dbraw/zinc/10/24/37/1043102437.db2.gz VQLNLEFCOCYTBB-HNNXBMFYSA-N 0 3 334.375 4.172 20 30 EIEDHN COc1cccc(Oc2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cn2)c1 ZINC000185784645 1043220118 /nfs/dbraw/zinc/22/01/18/1043220118.db2.gz KUTSDXRTTOLMGN-DOTOQJQBSA-N 0 3 337.423 4.054 20 30 EIEDHN N#Cc1ccc(CNCc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000113355872 1043271439 /nfs/dbraw/zinc/27/14/39/1043271439.db2.gz YQFRZIRKBFPIHQ-UHFFFAOYSA-N 0 3 338.414 4.391 20 30 EIEDHN CCS[C@H]1CCC[C@@H]1NCc1ccc(Br)cc1C#N ZINC000311597253 1043309813 /nfs/dbraw/zinc/30/98/13/1043309813.db2.gz FPTDKLWEPMNPSX-GJZGRUSLSA-N 0 3 339.302 4.085 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1csc2ccccc21 ZINC000730023977 1043431150 /nfs/dbraw/zinc/43/11/50/1043431150.db2.gz YKSVJPSVTXJJBX-CABCVRRESA-N 0 3 330.497 4.365 20 30 EIEDHN Cc1cc(Br)cc(C)c1CNCc1cccc(C#N)c1 ZINC000520949004 1043453324 /nfs/dbraw/zinc/45/33/24/1043453324.db2.gz OAOFDJPNCHPEMT-UHFFFAOYSA-N 0 3 329.241 4.227 20 30 EIEDHN Cc1cccc(CNCc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000113317215 1043467365 /nfs/dbraw/zinc/46/73/65/1043467365.db2.gz SURJGHVOAQUGMM-UHFFFAOYSA-N 0 3 330.435 4.062 20 30 EIEDHN Clc1ccc(C#CCN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000494445927 1043489392 /nfs/dbraw/zinc/48/93/92/1043489392.db2.gz SQMFZUGKLNVLJZ-RTBURBONSA-N 0 3 346.257 4.465 20 30 EIEDHN Clc1ccc(C#CCN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000494445911 1043489648 /nfs/dbraw/zinc/48/96/48/1043489648.db2.gz SQMFZUGKLNVLJZ-MOPGFXCFSA-N 0 3 346.257 4.465 20 30 EIEDHN C[C@@H](CNc1ccc(C#N)c(Cl)c1)N1CCc2sccc2C1 ZINC000521085450 1043521232 /nfs/dbraw/zinc/52/12/32/1043521232.db2.gz XKZMISCHHORMBC-LBPRGKRZSA-N 0 3 331.872 4.132 20 30 EIEDHN CCCC1CCC(N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000191426178 1043816110 /nfs/dbraw/zinc/81/61/10/1043816110.db2.gz MMSXJDPQOLLUNX-UHFFFAOYSA-N 0 3 338.455 4.399 20 30 EIEDHN Cc1ccc(C)c(OC2CCN(Cc3ccc(CC#N)cc3)CC2)c1 ZINC000543138011 1043947187 /nfs/dbraw/zinc/94/71/87/1043947187.db2.gz DJXATXRKTXKBNR-UHFFFAOYSA-N 0 3 334.463 4.413 20 30 EIEDHN C[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000067449802 1043952552 /nfs/dbraw/zinc/95/25/52/1043952552.db2.gz JIJZFPZAJIWVOY-ZDUSSCGKSA-N 0 3 334.341 4.350 20 30 EIEDHN COCCSc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000543182058 1044059335 /nfs/dbraw/zinc/05/93/35/1044059335.db2.gz NKOSLBDORAMEAV-INIZCTEOSA-N 0 3 340.492 4.342 20 30 EIEDHN Cn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)c(C2CCCC2)n1 ZINC000922191412 1044077490 /nfs/dbraw/zinc/07/74/90/1044077490.db2.gz VHQTTZKPLAKCKT-FQEVSTJZSA-N 0 3 334.467 4.117 20 30 EIEDHN C#CCOc1ccc(CNCc2ccc(-c3csc(C)n3)cc2)cc1 ZINC000733325790 1044189803 /nfs/dbraw/zinc/18/98/03/1044189803.db2.gz SUCTXMVYROEFIR-UHFFFAOYSA-N 0 3 348.471 4.420 20 30 EIEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000174039467 1044215411 /nfs/dbraw/zinc/21/54/11/1044215411.db2.gz JRSOAGPPONSGSR-GFCCVEGCSA-N 0 3 334.341 4.436 20 30 EIEDHN COc1cc2c(cc1OC)[C@H](NCc1csc(C#N)c1)CCCC2 ZINC000922335373 1044560002 /nfs/dbraw/zinc/56/00/02/1044560002.db2.gz QZOACKRDJHNYIH-QGZVFWFLSA-N 0 3 342.464 4.194 20 30 EIEDHN C=C[C@@H](C)N[C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000675934456 1044576590 /nfs/dbraw/zinc/57/65/90/1044576590.db2.gz ZQXCOYCFHXEIQL-OLZOCXBDSA-N 0 3 346.496 4.285 20 30 EIEDHN C=CCN(Cc1ccccc1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000474159159 1044723122 /nfs/dbraw/zinc/72/31/22/1044723122.db2.gz MAEJWUWVBNIGHA-UHFFFAOYSA-N 0 3 338.842 4.109 20 30 EIEDHN C=CCN(CCc1ccco1)Cc1c[nH]nc1-c1ccccc1F ZINC000495200514 1044784400 /nfs/dbraw/zinc/78/44/00/1044784400.db2.gz JPGOHHAZHYTSQY-UHFFFAOYSA-N 0 3 325.387 4.040 20 30 EIEDHN CCCN(Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCCCO1 ZINC000735309419 1044799965 /nfs/dbraw/zinc/79/99/65/1044799965.db2.gz NHSWXZZWJOLSPU-QGZVFWFLSA-N 0 3 336.863 4.023 20 30 EIEDHN CCc1nc2ccccc2n1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000093300796 1044830428 /nfs/dbraw/zinc/83/04/28/1044830428.db2.gz QCQRMFCNWMPRID-UHFFFAOYSA-N 0 3 344.462 4.307 20 30 EIEDHN CCN(Cc1cnc2c(cnn2C(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000154900197 1044846291 /nfs/dbraw/zinc/84/62/91/1044846291.db2.gz AMPGUOAKBAWLNL-MRXNPFEDSA-N 0 3 347.466 4.467 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3c[nH]c4cccc(C)c34)nc21 ZINC000735787282 1044864771 /nfs/dbraw/zinc/86/47/71/1044864771.db2.gz ADMQWYWZSAKOTE-OAHLLOKOSA-N 0 3 342.402 4.080 20 30 EIEDHN C=CCC1(O)CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000895833925 1044928320 /nfs/dbraw/zinc/92/83/20/1044928320.db2.gz FWZVRELOJMWACX-UHFFFAOYSA-N 0 3 348.899 4.367 20 30 EIEDHN Cc1cc(CN2CCSCC2)ccc1NCc1cccc(C#N)c1 ZINC000125379014 1044988558 /nfs/dbraw/zinc/98/85/58/1044988558.db2.gz PEILGGPIHVFDEA-UHFFFAOYSA-N 0 3 337.492 4.028 20 30 EIEDHN Cc1nc(C)c([C@H](C)N(C)CCCOc2cccc(C#N)c2)s1 ZINC000156291456 1045033798 /nfs/dbraw/zinc/03/37/98/1045033798.db2.gz KNPYYNMKLCJWPV-AWEZNQCLSA-N 0 3 329.469 4.094 20 30 EIEDHN CCCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](CC)c1ccccc1 ZINC000303657018 1045048013 /nfs/dbraw/zinc/04/80/13/1045048013.db2.gz VOTAIRGRXQBICO-CTNGQTDRSA-N 0 3 343.515 4.294 20 30 EIEDHN CCCCCCCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000915080790 1045061661 /nfs/dbraw/zinc/06/16/61/1045061661.db2.gz VGXRMEZRLNBPLD-UHFFFAOYSA-N 0 3 330.516 4.390 20 30 EIEDHN N#CCOc1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000282433213 1045213144 /nfs/dbraw/zinc/21/31/44/1045213144.db2.gz KGKVDDLBOHUICX-MRXNPFEDSA-N 0 3 338.373 4.143 20 30 EIEDHN C=CC[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccncc1 ZINC000766020554 1045224835 /nfs/dbraw/zinc/22/48/35/1045224835.db2.gz QIHYSZUYMSTCGP-KXBFYZLASA-N 0 3 337.423 4.006 20 30 EIEDHN Cc1ccc2[nH]c([C@@H]3CCCN(Cc4cccc(C#N)c4F)C3)nc2c1 ZINC000611374394 1045289869 /nfs/dbraw/zinc/28/98/69/1045289869.db2.gz NWDFIEPCBYTEOE-QGZVFWFLSA-N 0 3 348.425 4.262 20 30 EIEDHN Cc1ccc2nc([C@@H]3CCCN(Cc4cccc(C#N)c4F)C3)[nH]c2c1 ZINC000611374394 1045289881 /nfs/dbraw/zinc/28/98/81/1045289881.db2.gz NWDFIEPCBYTEOE-QGZVFWFLSA-N 0 3 348.425 4.262 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](Cn1cccn1)c1ccccc1 ZINC000611393106 1045299398 /nfs/dbraw/zinc/29/93/98/1045299398.db2.gz JQZGHRWAXHWYIS-FGZHOGPDSA-N 0 3 342.446 4.163 20 30 EIEDHN COc1ccccc1-c1ccc([C@@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000611397176 1045300190 /nfs/dbraw/zinc/30/01/90/1045300190.db2.gz YMOZYIXPPSYSLM-MRXNPFEDSA-N 0 3 343.430 4.480 20 30 EIEDHN CC(C)(C)Oc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000611521927 1045320326 /nfs/dbraw/zinc/32/03/26/1045320326.db2.gz QZPRDZUXYSIDAV-IBGZPJMESA-N 0 3 335.451 4.298 20 30 EIEDHN C=CCc1cc(CN(C)Cc2cccc(Cl)c2)c(O)c(OC)c1 ZINC000915825617 1045495490 /nfs/dbraw/zinc/49/54/90/1045495490.db2.gz FGXHHFXTLAPCBG-UHFFFAOYSA-N 0 3 331.843 4.415 20 30 EIEDHN N#CCOc1ccc(CNCc2cccc(OC3CCCC3)c2)cc1 ZINC000171769124 1045582263 /nfs/dbraw/zinc/58/22/63/1045582263.db2.gz SBYMKBFTQMTKGL-UHFFFAOYSA-N 0 3 336.435 4.200 20 30 EIEDHN C#CCOc1ccc(CN(C)Cc2ccc(SC)c(OC)c2)cc1 ZINC000769192082 1045885011 /nfs/dbraw/zinc/88/50/11/1045885011.db2.gz INWZVQQOGKOIOE-UHFFFAOYSA-N 0 3 341.476 4.061 20 30 EIEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(Br)cc1 ZINC000192153884 1046203443 /nfs/dbraw/zinc/20/34/43/1046203443.db2.gz KUDXSHCQHUCBHM-NSHDSACASA-N 0 3 333.204 4.311 20 30 EIEDHN CCCOc1ccc(C(C)(C)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000793384143 1046226591 /nfs/dbraw/zinc/22/65/91/1046226591.db2.gz RQVUNCVIDUAARW-UHFFFAOYSA-N 0 3 338.451 4.381 20 30 EIEDHN Cc1cc2c(cc1C)[C@@H](C(=O)C(C#N)c1nc3ccccc3s1)CO2 ZINC000770841343 1046279043 /nfs/dbraw/zinc/27/90/43/1046279043.db2.gz DNUGEMROJXYIJZ-CABCVRRESA-N 0 3 348.427 4.266 20 30 EIEDHN N#CC[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000796652694 1046329531 /nfs/dbraw/zinc/32/95/31/1046329531.db2.gz CQBGFOVITQQPQM-HOTGVXAUSA-N 0 3 329.359 4.092 20 30 EIEDHN C#CC[C@@H](NCc1ccc(SC(=O)N(C)C)cc1)c1ccccc1 ZINC000271759889 1046383367 /nfs/dbraw/zinc/38/33/67/1046383367.db2.gz ZLVONIMGXSABML-LJQANCHMSA-N 0 3 338.476 4.315 20 30 EIEDHN N#Cc1ccc2ncc(CN3CCCC[C@H]3CCc3ccccc3)n2c1 ZINC000536672833 1046659119 /nfs/dbraw/zinc/65/91/19/1046659119.db2.gz ROVXQPNFQQHRSJ-FQEVSTJZSA-N 0 3 344.462 4.193 20 30 EIEDHN C=CCOc1ccc(CN2CCC(OCC3CCCC3)CC2)cc1 ZINC000536711488 1046720819 /nfs/dbraw/zinc/72/08/19/1046720819.db2.gz ZVMXYODTGYGSKE-UHFFFAOYSA-N 0 3 329.484 4.423 20 30 EIEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)cc1F ZINC000459548881 1046767795 /nfs/dbraw/zinc/76/77/95/1046767795.db2.gz UYUHLKCGGZQHAB-FQEVSTJZSA-N 0 3 338.426 4.081 20 30 EIEDHN C=CCC[C@@H](O)CN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459588716 1046786572 /nfs/dbraw/zinc/78/65/72/1046786572.db2.gz HSYZOJSVYVPYEX-RHSMWYFYSA-N 0 3 333.863 4.070 20 30 EIEDHN CC[C@H](CC#N)N[C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170468131 1046802377 /nfs/dbraw/zinc/80/23/77/1046802377.db2.gz HAXLSVRZEYXLMZ-VQHPVUNQSA-N 0 3 337.508 4.225 20 30 EIEDHN COc1ccccc1[C@@H](C/N=C\c1ccccc1O)N1CCCCC1 ZINC000917559290 1046969495 /nfs/dbraw/zinc/96/94/95/1046969495.db2.gz KEXRDBODXVLNPR-MLPWYGTASA-N 0 3 338.451 4.047 20 30 EIEDHN COc1ccc(CNN=C(C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000917548468 1046983531 /nfs/dbraw/zinc/98/35/31/1046983531.db2.gz JYPGBDPRYMCHAV-UHFFFAOYSA-N 0 3 337.467 4.199 20 30 EIEDHN CC(C)(C#N)CCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000537363602 1047155442 /nfs/dbraw/zinc/15/54/42/1047155442.db2.gz OUWDHKAONGNSOA-UHFFFAOYSA-N 0 3 345.490 4.314 20 30 EIEDHN N#Cc1ccccc1CSCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000788652972 1047253291 /nfs/dbraw/zinc/25/32/91/1047253291.db2.gz UNPFCRQGXDDTCC-INIZCTEOSA-N 0 3 343.883 4.117 20 30 EIEDHN C[C@@H](CCc1cccc(C(F)(F)F)c1)NCc1nc(C#N)cs1 ZINC000897629453 1047403854 /nfs/dbraw/zinc/40/38/54/1047403854.db2.gz VLLRMRZFOQYYNN-NSHDSACASA-N 0 3 339.386 4.144 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCc3c2cc(F)cc3F)c1 ZINC000154695235 1047407191 /nfs/dbraw/zinc/40/71/91/1047407191.db2.gz SNYPAZNEXIWWRP-YWZLYKJASA-N 0 3 342.389 4.423 20 30 EIEDHN CCOc1ccc(O)c(/C=N\C[C@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000746815821 1047427417 /nfs/dbraw/zinc/42/74/17/1047427417.db2.gz NMELCKOCKGZWGH-UZQMFHLOSA-N 0 3 346.858 4.166 20 30 EIEDHN CCOc1ccc(/C=N/C[C@H](c2ccc(Cl)cc2)N(C)C)c(O)c1 ZINC000746816277 1047428538 /nfs/dbraw/zinc/42/85/38/1047428538.db2.gz QSNBFANALKRVHH-AGKWGAAGSA-N 0 3 346.858 4.166 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)cc1 ZINC000824716171 1047909303 /nfs/dbraw/zinc/90/93/03/1047909303.db2.gz SRCMMLZMPDJHSA-UMVBOHGHSA-N 0 3 326.362 4.140 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000814249752 1047918537 /nfs/dbraw/zinc/91/85/37/1047918537.db2.gz NCTHMCDOAWOTNB-JKSUJKDBSA-N 0 3 349.434 4.317 20 30 EIEDHN C=CCN(C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)C(C)C ZINC000919656012 1047927958 /nfs/dbraw/zinc/92/79/58/1047927958.db2.gz DROHCAYKWUPHCV-HXUWFJFHSA-N 0 3 343.515 4.066 20 30 EIEDHN COc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1C#N ZINC000808709583 1048056681 /nfs/dbraw/zinc/05/66/81/1048056681.db2.gz XUABFTYDEMJDMJ-GFCCVEGCSA-N 0 3 330.815 4.085 20 30 EIEDHN C=CCC[C@@H](NCCOc1cccc(C(F)(F)F)n1)c1ccco1 ZINC000556886308 1048106434 /nfs/dbraw/zinc/10/64/34/1048106434.db2.gz SBVDARJAUSJITN-CYBMUJFWSA-N 0 3 340.345 4.369 20 30 EIEDHN N#CCCC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000814659824 1048107320 /nfs/dbraw/zinc/10/73/20/1048107320.db2.gz PZXJCJUJMRLNHU-QGZVFWFLSA-N 0 3 327.359 4.259 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808788922 1048109257 /nfs/dbraw/zinc/10/92/57/1048109257.db2.gz YSTKWNPKYOGSHS-XZOQPEGZSA-N 0 3 342.442 4.431 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(C)(C)c2ccccc2)c1 ZINC000155116221 1048186921 /nfs/dbraw/zinc/18/69/21/1048186921.db2.gz BUSFGZPEGHLXKD-IBGZPJMESA-N 0 3 348.446 4.400 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(C)(C)c2ccccc2)c1 ZINC000155116319 1048187103 /nfs/dbraw/zinc/18/71/03/1048187103.db2.gz BUSFGZPEGHLXKD-LJQANCHMSA-N 0 3 348.446 4.400 20 30 EIEDHN C=CCc1cc(OCC)cc(CN(C)Cc2cccc(OC)c2)c1O ZINC000919936814 1048318355 /nfs/dbraw/zinc/31/83/55/1048318355.db2.gz QYWAIRDIFWCHQD-UHFFFAOYSA-N 0 3 341.451 4.160 20 30 EIEDHN C#Cc1ccc(CNCc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000809605204 1048414243 /nfs/dbraw/zinc/41/42/43/1048414243.db2.gz DCWLQOYNSXQDIN-UHFFFAOYSA-N 0 3 340.426 4.210 20 30 EIEDHN C#Cc1ccc(CNCc2ccc3c(c2)nc(CC)n3C2CC2)cc1 ZINC000809662672 1048468220 /nfs/dbraw/zinc/46/82/20/1048468220.db2.gz CNVUPNFUJSFFEJ-UHFFFAOYSA-N 0 3 329.447 4.205 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccccc2-n2ccnc2)c([O-])c1 ZINC000920176887 1048574055 /nfs/dbraw/zinc/57/40/55/1048574055.db2.gz BCBNNTNPTYDGQM-HZHRSRAPSA-N 0 3 348.450 4.043 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccccc2-n2ccnc2)c([O-])c1 ZINC000920176885 1048574930 /nfs/dbraw/zinc/57/49/30/1048574930.db2.gz BCBNNTNPTYDGQM-HAHDFKILSA-N 0 3 348.450 4.043 20 30 EIEDHN COc1ccc(C(C)=NNc2cccc(F)c2)cc1CN1CCCC1 ZINC000920384590 1048660879 /nfs/dbraw/zinc/66/08/79/1048660879.db2.gz YIJZZLLJSDBYJB-UHFFFAOYSA-N 0 3 341.430 4.266 20 30 EIEDHN C#Cc1ccc(CN2CCC(Oc3ccccc3OC(C)C)CC2)cc1 ZINC001144576916 1048735955 /nfs/dbraw/zinc/73/59/55/1048735955.db2.gz VREQQAAVFPQTSS-UHFFFAOYSA-N 0 3 349.474 4.499 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)N1CCSC[C@@H]1c1ccc(F)cc1 ZINC001171224234 1048859036 /nfs/dbraw/zinc/85/90/36/1048859036.db2.gz QCMTUJFTZGZZFV-FOIQADDNSA-N 0 3 340.467 4.418 20 30 EIEDHN CC(N=Nc1cc(F)c(F)c(F)c1)c1ccc(-n2ccnc2)cc1 ZINC000747641666 1048879603 /nfs/dbraw/zinc/87/96/03/1048879603.db2.gz CMTFSJCTVIMKEU-UHFFFAOYSA-N 0 3 330.313 4.126 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817412012 1048964430 /nfs/dbraw/zinc/96/44/30/1048964430.db2.gz BDDVNEYUHYWQNY-DZGCQCFKSA-N 0 3 326.362 4.142 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2sc(C)nc2C)c1 ZINC000772985359 1049245766 /nfs/dbraw/zinc/24/57/66/1049245766.db2.gz QZASETMGZQPGSQ-MLGOLLRUSA-N 0 3 329.469 4.292 20 30 EIEDHN C=CCN(Cc1cccs1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812311424 1049424529 /nfs/dbraw/zinc/42/45/29/1049424529.db2.gz CADBNJLQKQMXQP-MRXNPFEDSA-N 0 3 341.398 4.489 20 30 EIEDHN CC[NH+](CC)Cc1cc(C(C)=NNc2ccccc2F)ccc1[O-] ZINC000812460421 1049480499 /nfs/dbraw/zinc/48/04/99/1049480499.db2.gz SCADYMLHOZWUGQ-UHFFFAOYSA-N 0 3 329.419 4.209 20 30 EIEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2ccccc2F)ccc1[O-] ZINC000812460421 1049480516 /nfs/dbraw/zinc/48/05/16/1049480516.db2.gz SCADYMLHOZWUGQ-UHFFFAOYSA-N 0 3 329.419 4.209 20 30 EIEDHN C=CCc1cc(CN[C@H]2CCc3c2cccc3F)cc(OC)c1OC ZINC000747815407 1049577251 /nfs/dbraw/zinc/57/72/51/1049577251.db2.gz HGAYXYCICAEFLG-IBGZPJMESA-N 0 3 341.426 4.349 20 30 EIEDHN C#C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000812794341 1049592719 /nfs/dbraw/zinc/59/27/19/1049592719.db2.gz YYRXNTWZWPYXHJ-ATKRNPRHSA-N 0 3 332.422 4.494 20 30 EIEDHN C#C[C@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812795113 1049594332 /nfs/dbraw/zinc/59/43/32/1049594332.db2.gz LVXKGLMJHAYERY-KDOFPFPSSA-N 0 3 326.371 4.019 20 30 EIEDHN N#CC1(c2ccccc2)CCN([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171423062 1049660565 /nfs/dbraw/zinc/66/05/65/1049660565.db2.gz XDINIZYHVZOZCJ-LJQANCHMSA-N 0 3 334.438 4.240 20 30 EIEDHN CC(C)(NCc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000037129025 1049661402 /nfs/dbraw/zinc/66/14/02/1049661402.db2.gz NITDXVAFTLRFDL-UHFFFAOYSA-N 0 3 329.241 4.346 20 30 EIEDHN Cc1ccc(O[C@H](C)C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000813212824 1049706811 /nfs/dbraw/zinc/70/68/11/1049706811.db2.gz GMTNJZKEYIBTFL-IUODEOHRSA-N 0 3 348.324 4.053 20 30 EIEDHN CC[C@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171590919 1049751740 /nfs/dbraw/zinc/75/17/40/1049751740.db2.gz SGKGCLJIQCWPMZ-OAGGEKHMSA-N 0 3 337.508 4.082 20 30 EIEDHN CC[C@H](C)N(CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC001171917016 1049819212 /nfs/dbraw/zinc/81/92/12/1049819212.db2.gz SCGWQWWHUNQNML-AWEZNQCLSA-N 0 3 344.503 4.151 20 30 EIEDHN C=CCN(Cc1ccc(OCc2ccc(F)cc2)cc1)[C@@H](C)COC ZINC001171915735 1049819310 /nfs/dbraw/zinc/81/93/10/1049819310.db2.gz GJERQBGRLLTQDD-KRWDZBQOSA-N 0 3 343.442 4.428 20 30 EIEDHN CC[C@@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172051064 1049842760 /nfs/dbraw/zinc/84/27/60/1049842760.db2.gz DYPPQQSLOLNEHW-DLBZAZTESA-N 0 3 349.519 4.371 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)N(C)Cc1ncccc1C(F)(F)F ZINC001172314676 1049875399 /nfs/dbraw/zinc/87/53/99/1049875399.db2.gz LEZMOXQTMBUFDK-CYBMUJFWSA-N 0 3 333.357 4.035 20 30 EIEDHN CCCCCCC[C@@H](CC)NCc1ccccc1S(C)(=O)=O ZINC001172352167 1049891944 /nfs/dbraw/zinc/89/19/44/1049891944.db2.gz ZOSCQSPBGTXLRU-QGZVFWFLSA-N 0 3 325.518 4.319 20 30 EIEDHN C[C@H](CCCC#N)NCc1coc(-c2cccc(Br)c2)n1 ZINC001172492475 1049921920 /nfs/dbraw/zinc/92/19/20/1049921920.db2.gz SBUJTMQDEMVOOS-GFCCVEGCSA-N 0 3 348.244 4.276 20 30 EIEDHN C[C@@H](CCCC#N)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001172500029 1049922759 /nfs/dbraw/zinc/92/27/59/1049922759.db2.gz IRYHDLPCLQGWDI-ZDUSSCGKSA-N 0 3 326.271 4.198 20 30 EIEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172560466 1049933683 /nfs/dbraw/zinc/93/36/83/1049933683.db2.gz IOVDNYZUAUNMDL-YUMYIRISSA-N 0 3 341.495 4.149 20 30 EIEDHN CC(C)Oc1cccc(CC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000069285807 1050030060 /nfs/dbraw/zinc/03/00/60/1050030060.db2.gz YKYJTSCGDIYSIA-INIZCTEOSA-N 0 3 334.375 4.034 20 30 EIEDHN C=CC[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000617777305 1050102311 /nfs/dbraw/zinc/10/23/11/1050102311.db2.gz MBXZAXDNBDQFAX-GOSISDBHSA-N 0 3 326.484 4.101 20 30 EIEDHN CCOC(=O)C1(C#N)CCN(C2CCC3(CCCCC3)CC2)CC1 ZINC001173121029 1050317549 /nfs/dbraw/zinc/31/75/49/1050317549.db2.gz MGOCQIZVILAFGX-UHFFFAOYSA-N 0 3 332.488 4.048 20 30 EIEDHN C[C@]1(c2ccc(Cl)cc2)CN(C2CCC(CC#N)CC2)CCO1 ZINC001173337520 1050428282 /nfs/dbraw/zinc/42/82/82/1050428282.db2.gz MZXRJZFYOHCCJM-XUJQIHCRSA-N 0 3 332.875 4.360 20 30 EIEDHN C[C@@H]1CC(N(CCC#N)C2CCCC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173682561 1050531306 /nfs/dbraw/zinc/53/13/06/1050531306.db2.gz CNZZDJSBLAVEHJ-HZPDHXFCSA-N 0 3 349.519 4.321 20 30 EIEDHN COc1cc(C)c([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618807451 1050535261 /nfs/dbraw/zinc/53/52/61/1050535261.db2.gz ZKTRIEFESNYPOE-KUHUBIRLSA-N 0 3 336.435 4.222 20 30 EIEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(OC(F)F)c1 ZINC000618807410 1050536321 /nfs/dbraw/zinc/53/63/21/1050536321.db2.gz UKFLKAJIVAXACH-KPZWWZAWSA-N 0 3 328.362 4.498 20 30 EIEDHN COc1cc(C)c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618807449 1050536742 /nfs/dbraw/zinc/53/67/42/1050536742.db2.gz ZKTRIEFESNYPOE-AUUYWEPGSA-N 0 3 336.435 4.222 20 30 EIEDHN C#Cc1ccc(CNCc2ccc(Oc3cccnc3)c(C)c2)cc1 ZINC001178758656 1050546484 /nfs/dbraw/zinc/54/64/84/1050546484.db2.gz DAIGGNPUCQTKSO-UHFFFAOYSA-N 0 3 328.415 4.453 20 30 EIEDHN C=CCCC[C@H](NCc1cc(C(=O)OC)c(C)n1C)c1ccccc1 ZINC001179457698 1050702144 /nfs/dbraw/zinc/70/21/44/1050702144.db2.gz JPSGDDCTSMNPIE-FQEVSTJZSA-N 0 3 340.467 4.307 20 30 EIEDHN C=CC(C)(C)CCCNCc1nc(C(F)(F)F)n2c1CCCC2 ZINC001179515465 1050706929 /nfs/dbraw/zinc/70/69/29/1050706929.db2.gz ABLLTGVLNYKPGF-UHFFFAOYSA-N 0 3 329.410 4.320 20 30 EIEDHN COc1ccc(C(N[C@@H]2CC[C@H](C#N)C2)c2ccc(OC)cc2)cc1 ZINC000619672384 1050850631 /nfs/dbraw/zinc/85/06/31/1050850631.db2.gz NPVNQARBWAUHIJ-MAUKXSAKSA-N 0 3 336.435 4.075 20 30 EIEDHN CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000619755690 1050882863 /nfs/dbraw/zinc/88/28/63/1050882863.db2.gz PJOASWORQWTORA-QGZVFWFLSA-N 0 3 342.826 4.224 20 30 EIEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000619754887 1050885938 /nfs/dbraw/zinc/88/59/38/1050885938.db2.gz NXJWHUAXHUJJLN-CQSZACIVSA-N 0 3 336.826 4.248 20 30 EIEDHN CCOc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182926030 1050888778 /nfs/dbraw/zinc/88/87/78/1050888778.db2.gz DAOIELJCONELEW-UHFFFAOYSA-N 0 3 335.451 4.033 20 30 EIEDHN CC[C@H]1c2ccsc2CCN1CCC(=O)Nc1sccc1C#N ZINC000198432419 1050980147 /nfs/dbraw/zinc/98/01/47/1050980147.db2.gz DSMCSTVWUMPJAB-AWEZNQCLSA-N 0 3 345.493 4.019 20 30 EIEDHN C=CCN(CC(=O)N[C@@H](c1ccccc1)C1CCCC1)C(C)(C)C ZINC001174643034 1051098010 /nfs/dbraw/zinc/09/80/10/1051098010.db2.gz ZQWXUDSEDCZCIK-FQEVSTJZSA-N 0 3 328.500 4.321 20 30 EIEDHN C=CC[C@H](CC)NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001181264843 1051193870 /nfs/dbraw/zinc/19/38/70/1051193870.db2.gz ARXHHLMBVMVEAK-NSHDSACASA-N 0 3 325.243 4.018 20 30 EIEDHN Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(C)c2C)c(C#N)c1C ZINC000183734550 1051323429 /nfs/dbraw/zinc/32/34/29/1051323429.db2.gz OAOVLLWCAJCUHJ-HUUCEWRRSA-N 0 3 339.439 4.063 20 30 EIEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)CC(=O)Nc1cccc(C#N)c1 ZINC001191194530 1051380570 /nfs/dbraw/zinc/38/05/70/1051380570.db2.gz UJPWZTMKGNAMLM-NRFANRHFSA-N 0 3 349.478 4.148 20 30 EIEDHN COc1ccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000155435299 1051420371 /nfs/dbraw/zinc/42/03/71/1051420371.db2.gz WDQBZGWOCIZGRP-INIZCTEOSA-N 0 3 349.415 4.065 20 30 EIEDHN CC[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000774148823 1051481838 /nfs/dbraw/zinc/48/18/38/1051481838.db2.gz CUQQZZVGDROZHL-OAQYLSRUSA-N 0 3 347.462 4.035 20 30 EIEDHN COc1ccc([C@H](NCC#Cc2cccc(Cl)c2)C2CC2)cc1 ZINC001192585667 1051770884 /nfs/dbraw/zinc/77/08/84/1051770884.db2.gz ZDJMJBZWHSUIBD-HXUWFJFHSA-N 0 3 325.839 4.441 20 30 EIEDHN CCN1CCN(c2ccc(Nc3c(Cl)cccc3C#N)cc2)CC1 ZINC001175780371 1051780867 /nfs/dbraw/zinc/78/08/67/1051780867.db2.gz FADWMPBYQRAGJC-UHFFFAOYSA-N 0 3 340.858 4.097 20 30 EIEDHN CCN1CCN(c2ccc(Nc3sc(C)c(C)c3C#N)cc2)CC1 ZINC001175779656 1051782426 /nfs/dbraw/zinc/78/24/26/1051782426.db2.gz NTWUTRNCMWBWPW-UHFFFAOYSA-N 0 3 340.496 4.122 20 30 EIEDHN C=CCC[C@H](NC/C=C/C(=O)OCC)c1ccc(C(F)(F)F)cc1 ZINC001192635732 1051786229 /nfs/dbraw/zinc/78/62/29/1051786229.db2.gz QLZGBVSMWKNISR-BVBGJJFLSA-N 0 3 341.373 4.422 20 30 EIEDHN C=CCC[C@@H](NCC(=O)NCCC1CCCCC1)c1ccccc1 ZINC001192711204 1051803510 /nfs/dbraw/zinc/80/35/10/1051803510.db2.gz UGNMEUDQUHVXPU-HXUWFJFHSA-N 0 3 328.500 4.370 20 30 EIEDHN C=CCC[C@H](NCCS(=O)(=O)C1CCCCC1)c1ccccc1 ZINC001192720032 1051805284 /nfs/dbraw/zinc/80/52/84/1051805284.db2.gz RQTDWMAQWPCLHA-IBGZPJMESA-N 0 3 335.513 4.031 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(C)(C(C)C)CC1 ZINC001193616124 1051954618 /nfs/dbraw/zinc/95/46/18/1051954618.db2.gz JAOMHDACHJBKLU-KRWDZBQOSA-N 0 3 348.556 4.409 20 30 EIEDHN CC(C)(C#N)c1ccc(CN2CCO[C@@H](c3ccccc3)CC2)cc1 ZINC001184349454 1051997513 /nfs/dbraw/zinc/99/75/13/1051997513.db2.gz AFTDYBYQIYUYEH-OAQYLSRUSA-N 0 3 334.463 4.451 20 30 EIEDHN Cc1nsc(NC[C@@H](c2ccccc2)N2CCC(C)CC2)c1C#N ZINC001184981471 1052138303 /nfs/dbraw/zinc/13/83/03/1052138303.db2.gz AQVXDEVTKPSLBN-SFHVURJKSA-N 0 3 340.496 4.208 20 30 EIEDHN CC(C)C[C@]1(C)CCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001194533578 1052163849 /nfs/dbraw/zinc/16/38/49/1052163849.db2.gz DVTASRRKDCGVEV-SFHVURJKSA-N 0 3 333.863 4.051 20 30 EIEDHN C=C(C)COc1cc(CNCc2cnc3ccccc3c2)ccc1OC ZINC000622267277 1052169268 /nfs/dbraw/zinc/16/92/68/1052169268.db2.gz XNLGEBPUMRMACN-UHFFFAOYSA-N 0 3 348.446 4.488 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@H](C4CCCC4)C3)o2)c1 ZINC001176939503 1052208097 /nfs/dbraw/zinc/20/80/97/1052208097.db2.gz KCGKRHNAOBDSLX-SFHVURJKSA-N 0 3 336.439 4.010 20 30 EIEDHN C=CCN1CCC(NC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000172349846 1052493348 /nfs/dbraw/zinc/49/33/48/1052493348.db2.gz ZEWBYHQDKGOCCI-QGZVFWFLSA-N 0 3 328.500 4.070 20 30 EIEDHN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000072605861 1052497147 /nfs/dbraw/zinc/49/71/47/1052497147.db2.gz WRVLDFFKJOZINI-IRXDYDNUSA-N 0 3 338.455 4.303 20 30 EIEDHN CCCOc1ccc(CNCc2cccc(O[C@H](C#N)CC)c2)cc1 ZINC000073011967 1052671792 /nfs/dbraw/zinc/67/17/92/1052671792.db2.gz WRDUDKQCEVZWGY-IBGZPJMESA-N 0 3 338.451 4.446 20 30 EIEDHN CC(C)(CCC#N)CNCc1csc(CCc2ccccc2)n1 ZINC000083476633 1052966064 /nfs/dbraw/zinc/96/60/64/1052966064.db2.gz LGNPPGFVHPXLIK-UHFFFAOYSA-N 0 3 327.497 4.348 20 30 EIEDHN CC[C@H]1CN(c2ccccc2)CCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000764679839 1053266763 /nfs/dbraw/zinc/26/67/63/1053266763.db2.gz XCTGGTVQLLKRET-ICSRJNTNSA-N 0 3 349.478 4.078 20 30 EIEDHN N#CC(C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000850738272 1053343537 /nfs/dbraw/zinc/34/35/37/1053343537.db2.gz JFTYJMSAOMYBPD-KZNAEPCWSA-N 0 3 343.430 4.398 20 30 EIEDHN C=CCCC1(CNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CCCC1 ZINC000851641110 1053504258 /nfs/dbraw/zinc/50/42/58/1053504258.db2.gz GDJHNQYTNJZEHL-INIZCTEOSA-N 0 3 349.906 4.076 20 30 EIEDHN Cc1ccc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)n1C ZINC000338941965 1053548077 /nfs/dbraw/zinc/54/80/77/1053548077.db2.gz NJSZOCRJCCIHAO-LLVKDONJSA-N 0 3 329.812 4.087 20 30 EIEDHN CCN(CCOc1ccccc1OC)Cc1cc(Cl)cc(C#N)c1 ZINC001196479826 1053678392 /nfs/dbraw/zinc/67/83/92/1053678392.db2.gz RRMMVKMBUBWLSH-UHFFFAOYSA-N 0 3 344.842 4.121 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCc3cc(OC)ccc32)c1 ZINC000866296314 1053680194 /nfs/dbraw/zinc/68/01/94/1053680194.db2.gz AJTIMPZMLGJUCT-UWJYYQICSA-N 0 3 336.435 4.153 20 30 EIEDHN CCC#C[C@H](C)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1 ZINC000854096039 1053754006 /nfs/dbraw/zinc/75/40/06/1053754006.db2.gz JSGFTEVEBFHRTE-KRWDZBQOSA-N 0 3 349.478 4.134 20 30 EIEDHN CCOCCN(Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC001196889516 1053792795 /nfs/dbraw/zinc/79/27/95/1053792795.db2.gz SZCVIBRRIQKQQT-NRFANRHFSA-N 0 3 338.426 4.223 20 30 EIEDHN CC(C)CCOC1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000121610719 1053827579 /nfs/dbraw/zinc/82/75/79/1053827579.db2.gz ILEJIYFWFFBLPO-QGZVFWFLSA-N 0 3 330.472 4.005 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2sccc2C)ccc1OC ZINC000113347649 1053923236 /nfs/dbraw/zinc/92/32/36/1053923236.db2.gz WCPHXBKDVBWVQC-HNNXBMFYSA-N 0 3 330.453 4.036 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(C)s2)ccc1OC ZINC000113348093 1053924282 /nfs/dbraw/zinc/92/42/82/1053924282.db2.gz ASCIIKGIZJEZPO-OAHLLOKOSA-N 0 3 330.453 4.036 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000113960767 1054033209 /nfs/dbraw/zinc/03/32/09/1054033209.db2.gz OPMRDVGBMYNLOJ-INIZCTEOSA-N 0 3 346.377 4.259 20 30 EIEDHN N#CC(C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)c1ccc2ccccc2n1 ZINC000870123986 1054063073 /nfs/dbraw/zinc/06/30/73/1054063073.db2.gz WFTDXRWUAXCOBL-WFFDWFOESA-N 0 3 346.430 4.197 20 30 EIEDHN COc1cc(C)cc(C(=O)C(C#N)c2nc(C(C)C)cs2)c1C ZINC000870225354 1054074676 /nfs/dbraw/zinc/07/46/76/1054074676.db2.gz PWFGDVPWIPUELY-CQSZACIVSA-N 0 3 328.437 4.382 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccccc2)C[C@H](O)c2cccs2)cc1 ZINC000123456183 1054149922 /nfs/dbraw/zinc/14/99/22/1054149922.db2.gz XIVKACYOGMYCSW-FQEVSTJZSA-N 0 3 348.471 4.356 20 30 EIEDHN N#CC(C(=O)Nc1cccc(Cl)c1)c1nc2ccccc2s1 ZINC000338625174 1054258836 /nfs/dbraw/zinc/25/88/36/1054258836.db2.gz HUFLORLONCTXIT-LBPRGKRZSA-N 0 3 327.796 4.196 20 30 EIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000338628191 1054271321 /nfs/dbraw/zinc/27/13/21/1054271321.db2.gz UOIYWJFKWVUIJV-GFCCVEGCSA-N 0 3 327.796 4.196 20 30 EIEDHN COc1cc2c(cc1OC)[C@H](NCc1cccc(C#N)c1)CCCC2 ZINC000872020831 1054333519 /nfs/dbraw/zinc/33/35/19/1054333519.db2.gz KRCIKVMVVKXEIQ-LJQANCHMSA-N 0 3 336.435 4.133 20 30 EIEDHN Cc1cc(CN2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)ccc1C#N ZINC000858011083 1054395617 /nfs/dbraw/zinc/39/56/17/1054395617.db2.gz QAULFMWYVFEMIS-OAQYLSRUSA-N 0 3 347.462 4.183 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045974 1054408140 /nfs/dbraw/zinc/40/81/40/1054408140.db2.gz FDZXENCPTBJEPU-QRWLVFNGSA-N 0 3 333.435 4.045 20 30 EIEDHN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000776011865 1054444373 /nfs/dbraw/zinc/44/43/73/1054444373.db2.gz BYBWBDVSLGAMHI-PBHICJAKSA-N 0 3 339.405 4.199 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc(OC(C)(C)C)c2)cc1 ZINC000873164998 1054497670 /nfs/dbraw/zinc/49/76/70/1054497670.db2.gz OTZNYECWPAYVOH-MRXNPFEDSA-N 0 3 338.451 4.445 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CCCc2ccccc2)c1 ZINC000776078061 1054525234 /nfs/dbraw/zinc/52/52/34/1054525234.db2.gz SVTCBRXQYXJNNN-PXNSSMCTSA-N 0 3 348.446 4.301 20 30 EIEDHN CCCCCCCN1CCCn2cnc(COc3cccnc3)c2C1 ZINC001201776610 1054914989 /nfs/dbraw/zinc/91/49/89/1054914989.db2.gz HAHUBJVETXTGHI-UHFFFAOYSA-N 0 3 342.487 4.033 20 30 EIEDHN CCCCCCCCN1CCN(C[C@H](OC)c2ccccc2)CC1 ZINC001201840277 1054933331 /nfs/dbraw/zinc/93/33/31/1054933331.db2.gz RUYLCAWQLAFKBO-NRFANRHFSA-N 0 3 332.532 4.352 20 30 EIEDHN N#CCOc1ccc(CN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC001137114470 1054983718 /nfs/dbraw/zinc/98/37/18/1054983718.db2.gz MGKNIBPDAJKSFV-UHFFFAOYSA-N 0 3 347.418 4.110 20 30 EIEDHN COc1cccc([C@H]2CCCCN2Cc2ccc(OCC#N)cc2)c1 ZINC001137119606 1055042577 /nfs/dbraw/zinc/04/25/77/1055042577.db2.gz ZAMRUATWAVJDAO-OAQYLSRUSA-N 0 3 336.435 4.325 20 30 EIEDHN Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1-c1ccsc1 ZINC000877455717 1055056093 /nfs/dbraw/zinc/05/60/93/1055056093.db2.gz KVRRTALLTYAFPB-KRWDZBQOSA-N 0 3 327.453 4.073 20 30 EIEDHN COc1cc([C@H](C)NCC2(CC#N)CC2)ccc1OCCC(C)C ZINC000619535113 1056398264 /nfs/dbraw/zinc/39/82/64/1056398264.db2.gz QSWGQHZWCAVGEM-INIZCTEOSA-N 0 3 330.472 4.465 20 30 EIEDHN COc1ccc(CN[C@H](c2cccnc2)C2CCCCC2)cc1C#N ZINC000742369757 1058596662 /nfs/dbraw/zinc/59/66/62/1058596662.db2.gz QMSSXWRZHXZIOG-NRFANRHFSA-N 0 3 335.451 4.373 20 30 EIEDHN C=CCc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(OC)c1OC ZINC000743472782 1059021286 /nfs/dbraw/zinc/02/12/86/1059021286.db2.gz JQUJEHOJUNANHV-OAHLLOKOSA-N 0 3 336.435 4.155 20 30 EIEDHN C#C[C@H](N[C@H](C)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC001205990884 1060129953 /nfs/dbraw/zinc/12/99/53/1060129953.db2.gz XBQBYTWHTKKKBJ-ACJLOTCBSA-N 0 3 346.243 4.483 20 30 EIEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@@H]2CCC(C)C)c1C#N ZINC001169364227 1060781918 /nfs/dbraw/zinc/78/19/18/1060781918.db2.gz CNXJGRNMIWOGNI-DNVCBOLYSA-N 0 3 328.456 4.039 20 30 EIEDHN C=C(C)[C@H](NC[C@@H]1Cc2cc(OC)ccc2O1)c1ccc(F)c(F)c1 ZINC001169472530 1060832955 /nfs/dbraw/zinc/83/29/55/1060832955.db2.gz HSZLYVQTAGYLST-JXFKEZNVSA-N 0 3 345.389 4.184 20 30 EIEDHN CCOc1cccc(CN[C@H](C)CC(C)(C)C#N)c1OC(F)F ZINC000925254043 1032116041 /nfs/dbraw/zinc/11/60/41/1032116041.db2.gz MAGSYRFSBSQEMK-GFCCVEGCSA-N 0 3 326.387 4.105 20 30 EIEDHN N#CCCn1cc(CN2CCC[C@H]3CCC[C@H]32)c(-c2ccccc2)n1 ZINC000245556948 1032311068 /nfs/dbraw/zinc/31/10/68/1032311068.db2.gz JLRCURYZBDVAFZ-YLJYHZDGSA-N 0 3 334.467 4.228 20 30 EIEDHN COc1ccccc1[C@@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000245813239 1032494035 /nfs/dbraw/zinc/49/40/35/1032494035.db2.gz ZREOODVFPUUCNB-JXFKEZNVSA-N 0 3 336.435 4.323 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@H](C)c2ccccc2)c1 ZINC000160158457 1018738389 /nfs/dbraw/zinc/73/83/89/1018738389.db2.gz WWXMALDVEUMZMH-LPHOPBHVSA-N 0 3 334.419 4.226 20 30 EIEDHN Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000339659831 1019777909 /nfs/dbraw/zinc/77/79/09/1019777909.db2.gz CBOAWEJEYHRLBC-GOSISDBHSA-N 0 3 348.425 4.020 20 30 EIEDHN CC(C)N(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC1CC1 ZINC000533495107 1019910804 /nfs/dbraw/zinc/91/08/04/1019910804.db2.gz UIIOBDSYENVWRM-HNNXBMFYSA-N 0 3 345.512 4.140 20 30 EIEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccc(C)cc1 ZINC000728918491 1032870401 /nfs/dbraw/zinc/87/04/01/1032870401.db2.gz ZKMWWQWAUABLFG-MRXNPFEDSA-N 0 3 349.459 4.308 20 30 EIEDHN Cc1cc2ncc([C@H](C)N[C@@H](CCCC#N)c3ccccc3)c(C)n2n1 ZINC000340444770 1021039076 /nfs/dbraw/zinc/03/90/76/1021039076.db2.gz JKSPBOMTOKUSLO-JXFKEZNVSA-N 0 3 347.466 4.432 20 30 EIEDHN CN(C)[C@@H]1CCOc2c(Nc3cc(Cl)cc(C#N)c3)cccc21 ZINC001210539831 1021205270 /nfs/dbraw/zinc/20/52/70/1021205270.db2.gz LQNYUGPYXATNIZ-QGZVFWFLSA-N 0 3 327.815 4.340 20 30 EIEDHN CCOc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000610344737 1021343971 /nfs/dbraw/zinc/34/39/71/1021343971.db2.gz GPSIECISVQEIDO-CYBMUJFWSA-N 0 3 344.842 4.470 20 30 EIEDHN N#Cc1ccc([C@H](O)CN[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000177743849 1021633842 /nfs/dbraw/zinc/63/38/42/1021633842.db2.gz DGCXZWCTGNKNPP-YADHBBJMSA-N 0 3 346.405 4.110 20 30 EIEDHN N#CCOc1ccc(CNCc2ccc(Cl)c3cccnc23)cc1 ZINC000177770149 1021671278 /nfs/dbraw/zinc/67/12/78/1021671278.db2.gz HAHCIIGOVGHBPE-UHFFFAOYSA-N 0 3 337.810 4.080 20 30 EIEDHN C[C@@H]1c2ccccc2CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180089878 1021709991 /nfs/dbraw/zinc/70/99/91/1021709991.db2.gz YEOQGOVVJPIXQZ-MRXNPFEDSA-N 0 3 342.446 4.078 20 30 EIEDHN C[C@@H](c1ccncc1)N1CCC(/N=C\c2cc(Cl)ccc2O)CC1 ZINC000255181559 1021775055 /nfs/dbraw/zinc/77/50/55/1021775055.db2.gz RFXIDEHIOIAYTK-CRRPLPBISA-N 0 3 343.858 4.085 20 30 EIEDHN C=CCC[C@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccco1 ZINC000683889978 1021879733 /nfs/dbraw/zinc/87/97/33/1021879733.db2.gz BTXLVGPOLLNGDS-WBVHZDCISA-N 0 3 332.394 4.434 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414152661 1021982385 /nfs/dbraw/zinc/98/23/85/1021982385.db2.gz QPGFKKBGMWZJAR-HFTRVMKXSA-N 0 3 328.481 4.442 20 30 EIEDHN Cc1cc(CCCC(=O)C(C#N)C(=O)Nc2ccccc2)c(C)s1 ZINC000175943432 1022003781 /nfs/dbraw/zinc/00/37/81/1022003781.db2.gz HRMBWNIISBOBIO-QGZVFWFLSA-N 0 3 340.448 4.035 20 30 EIEDHN N#Cc1ccc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)s1 ZINC000180163340 1022091886 /nfs/dbraw/zinc/09/18/86/1022091886.db2.gz BJGBDUVHTLHEBM-ZDUSSCGKSA-N 0 3 343.521 4.335 20 30 EIEDHN C#CCN(CC1CCCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001167420427 1022243057 /nfs/dbraw/zinc/24/30/57/1022243057.db2.gz DVHUGCVMJSQPOI-QGZVFWFLSA-N 0 3 348.284 4.398 20 30 EIEDHN C=C[C@H](CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000533912701 1022600175 /nfs/dbraw/zinc/60/01/75/1022600175.db2.gz VQNFMTITGKHAQI-IRLDBZIGSA-N 0 3 348.490 4.127 20 30 EIEDHN C[C@H]1Cc2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)ccc2O1 ZINC000581083022 1022824613 /nfs/dbraw/zinc/82/46/13/1022824613.db2.gz OMROOFHMYCKOQR-FZMZJTMJSA-N 0 3 340.448 4.254 20 30 EIEDHN N#Cc1csc(CNCc2ccc(OCc3ccccc3)cc2)c1 ZINC000177685857 1023022722 /nfs/dbraw/zinc/02/27/22/1023022722.db2.gz TYEMXNRLDGPEPH-UHFFFAOYSA-N 0 3 334.444 4.489 20 30 EIEDHN CC[C@@H](NCc1ccc(-n2ccnc2C)c(F)c1)c1ccc(C#N)cc1 ZINC000377080649 1023365710 /nfs/dbraw/zinc/36/57/10/1023365710.db2.gz UXPWBSCXSZVQKL-HXUWFJFHSA-N 0 3 348.425 4.432 20 30 EIEDHN Clc1cccc(C#CCN[C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000538187527 1023499980 /nfs/dbraw/zinc/49/99/80/1023499980.db2.gz HJGAJGOXSKTFAP-QUCCMNQESA-N 0 3 325.839 4.059 20 30 EIEDHN CC(C)Cc1ccc(C(=O)C2CCN([C@H](C)CCC#N)CC2)cc1 ZINC000472763578 1023523007 /nfs/dbraw/zinc/52/30/07/1023523007.db2.gz ATYXWYSECGSMMK-QGZVFWFLSA-N 0 3 326.484 4.472 20 30 EIEDHN N#CCCCOc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000418143935 1023556582 /nfs/dbraw/zinc/55/65/82/1023556582.db2.gz JONJBCHBYQVOHK-JOCHJYFZSA-N 0 3 345.446 4.408 20 30 EIEDHN N#Cc1ccc2ncc(CN3CCCCC[C@@H]3c3ccccc3)n2c1 ZINC000510450032 1023596950 /nfs/dbraw/zinc/59/69/50/1023596950.db2.gz QNKXLMITBZVKHH-HXUWFJFHSA-N 0 3 330.435 4.323 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc(C)nc3c2CCCC3)c1 ZINC000892973345 1023619461 /nfs/dbraw/zinc/61/94/61/1023619461.db2.gz OZSBFZJXGMGJQJ-LJQANCHMSA-N 0 3 349.478 4.240 20 30 EIEDHN N#Cc1ccc(CN2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000377671820 1023672082 /nfs/dbraw/zinc/67/20/82/1023672082.db2.gz JAHFPKDOGFLVEV-UHFFFAOYSA-N 0 3 335.382 4.218 20 30 EIEDHN CC(C)OCc1ccccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000728711968 1023762008 /nfs/dbraw/zinc/76/20/08/1023762008.db2.gz PYGOBQRYTFMSOP-QGZVFWFLSA-N 0 3 338.451 4.192 20 30 EIEDHN CCCN(CCCCC#N)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000198681054 1024002504 /nfs/dbraw/zinc/00/25/04/1024002504.db2.gz FVOFLXKXRBOJQR-UHFFFAOYSA-N 0 3 342.270 4.338 20 30 EIEDHN C[C@H](CC(C)(C)C#N)NCc1ccnc(Oc2ccccc2F)c1 ZINC000926309382 1024951805 /nfs/dbraw/zinc/95/18/05/1024951805.db2.gz ATSKXSGPMPFPJW-CQSZACIVSA-N 0 3 327.403 4.431 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(CCC(F)(F)F)cc2)n1 ZINC000151998161 1025159838 /nfs/dbraw/zinc/15/98/38/1025159838.db2.gz RUFLFSUFNHIXJN-ZDUSSCGKSA-N 0 3 338.354 4.437 20 30 EIEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167500914 1025358172 /nfs/dbraw/zinc/35/81/72/1025358172.db2.gz XQDLOEFKYUHWRD-GDBMZVCRSA-N 0 3 347.890 4.016 20 30 EIEDHN CCCOc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1OC ZINC000539252355 1025891973 /nfs/dbraw/zinc/89/19/73/1025891973.db2.gz JWVIDVCTYBYFIB-AWEZNQCLSA-N 0 3 342.414 4.346 20 30 EIEDHN C=C(C)[C@@H](NCc1cc(C)cc(OC)c1O)c1ccc(F)c(F)c1 ZINC000894487892 1026037961 /nfs/dbraw/zinc/03/79/61/1026037961.db2.gz NLPFMAZZOGZXRN-GOSISDBHSA-N 0 3 333.378 4.394 20 30 EIEDHN COc1cc(CN[C@@H](C)c2ccc(Br)cc2)ccc1C#N ZINC000234937785 1026143173 /nfs/dbraw/zinc/14/31/73/1026143173.db2.gz OSVHPODWHSIRSX-LBPRGKRZSA-N 0 3 345.240 4.180 20 30 EIEDHN COc1cc(CNCCCC#N)ccc1OCc1ccc(Cl)cc1 ZINC000344329533 1026252916 /nfs/dbraw/zinc/25/29/16/1026252916.db2.gz SRHOEQNZDSODKB-UHFFFAOYSA-N 0 3 344.842 4.321 20 30 EIEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000540705453 1026467534 /nfs/dbraw/zinc/46/75/34/1026467534.db2.gz GMXKEPIPZPOKOF-KZULUSFZSA-N 0 3 332.806 4.389 20 30 EIEDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C#N)cc1F ZINC000512282094 1026642138 /nfs/dbraw/zinc/64/21/38/1026642138.db2.gz UAYKNJGAFDUSBY-LLVKDONJSA-N 0 3 347.777 4.152 20 30 EIEDHN CCN(Cc1c[nH]nc1-c1ccc(C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000119851913 1026701363 /nfs/dbraw/zinc/70/13/63/1026701363.db2.gz YRAVOUJURYDCNE-OAHLLOKOSA-N 0 3 334.423 4.433 20 30 EIEDHN CC(C)(C)C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342736370 1026919414 /nfs/dbraw/zinc/91/94/14/1026919414.db2.gz WXZYYHISGJZVDI-IBGZPJMESA-N 0 3 332.451 4.473 20 30 EIEDHN C=CCC[C@H](N[C@H](C)CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000342797971 1027040305 /nfs/dbraw/zinc/04/03/05/1027040305.db2.gz SWEOLZPYJKGIFY-XLIONFOSSA-N 0 3 343.492 4.146 20 30 EIEDHN C=CCC[C@@H](NCc1ccc(S(=O)(=O)CC)cc1)c1ccccc1 ZINC000347332126 1027731218 /nfs/dbraw/zinc/73/12/18/1027731218.db2.gz KXQLXSLLKNQUBN-HXUWFJFHSA-N 0 3 343.492 4.277 20 30 EIEDHN C=CC[C@H]1N(C(=O)c2cccc(CN3CCCC3)c2)CCCC1(C)C ZINC000444632605 1027909719 /nfs/dbraw/zinc/90/97/19/1027909719.db2.gz GORXRDVJCCFYRQ-HXUWFJFHSA-N 0 3 340.511 4.489 20 30 EIEDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000444668372 1027952843 /nfs/dbraw/zinc/95/28/43/1027952843.db2.gz USMDUWAZKDZHON-HOCLYGCPSA-N 0 3 333.501 4.076 20 30 EIEDHN CC(C)(C)[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000522556279 1028000760 /nfs/dbraw/zinc/00/07/60/1028000760.db2.gz XGRXNDQULAMXSI-GOSISDBHSA-N 0 3 341.499 4.081 20 30 EIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(F)cc1C(F)(F)F)CC2 ZINC000583351692 1028563893 /nfs/dbraw/zinc/56/38/93/1028563893.db2.gz LDTYCHCSCQFCBN-KRWDZBQOSA-N 0 3 334.316 4.493 20 30 EIEDHN CC[C@@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000278264457 1028760877 /nfs/dbraw/zinc/76/08/77/1028760877.db2.gz OGKHRKFHFWOTLV-OAQYLSRUSA-N 0 3 347.462 4.316 20 30 EIEDHN C[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCCC[C@@H]12 ZINC000524758843 1029209700 /nfs/dbraw/zinc/20/97/00/1029209700.db2.gz GYMTZRTWTYBBGX-JLSDUUJJSA-N 0 3 336.439 4.009 20 30 EIEDHN CCOc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114620338 1029256718 /nfs/dbraw/zinc/25/67/18/1029256718.db2.gz PQKSOOQQPMTWQU-MRXNPFEDSA-N 0 3 349.415 4.094 20 30 EIEDHN N#Cc1cccc(COc2cccc(CNCCC(F)(F)F)c2)c1 ZINC000525195486 1029507557 /nfs/dbraw/zinc/50/75/57/1029507557.db2.gz FESYIMJECNZLDS-UHFFFAOYSA-N 0 3 334.341 4.179 20 30 EIEDHN C=C(C)CN(CC)C(=O)CN1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000248233505 1029534803 /nfs/dbraw/zinc/53/48/03/1029534803.db2.gz LSZLOPFZICYAQN-FQEVSTJZSA-N 0 3 344.499 4.037 20 30 EIEDHN C=CCN(Cc1cccc(C#N)c1)Cc1ccc(O)c2nc(C)ccc12 ZINC000429695074 1029699916 /nfs/dbraw/zinc/69/99/16/1029699916.db2.gz GMROXGURTOHPES-UHFFFAOYSA-N 0 3 343.430 4.309 20 30 EIEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000329734179 1029704693 /nfs/dbraw/zinc/70/46/93/1029704693.db2.gz KCKNFNOCJJHQHU-GASCZTMLSA-N 0 3 343.471 4.404 20 30 EIEDHN CCN(Cc1ccc(C(=O)OC)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000089103753 1030110017 /nfs/dbraw/zinc/11/00/17/1030110017.db2.gz NNRKFAWFSHHNEK-CQSZACIVSA-N 0 3 340.398 4.067 20 30 EIEDHN C=C(C)CN(CC)Cc1ccc(OC)cc1OCc1cccnc1 ZINC000447794775 1030328271 /nfs/dbraw/zinc/32/82/71/1030328271.db2.gz KILLSBZVULQYPL-UHFFFAOYSA-N 0 3 326.440 4.067 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(C)(C)CC)cc2)CC1 ZINC000448123911 1030593017 /nfs/dbraw/zinc/59/30/17/1030593017.db2.gz VNFWRWMMVPGEHF-UHFFFAOYSA-N 0 3 329.488 4.146 20 30 EIEDHN COc1cc(Br)ccc1[C@H](C)NCCC(C)(C)C#N ZINC000527299064 1030620476 /nfs/dbraw/zinc/62/04/76/1030620476.db2.gz FYBCOAGZMANZQN-NSHDSACASA-N 0 3 325.250 4.048 20 30 EIEDHN N#Cc1ccc(OCCNCc2cnc(C3CCCCC3)s2)cc1 ZINC000530735907 1030692132 /nfs/dbraw/zinc/69/21/32/1030692132.db2.gz XPUZQKSAAIVHEZ-UHFFFAOYSA-N 0 3 341.480 4.231 20 30 EIEDHN N#Cc1ccc(C2(NCc3ccc4occc4c3)CCOCC2)cc1 ZINC000527813164 1030856537 /nfs/dbraw/zinc/85/65/37/1030856537.db2.gz WACFLIRJEYYEBD-UHFFFAOYSA-N 0 3 332.403 4.100 20 30 EIEDHN N#CC(C(=O)C[C@@H]1CCC2(CCC2)CO1)c1ccc2ccccc2n1 ZINC000892428374 1030901444 /nfs/dbraw/zinc/90/14/44/1030901444.db2.gz YOYHGXHEMCJRMG-DLBZAZTESA-N 0 3 334.419 4.150 20 30 EIEDHN N#CC(C(=O)Nc1ccc(F)cc1)c1nc2cc(Cl)ccc2s1 ZINC000161406007 1031247434 /nfs/dbraw/zinc/24/74/34/1031247434.db2.gz MJNKIXUTOQDDHM-LBPRGKRZSA-N 0 3 345.786 4.335 20 30 EIEDHN C=CCCCN(C)CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000532571898 1031302496 /nfs/dbraw/zinc/30/24/96/1031302496.db2.gz DRWZGVJLZFMMLJ-HXUWFJFHSA-N 0 3 344.499 4.037 20 30 EIEDHN CCc1ccc(-c2noc([C@H](C)NC3CCC(C)(C#N)CC3)n2)cc1 ZINC000449276466 1031589262 /nfs/dbraw/zinc/58/92/62/1031589262.db2.gz BTKKQZHJPBPEKK-JTOQLSFASA-N 0 3 338.455 4.422 20 30 EIEDHN Cc1cc(-c2noc([C@@H](C)NC3CCC(C)(C#N)CC3)n2)ccc1F ZINC000449279763 1031593577 /nfs/dbraw/zinc/59/35/77/1031593577.db2.gz SRVIBVIRYFPHOO-VZDIAYEVSA-N 0 3 342.418 4.307 20 30 EIEDHN C[C@@H](c1cccs1)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179935643 1031653266 /nfs/dbraw/zinc/65/32/66/1031653266.db2.gz DTLKYWAYOKMZHE-AWEZNQCLSA-N 0 3 336.464 4.213 20 30 EIEDHN COc1ccc(CN2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)cc1C#N ZINC000449365700 1031657544 /nfs/dbraw/zinc/65/75/44/1031657544.db2.gz USORCFGLJCTFHR-SCRDCRAPSA-N 0 3 326.362 4.118 20 30 EIEDHN COCC[C@H](NCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000449553676 1031840811 /nfs/dbraw/zinc/84/08/11/1031840811.db2.gz MLTDQHYEWMAMRU-SFHVURJKSA-N 0 3 348.368 4.444 20 30 EIEDHN CC1(C)C[C@@H](C(=O)C(C#N)c2nc3ccccc3s2)C(C)(C)O1 ZINC000528915834 1031938043 /nfs/dbraw/zinc/93/80/43/1031938043.db2.gz UXTOMCNIPGVXAI-RYUDHWBXSA-N 0 3 328.437 4.066 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000449765772 1031987757 /nfs/dbraw/zinc/98/77/57/1031987757.db2.gz KKYYQLNYWBTDDD-IBGZPJMESA-N 0 3 343.492 4.306 20 30 EIEDHN N#Cc1csc(CN[C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000449790085 1032016992 /nfs/dbraw/zinc/01/69/92/1032016992.db2.gz JOWNDIDSHWXBDV-HIFRSBDPSA-N 0 3 331.872 4.484 20 30 EIEDHN COc1ccc([C@H](OC)[C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512610803 1033493655 /nfs/dbraw/zinc/49/36/55/1033493655.db2.gz FCFKHLOABJQYCA-ARGWCVDVSA-N 0 3 342.414 4.133 20 30 EIEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)Oc1ccccc1Cl ZINC000512624855 1033535930 /nfs/dbraw/zinc/53/59/30/1033535930.db2.gz KNXSVLAVNGRDSF-CHWSQXEVSA-N 0 3 332.806 4.469 20 30 EIEDHN CC[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000512631777 1033556436 /nfs/dbraw/zinc/55/64/36/1033556436.db2.gz SOSCNWFTWATKMY-DZGCQCFKSA-N 0 3 330.378 4.345 20 30 EIEDHN C[C@H](NCC1(c2ccc(F)cc2F)CC1)c1ccc(C#N)cc1F ZINC000512635457 1033572915 /nfs/dbraw/zinc/57/29/15/1033572915.db2.gz HGSAQNPATAMCSG-LBPRGKRZSA-N 0 3 330.353 4.358 20 30 EIEDHN CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)C(C)C ZINC000246541004 1033573642 /nfs/dbraw/zinc/57/36/42/1033573642.db2.gz CQFDBTJRMAKVTG-JKSUJKDBSA-N 0 3 347.528 4.386 20 30 EIEDHN C[C@H](NC[C@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)cc1F ZINC000512642653 1033599291 /nfs/dbraw/zinc/59/92/91/1033599291.db2.gz RHHPJUJRBAXNGX-ORAYPTAESA-N 0 3 345.849 4.304 20 30 EIEDHN N#CCCC[C@@H](NCC(=O)NCCC1CCCCC1)c1ccccc1 ZINC000433013825 1033655481 /nfs/dbraw/zinc/65/54/81/1033655481.db2.gz ZOGICZDTLPTNEW-HXUWFJFHSA-N 0 3 341.499 4.098 20 30 EIEDHN CC1CCC(N(C)C(=O)CN[C@H](CCCC#N)c2ccccc2)CC1 ZINC000433023058 1033680830 /nfs/dbraw/zinc/68/08/30/1033680830.db2.gz ZCNMWMNGJNTGKG-LYBXBRPPSA-N 0 3 341.499 4.048 20 30 EIEDHN CCN(CC)[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccsc1 ZINC000512672789 1033684411 /nfs/dbraw/zinc/68/44/11/1033684411.db2.gz MLSJGNIIHDBQFR-IFXJQAMLSA-N 0 3 345.487 4.493 20 30 EIEDHN C=CCOc1ccccc1CN1CCC(c2ncc(C)s2)CC1 ZINC000433032761 1033702617 /nfs/dbraw/zinc/70/26/17/1033702617.db2.gz NCZIYQKAJJODBF-UHFFFAOYSA-N 0 3 328.481 4.396 20 30 EIEDHN N#CC1(CCN2CCC(NC(=O)C3CCCCC3)CC2)CCCCC1 ZINC000411355142 1033857708 /nfs/dbraw/zinc/85/77/08/1033857708.db2.gz PCPRUTHBNRCCLW-UHFFFAOYSA-N 0 3 345.531 4.011 20 30 EIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000509821190 1034045531 /nfs/dbraw/zinc/04/55/31/1034045531.db2.gz SSCIZNPGEVJMQZ-CQSZACIVSA-N 0 3 340.920 4.181 20 30 EIEDHN C(=NNCCCOc1ccccc1)c1ccccc1N1CCCCC1 ZINC000729149796 1034729014 /nfs/dbraw/zinc/72/90/14/1034729014.db2.gz OZCQCAGPSIGITO-UHFFFAOYSA-N 0 3 337.467 4.070 20 30 EIEDHN COc1ccccc1O[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000513404767 1034919468 /nfs/dbraw/zinc/91/94/68/1034919468.db2.gz ACEMBCZIKHHJGD-LPHOPBHVSA-N 0 3 336.435 4.171 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1C ZINC000419829547 1035422303 /nfs/dbraw/zinc/42/23/03/1035422303.db2.gz DPTOCAURSQBXIZ-CYBMUJFWSA-N 0 3 327.453 4.303 20 30 EIEDHN Cc1ccc(F)c(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000419837595 1035423718 /nfs/dbraw/zinc/42/37/18/1035423718.db2.gz MJVHNVBBVRDYTK-NSHDSACASA-N 0 3 331.416 4.134 20 30 EIEDHN N#Cc1cccc(C2(NCc3coc4ccccc34)CCOCC2)c1 ZINC000594985088 1035515409 /nfs/dbraw/zinc/51/54/09/1035515409.db2.gz WABHZQJVBHAVFQ-UHFFFAOYSA-N 0 3 332.403 4.100 20 30 EIEDHN COc1ccc([C@@H](C)[C@@H](C)NCC2(C#N)CCCCC2)cc1OC ZINC000595092224 1035600064 /nfs/dbraw/zinc/60/00/64/1035600064.db2.gz ZNHCJJRLQVOWLG-JKSUJKDBSA-N 0 3 330.472 4.259 20 30 EIEDHN N#CC[C@@H]1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 ZINC000595610496 1035747806 /nfs/dbraw/zinc/74/78/06/1035747806.db2.gz ZTXAHPZBHIJNKG-IBGZPJMESA-N 0 3 334.463 4.418 20 30 EIEDHN Cc1nc(C(C)C)ccc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595769437 1035779571 /nfs/dbraw/zinc/77/95/71/1035779571.db2.gz RNZGZYMHGYVINO-UHFFFAOYSA-N 0 3 349.478 4.181 20 30 EIEDHN COc1cc(CN2CC3CC2(C)C3)ccc1OCc1cccc(C#N)c1 ZINC000595915188 1035803958 /nfs/dbraw/zinc/80/39/58/1035803958.db2.gz LAHKYLYUMMTRKG-UHFFFAOYSA-N 0 3 348.446 4.130 20 30 EIEDHN CCc1ccc(CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000491146175 1035809512 /nfs/dbraw/zinc/80/95/12/1035809512.db2.gz OKIHGDSGPJPPLM-UHFFFAOYSA-N 0 3 344.462 4.153 20 30 EIEDHN CCSc1cccc(CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000571687898 1036126511 /nfs/dbraw/zinc/12/65/11/1036126511.db2.gz JJXCBKPAVZZZKV-UHFFFAOYSA-N 0 3 340.492 4.319 20 30 EIEDHN N#Cc1ccc(C2=CCN(Cc3cccc(OC(F)F)c3)CC2)cc1 ZINC000502515646 1036302512 /nfs/dbraw/zinc/30/25/12/1036302512.db2.gz KIOBACVDSZTNSI-UHFFFAOYSA-N 0 3 340.373 4.449 20 30 EIEDHN C[C@H](Cc1ccccc1C(F)(F)F)N(C)Cc1ccnc(C#N)c1 ZINC000588210567 1036312698 /nfs/dbraw/zinc/31/26/98/1036312698.db2.gz UTWSNKRIVSRWJA-CYBMUJFWSA-N 0 3 333.357 4.035 20 30 EIEDHN Cc1c(CN[C@H](C)CC2(C#N)CCOCC2)oc2ccc(F)cc12 ZINC000602522885 1036481282 /nfs/dbraw/zinc/48/12/82/1036481282.db2.gz ZNKMRUKIJVHMIZ-CYBMUJFWSA-N 0 3 330.403 4.069 20 30 EIEDHN CC[C@H](C)Oc1cc(C)ccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602565897 1036501072 /nfs/dbraw/zinc/50/10/72/1036501072.db2.gz BDRRPXWWJGDKKD-ROUUACIJSA-N 0 3 344.499 4.361 20 30 EIEDHN C[C@@H](CCC#N)CN(Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000602643349 1036535638 /nfs/dbraw/zinc/53/56/38/1036535638.db2.gz PWGVGUPKFZHXMC-HNNXBMFYSA-N 0 3 330.863 4.016 20 30 EIEDHN C[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1F ZINC000588961674 1036626250 /nfs/dbraw/zinc/62/62/50/1036626250.db2.gz SOGGSCGOTMFGJU-NQBHXWOUSA-N 0 3 325.225 4.321 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000598715852 1036756593 /nfs/dbraw/zinc/75/65/93/1036756593.db2.gz UGGGPYPGGGETIT-RTBURBONSA-N 0 3 342.870 4.320 20 30 EIEDHN CC(C)[C@@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000598996177 1036848573 /nfs/dbraw/zinc/84/85/73/1036848573.db2.gz NBBVDBUHGJRYEH-PMACEKPBSA-N 0 3 330.435 4.180 20 30 EIEDHN CC(C)(CCC#N)CNCc1nc2cc(Br)ccc2o1 ZINC000589820204 1036882538 /nfs/dbraw/zinc/88/25/38/1036882538.db2.gz DOGRUGCTMRLWDO-UHFFFAOYSA-N 0 3 336.233 4.010 20 30 EIEDHN Cc1ccc(CN2CCC(OCCc3ccccc3)CC2)cc1C#N ZINC000599282896 1036933128 /nfs/dbraw/zinc/93/31/28/1036933128.db2.gz OOQRMOUBPITIIR-UHFFFAOYSA-N 0 3 334.463 4.090 20 30 EIEDHN COc1ccccc1C[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000170960605 1036959489 /nfs/dbraw/zinc/95/94/89/1036959489.db2.gz WYCZPQGELBRSPA-ZBFHGGJFSA-N 0 3 348.402 4.282 20 30 EIEDHN Cc1ccc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C#N ZINC000599351084 1036969021 /nfs/dbraw/zinc/96/90/21/1036969021.db2.gz XABSCTNYYIOYBR-HNNXBMFYSA-N 0 3 333.435 4.066 20 30 EIEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000604046889 1037163847 /nfs/dbraw/zinc/16/38/47/1037163847.db2.gz CNWNHJHRNYQJIR-KBPBESRZSA-N 0 3 341.842 4.198 20 30 EIEDHN C=C(C)COc1cccc(NC(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC000591191157 1037321188 /nfs/dbraw/zinc/32/11/88/1037321188.db2.gz DYZVQDOBKKNZKV-IBGZPJMESA-N 0 3 330.472 4.091 20 30 EIEDHN C=C(C)COc1cc(CNCc2ccc(COC)cc2)ccc1OC ZINC000057960750 1037357078 /nfs/dbraw/zinc/35/70/78/1037357078.db2.gz ZWPSPBZBKQWUJS-UHFFFAOYSA-N 0 3 341.451 4.086 20 30 EIEDHN N#CCC1(CNCc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC000592366580 1037776695 /nfs/dbraw/zinc/77/66/95/1037776695.db2.gz CVILUMJVIIQBAN-UHFFFAOYSA-N 0 3 342.389 4.327 20 30 EIEDHN CCOc1ccc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000592974107 1037884360 /nfs/dbraw/zinc/88/43/60/1037884360.db2.gz NWCHIMWFQGSVQU-CQSZACIVSA-N 0 3 340.379 4.324 20 30 EIEDHN C=CCN(CC=C)C(=O)CN(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000607158824 1037975712 /nfs/dbraw/zinc/97/57/12/1037975712.db2.gz FWXHSBGKAIOZGX-SFHVURJKSA-N 0 3 326.484 4.050 20 30 EIEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H]3CC3CCCC3)o2)cc1 ZINC000594054651 1038295457 /nfs/dbraw/zinc/29/54/57/1038295457.db2.gz UYRUWXKLAZIVGF-SFHVURJKSA-N 0 3 336.439 4.153 20 30 EIEDHN C=CCC[C@H](NCc1cc2ccccc2n(C)c1=O)c1ccccc1 ZINC000574582758 1038297533 /nfs/dbraw/zinc/29/75/33/1038297533.db2.gz WDJRMRSSXFJPKK-FQEVSTJZSA-N 0 3 332.447 4.336 20 30 EIEDHN C=CCCCCCN(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000606966324 1038324029 /nfs/dbraw/zinc/32/40/29/1038324029.db2.gz KZVRWDAPPLPZAB-FQEVSTJZSA-N 0 3 343.515 4.211 20 30 EIEDHN CC(C)CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594429541 1038331355 /nfs/dbraw/zinc/33/13/55/1038331355.db2.gz UARUUEWMOLYERC-ZWKOTPCHSA-N 0 3 349.906 4.345 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000594433532 1038333017 /nfs/dbraw/zinc/33/30/17/1038333017.db2.gz GJNLVYOSUXZFRC-ZWKOTPCHSA-N 0 3 347.890 4.099 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000594443397 1038334982 /nfs/dbraw/zinc/33/49/82/1038334982.db2.gz GVKAOWXNRKZWAT-MSOLQXFVSA-N 0 3 347.890 4.195 20 30 EIEDHN CC(C)(C#N)c1ccc(CNCc2ccc(OC(F)F)cc2)cc1 ZINC000594494173 1038342506 /nfs/dbraw/zinc/34/25/06/1038342506.db2.gz VTOIOYBPBOZJHR-UHFFFAOYSA-N 0 3 330.378 4.379 20 30 EIEDHN CC(C)(C#N)c1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000594496799 1038347331 /nfs/dbraw/zinc/34/73/31/1038347331.db2.gz WBVBSPHRCKYEOA-NHCUHLMSSA-N 0 3 334.463 4.498 20 30 EIEDHN COC(=O)c1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000594504563 1038350728 /nfs/dbraw/zinc/35/07/28/1038350728.db2.gz PISAJPMWOXXSBT-VBKZILBWSA-N 0 3 334.419 4.073 20 30 EIEDHN CC(=O)Nc1ccc([C@@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594520084 1038361987 /nfs/dbraw/zinc/36/19/87/1038361987.db2.gz YQUPEBGJUXLILY-OAHLLOKOSA-N 0 3 333.435 4.247 20 30 EIEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594945126 1038518914 /nfs/dbraw/zinc/51/89/14/1038518914.db2.gz MJCHLLMGXWCXOY-HNNXBMFYSA-N 0 3 336.483 4.353 20 30 EIEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000424116830 1038596427 /nfs/dbraw/zinc/59/64/27/1038596427.db2.gz APKILHICJRJLPD-ZWKOTPCHSA-N 0 3 347.890 4.099 20 30 EIEDHN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000173970401 1038803483 /nfs/dbraw/zinc/80/34/83/1038803483.db2.gz CDFYQZVZOMTKFJ-UWWQBHOKSA-N 0 3 334.419 4.313 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cccc(F)c2)ccc1OC ZINC000174091539 1038841071 /nfs/dbraw/zinc/84/10/71/1038841071.db2.gz FCFLFALAPBYAAU-KBXCAEBGSA-N 0 3 342.414 4.366 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cccc(F)c2)ccc1OC ZINC000174091567 1038841508 /nfs/dbraw/zinc/84/15/08/1038841508.db2.gz FCFLFALAPBYAAU-RDTXWAMCSA-N 0 3 342.414 4.366 20 30 EIEDHN N#Cc1ccc(CN2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC000237919665 1038866660 /nfs/dbraw/zinc/86/66/60/1038866660.db2.gz OCZDQCPYMOCFKW-UHFFFAOYSA-N 0 3 325.843 4.288 20 30 EIEDHN C=CCCc1ccccc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000505056426 1038926647 /nfs/dbraw/zinc/92/66/47/1038926647.db2.gz BHFJSIWHIVNJKE-SFTDATJTSA-N 0 3 349.478 4.372 20 30 EIEDHN COc1cc(C#N)ccc1CN[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000481399944 1039374874 /nfs/dbraw/zinc/37/48/74/1039374874.db2.gz BEKFZNVRCDUYQH-DJJJIMSYSA-N 0 3 344.842 4.086 20 30 EIEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(O)cc3)C2)c(C(F)(F)F)c1 ZINC000600214444 1039388112 /nfs/dbraw/zinc/38/81/12/1039388112.db2.gz QHZNARWRKCHAED-OAHLLOKOSA-N 0 3 346.352 4.272 20 30 EIEDHN C=CCCCC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456797515 1039591785 /nfs/dbraw/zinc/59/17/85/1039591785.db2.gz XEPVWBSDLUXKGD-UHFFFAOYSA-N 0 3 336.863 4.108 20 30 EIEDHN C=C(C)[C@H](NCCc1nc2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000481626139 1039657257 /nfs/dbraw/zinc/65/72/57/1039657257.db2.gz LJIRUWDOTRZJKO-FQEVSTJZSA-N 0 3 341.405 4.301 20 30 EIEDHN C=C(C)C[C@@H](C)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000481644595 1039674962 /nfs/dbraw/zinc/67/49/62/1039674962.db2.gz LYDMOEZMQXOVGB-GOSISDBHSA-N 0 3 343.515 4.066 20 30 EIEDHN C=CCOc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000064027855 1039825839 /nfs/dbraw/zinc/82/58/39/1039825839.db2.gz ZDWRLHMXVJSLBA-UHFFFAOYSA-N 0 3 336.435 4.100 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C3CC3)c(C)c2)CC1 ZINC000481905737 1039896614 /nfs/dbraw/zinc/89/66/14/1039896614.db2.gz APVPYWXKYHFZCF-UHFFFAOYSA-N 0 3 327.472 4.034 20 30 EIEDHN CC[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428780812 1040197527 /nfs/dbraw/zinc/19/75/27/1040197527.db2.gz CZSUWDXXQTWVCX-MSOLQXFVSA-N 0 3 341.842 4.211 20 30 EIEDHN N#Cc1ccc(CN2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000514796422 1040236277 /nfs/dbraw/zinc/23/62/77/1040236277.db2.gz PZHCBWBIJOATFU-MRXNPFEDSA-N 0 3 345.368 4.352 20 30 EIEDHN CC(C)c1cccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000479414401 1040336852 /nfs/dbraw/zinc/33/68/52/1040336852.db2.gz CDZUGIIPMUXVGY-UHFFFAOYSA-N 0 3 344.462 4.372 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000425369217 1040354322 /nfs/dbraw/zinc/35/43/22/1040354322.db2.gz ZIXWUEOMZRFIOK-CQSZACIVSA-N 0 3 336.464 4.213 20 30 EIEDHN C[C@@H](NCc1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000539610477 1040607688 /nfs/dbraw/zinc/60/76/88/1040607688.db2.gz YBJDYTDKQPOMFJ-LLVKDONJSA-N 0 3 333.204 4.311 20 30 EIEDHN CC(C)OCc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000483202052 1040760170 /nfs/dbraw/zinc/76/01/70/1040760170.db2.gz QPGNALBGKYMSSW-QGZVFWFLSA-N 0 3 345.402 4.045 20 30 EIEDHN C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000483291738 1040808351 /nfs/dbraw/zinc/80/83/51/1040808351.db2.gz RMAYHVUVVPGXTJ-SCLBCKFNSA-N 0 3 347.384 4.499 20 30 EIEDHN CCCCCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000515549212 1040845797 /nfs/dbraw/zinc/84/57/97/1040845797.db2.gz NNJAIOQMXOEBSE-UHFFFAOYSA-N 0 3 349.906 4.487 20 30 EIEDHN CC[C@H](C)[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000538186959 1041147942 /nfs/dbraw/zinc/14/79/42/1041147942.db2.gz DJPQVVARSFDIIE-YZVOILCLSA-N 0 3 349.906 4.025 20 30 EIEDHN CCC(CC)[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000540375147 1041410159 /nfs/dbraw/zinc/41/01/59/1041410159.db2.gz WPIDSOBVMJWGKA-GOSISDBHSA-N 0 3 347.528 4.158 20 30 EIEDHN CC[C@H](CNCc1ccc(C#N)o1)Oc1ccccc1C(F)(F)F ZINC000540611186 1041564350 /nfs/dbraw/zinc/56/43/50/1041564350.db2.gz DGVDTWRQIKLKNC-GFCCVEGCSA-N 0 3 338.329 4.117 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000517379999 1041983859 /nfs/dbraw/zinc/98/38/59/1041983859.db2.gz QTGYCWVCGILBGO-UHFFFAOYSA-N 0 3 342.270 4.074 20 30 EIEDHN CC(C)C[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1cccs1 ZINC000541627646 1042045204 /nfs/dbraw/zinc/04/52/04/1042045204.db2.gz UPGWHYLXVSBZJG-PBHICJAKSA-N 0 3 341.480 4.324 20 30 EIEDHN CN(Cc1cccc(C#N)c1F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541700910 1042076724 /nfs/dbraw/zinc/07/67/24/1042076724.db2.gz GWZPBSAZWKIKSP-MOPGFXCFSA-N 0 3 342.389 4.189 20 30 EIEDHN COc1ccc(C#N)cc1CN1CC[C@@H](CSc2ccccc2)C1 ZINC000438191014 1042082719 /nfs/dbraw/zinc/08/27/19/1042082719.db2.gz PDEOASBTZQQHSR-QGZVFWFLSA-N 0 3 338.476 4.181 20 30 EIEDHN N#Cc1ccc(CN(Cc2cccc(OC(F)F)c2)C2CC2)cc1 ZINC000506552249 1042591018 /nfs/dbraw/zinc/59/10/18/1042591018.db2.gz DLUIIZPVHZFVQQ-UHFFFAOYSA-N 0 3 328.362 4.324 20 30 EIEDHN N#Cc1ccc(Br)c(CN2CC[C@H](c3ccccc3)C2)c1 ZINC000492651071 1042715404 /nfs/dbraw/zinc/71/54/04/1042715404.db2.gz JIZLYCIHCKMUPE-INIZCTEOSA-N 0 3 341.252 4.310 20 30 EIEDHN COC[C@H](C)Oc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000597160202 1042834401 /nfs/dbraw/zinc/83/44/01/1042834401.db2.gz KNXVXXIAFIDZTD-DLBZAZTESA-N 0 3 338.451 4.165 20 30 EIEDHN COc1ccc([C@@H](C)NCc2cccc(OCCCC#N)c2)cc1F ZINC000237195143 1042902126 /nfs/dbraw/zinc/90/21/26/1042902126.db2.gz VQRIBDJCRWIIIT-OAHLLOKOSA-N 0 3 342.414 4.368 20 30 EIEDHN COc1ccc(CN2CCC(CCC#N)CC2)cc1OCC(C)C ZINC000520584293 1042904746 /nfs/dbraw/zinc/90/47/46/1042904746.db2.gz PCNJCQSYAPFZJF-UHFFFAOYSA-N 0 3 330.472 4.246 20 30 EIEDHN N#Cc1ccc2ncc(CN(C3CC3)[C@@H]3CCCc4ccccc43)n2c1 ZINC000507995640 1043230985 /nfs/dbraw/zinc/23/09/85/1043230985.db2.gz VFOPFONDJIBZPV-OAQYLSRUSA-N 0 3 342.446 4.248 20 30 EIEDHN N#Cc1cccc(CN[C@@H]2CCCc3cc(OC(F)F)ccc32)c1 ZINC000058477578 1043257698 /nfs/dbraw/zinc/25/76/98/1043257698.db2.gz VQUYBKIDTNZVFH-GOSISDBHSA-N 0 3 328.362 4.327 20 30 EIEDHN COCc1cc([C@H](C)NC2(c3cccc(C#N)c3)CC2)ccc1OC ZINC000272184368 1043400840 /nfs/dbraw/zinc/40/08/40/1043400840.db2.gz GFOCJVKVSQHFBS-HNNXBMFYSA-N 0 3 336.435 4.053 20 30 EIEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc3ccccc3c2)CC1 ZINC000729942814 1043410804 /nfs/dbraw/zinc/41/08/04/1043410804.db2.gz SWDVHVJOUUJGKN-UHFFFAOYSA-N 0 3 339.508 4.167 20 30 EIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccccn2)cc1 ZINC000065950262 1043516095 /nfs/dbraw/zinc/51/60/95/1043516095.db2.gz NNCTZNKTPDQIPJ-UHFFFAOYSA-N 0 3 343.430 4.164 20 30 EIEDHN CC(C)[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000010137116 1043732535 /nfs/dbraw/zinc/73/25/35/1043732535.db2.gz PKJPCCHDDVBCGD-LJQANCHMSA-N 0 3 341.842 4.137 20 30 EIEDHN Cc1nc(F)ccc1CNCc1cccc(-c2ccc(C#N)s2)c1 ZINC000785473812 1043773387 /nfs/dbraw/zinc/77/33/87/1043773387.db2.gz GNYOFUNCKKNMFU-UHFFFAOYSA-N 0 3 337.423 4.419 20 30 EIEDHN N#Cc1cccc(OCC[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731848061 1043833926 /nfs/dbraw/zinc/83/39/26/1043833926.db2.gz QBAIMXDUHJBYBX-UHFFFAOYSA-N 0 3 336.435 4.087 20 30 EIEDHN N#Cc1cccc(OCC[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731848061 1043833928 /nfs/dbraw/zinc/83/39/28/1043833928.db2.gz QBAIMXDUHJBYBX-UHFFFAOYSA-N 0 3 336.435 4.087 20 30 EIEDHN CCCCc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000682995413 1043886403 /nfs/dbraw/zinc/88/64/03/1043886403.db2.gz VFBBWDCRRFSLHE-KRWDZBQOSA-N 0 3 329.403 4.462 20 30 EIEDHN C[C@H](CSc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000732496473 1043928666 /nfs/dbraw/zinc/92/86/66/1043928666.db2.gz WOEQTLQXIXIVJV-HIFRSBDPSA-N 0 3 336.416 4.432 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(C#Cc3ccccc3)cc2)n1 ZINC000642281717 1043984757 /nfs/dbraw/zinc/98/47/57/1043984757.db2.gz DGDFZBKQSVCXEA-IBGZPJMESA-N 0 3 342.423 4.341 20 30 EIEDHN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)c3ccc(C#N)cc3)ccc2NC1=O ZINC000245678906 1044073574 /nfs/dbraw/zinc/07/35/74/1044073574.db2.gz GFXWCTDKZQHLHV-LPMFXHHGSA-N 0 3 349.434 4.080 20 30 EIEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000733324170 1044182799 /nfs/dbraw/zinc/18/27/99/1044182799.db2.gz LEDLNLVBTPZLFH-AWEZNQCLSA-N 0 3 349.352 4.448 20 30 EIEDHN C[C@H](NC[C@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1Cl ZINC001168758355 1044366017 /nfs/dbraw/zinc/36/60/17/1044366017.db2.gz QDBGEBHMCVIUIU-ZBEGNZNMSA-N 0 3 335.234 4.249 20 30 EIEDHN COc1cccc(NC2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000118399494 1044667546 /nfs/dbraw/zinc/66/75/46/1044667546.db2.gz XFNPUQURXHJCFE-INIZCTEOSA-N 0 3 335.451 4.204 20 30 EIEDHN CN(CC#Cc1ccc(F)cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000676556605 1044789375 /nfs/dbraw/zinc/78/93/75/1044789375.db2.gz SONSAMUCQWNXQV-IRLDBZIGSA-N 0 3 337.438 4.277 20 30 EIEDHN CN(CCCc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735308859 1044799004 /nfs/dbraw/zinc/79/90/04/1044799004.db2.gz WKRRUJOHHAJALF-UHFFFAOYSA-N 0 3 328.843 4.307 20 30 EIEDHN CSC[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000429293406 1044899069 /nfs/dbraw/zinc/89/90/69/1044899069.db2.gz NEECPWZGIJUGRI-HNNXBMFYSA-N 0 3 343.414 4.012 20 30 EIEDHN CC(C)C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000542555428 1044964281 /nfs/dbraw/zinc/96/42/81/1044964281.db2.gz RWWOUTDGYIPZEH-WMLDXEAASA-N 0 3 341.480 4.324 20 30 EIEDHN Cc1cc(CN2CCSCC2)ccc1NCc1cc(C#N)cs1 ZINC000125398517 1044990253 /nfs/dbraw/zinc/99/02/53/1044990253.db2.gz ATBONHFRVGQOSO-UHFFFAOYSA-N 0 3 343.521 4.089 20 30 EIEDHN Cc1ccc(CN2CCSCC2)cc1NCc1cccc(C#N)c1 ZINC000125410346 1044992508 /nfs/dbraw/zinc/99/25/08/1044992508.db2.gz DGWVOCGYFYCXPC-UHFFFAOYSA-N 0 3 337.492 4.028 20 30 EIEDHN C=CCC1([NH2+]Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCCCC1 ZINC000625935921 1045042830 /nfs/dbraw/zinc/04/28/30/1045042830.db2.gz SEIIGFAHPKVZCH-UHFFFAOYSA-N 0 3 337.423 4.450 20 30 EIEDHN CCCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H](CC)c1ccccc1 ZINC000303657021 1045049007 /nfs/dbraw/zinc/04/90/07/1045049007.db2.gz VOTAIRGRXQBICO-TZIWHRDSSA-N 0 3 343.515 4.294 20 30 EIEDHN Cc1cc(C)cc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000611252155 1045264796 /nfs/dbraw/zinc/26/47/96/1045264796.db2.gz RFSJDPPNVRHQNP-CQSZACIVSA-N 0 3 339.395 4.298 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000611252169 1045264877 /nfs/dbraw/zinc/26/48/77/1045264877.db2.gz WZCNTAWKZSXSKJ-CQSZACIVSA-N 0 3 339.395 4.244 20 30 EIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1CCOc2ccccc21 ZINC000611276539 1045273671 /nfs/dbraw/zinc/27/36/71/1045273671.db2.gz JCSVSKRXDQAIJS-CEWLAPEOSA-N 0 3 332.447 4.324 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(OCC(F)F)c1 ZINC000611394101 1045299544 /nfs/dbraw/zinc/29/95/44/1045299544.db2.gz GSXJIIZYWVQRSK-LJQANCHMSA-N 0 3 342.389 4.369 20 30 EIEDHN C=CCOc1ccccc1CNC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000237635110 1045390934 /nfs/dbraw/zinc/39/09/34/1045390934.db2.gz ROIPVSBDRSCLEJ-IBGZPJMESA-N 0 3 340.467 4.080 20 30 EIEDHN C=CCN1CCC(NC(=O)c2oc3c(ccc4ccccc34)c2C)CC1 ZINC000171722903 1045408733 /nfs/dbraw/zinc/40/87/33/1045408733.db2.gz UMQJGYQFZCWDCL-UHFFFAOYSA-N 0 3 348.446 4.275 20 30 EIEDHN CCCCCCCCC(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000763135473 1045534245 /nfs/dbraw/zinc/53/42/45/1045534245.db2.gz BJTWHVLUPDAEHC-UHFFFAOYSA-N 0 3 346.515 4.332 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN(C)CCOc2ccc(Cl)cc2)cc1 ZINC000768173770 1045736608 /nfs/dbraw/zinc/73/66/08/1045736608.db2.gz DWNBCZXPDMRPJL-HNNXBMFYSA-N 0 3 344.842 4.142 20 30 EIEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccs1 ZINC000130438763 1045763171 /nfs/dbraw/zinc/76/31/71/1045763171.db2.gz IFLKQZJTYVUVPF-NSHDSACASA-N 0 3 339.203 4.016 20 30 EIEDHN CC(C)N(CCCCC#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000071016270 1045771157 /nfs/dbraw/zinc/77/11/57/1045771157.db2.gz SOKNRQBKSKAMKM-UHFFFAOYSA-N 0 3 341.377 4.048 20 30 EIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Br)c(F)c1 ZINC000768507366 1045813117 /nfs/dbraw/zinc/81/31/17/1045813117.db2.gz GVWPDCKARKQBCV-LLVKDONJSA-N 0 3 333.204 4.311 20 30 EIEDHN N#CC(C(=O)CCCOc1ccc(F)cc1)c1nccc2ccccc21 ZINC000792100195 1045856734 /nfs/dbraw/zinc/85/67/34/1045856734.db2.gz KSQRDQJPDGRYTD-IBGZPJMESA-N 0 3 348.377 4.409 20 30 EIEDHN N#CC(C(=O)CCCOc1cccc(F)c1)c1nccc2ccccc21 ZINC000792105677 1045857649 /nfs/dbraw/zinc/85/76/49/1045857649.db2.gz WRYLOJYNBVGOTR-LJQANCHMSA-N 0 3 348.377 4.409 20 30 EIEDHN N#CC1(c2ccccc2)CCC(NCc2c(F)cccc2F)CC1 ZINC001170355467 1046011932 /nfs/dbraw/zinc/01/19/32/1046011932.db2.gz GETMVWLMGXIHLG-UHFFFAOYSA-N 0 3 326.390 4.459 20 30 EIEDHN C=CCSc1nc2ccccc2n1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000793522430 1046265855 /nfs/dbraw/zinc/26/58/55/1046265855.db2.gz PVTVIGOUXJRQMI-WBVHZDCISA-N 0 3 349.450 4.249 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2ccc(Cl)cc2)c([O-])c1 ZINC000793667226 1046323052 /nfs/dbraw/zinc/32/30/52/1046323052.db2.gz IFLPOBSKEHQDKB-MRUVXERFSA-N 0 3 346.858 4.044 20 30 EIEDHN N#CC(C(=O)c1coc(Br)c1)c1ccc2ccccc2n1 ZINC000916848745 1046375525 /nfs/dbraw/zinc/37/55/25/1046375525.db2.gz PIKPNMLNJLSJJF-LBPRGKRZSA-N 0 3 341.164 4.080 20 30 EIEDHN C=CC[C@H](N[C@@H](C)c1sc(CCOC)nc1C)c1ccncc1 ZINC000771392092 1046395245 /nfs/dbraw/zinc/39/52/45/1046395245.db2.gz TWRDQSNCVYWKKF-BBRMVZONSA-N 0 3 331.485 4.003 20 30 EIEDHN CCCCCCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000916903564 1046430757 /nfs/dbraw/zinc/43/07/57/1046430757.db2.gz PHZDFEFVSGKXHF-KRWDZBQOSA-N 0 3 328.456 4.429 20 30 EIEDHN N#CC(C(=O)CCCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000916909416 1046456633 /nfs/dbraw/zinc/45/66/33/1046456633.db2.gz AYWOXCQXGDIWOF-OAHLLOKOSA-N 0 3 340.810 4.010 20 30 EIEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000916907118 1046456857 /nfs/dbraw/zinc/45/68/57/1046456857.db2.gz UQEOLYOQIQSZLD-ZFWWWQNUSA-N 0 3 340.810 4.181 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC2CCCCC2)cc1 ZINC000916909958 1046456943 /nfs/dbraw/zinc/45/69/43/1046456943.db2.gz MFOOUOXDENBMQR-SFHVURJKSA-N 0 3 326.440 4.257 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC(C)(F)F)cc1 ZINC000916948284 1046492052 /nfs/dbraw/zinc/49/20/52/1046492052.db2.gz FZVVFZNKLKWDSJ-DOMZBBRYSA-N 0 3 336.382 4.283 20 30 EIEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000917001396 1046550586 /nfs/dbraw/zinc/55/05/86/1046550586.db2.gz QARWXHMVGNHQAD-GOSISDBHSA-N 0 3 335.369 4.427 20 30 EIEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000917000941 1046551928 /nfs/dbraw/zinc/55/19/28/1046551928.db2.gz DMAFWILKNZTTAT-SFHVURJKSA-N 0 3 335.369 4.427 20 30 EIEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080459579 1046619480 /nfs/dbraw/zinc/61/94/80/1046619480.db2.gz QTTVQLYMGCPANO-HNNXBMFYSA-N 0 3 326.421 4.321 20 30 EIEDHN N#Cc1ccc2ncc(CN3CCCC[C@@H]3CCc3ccccc3)n2c1 ZINC000536672834 1046658504 /nfs/dbraw/zinc/65/85/04/1046658504.db2.gz ROVXQPNFQQHRSJ-HXUWFJFHSA-N 0 3 344.462 4.193 20 30 EIEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCCCC1 ZINC000917097332 1046691511 /nfs/dbraw/zinc/69/15/11/1046691511.db2.gz NLHQHNCLPHVTBX-OAHLLOKOSA-N 0 3 341.480 4.127 20 30 EIEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)c2ccccc21 ZINC000917116404 1046739651 /nfs/dbraw/zinc/73/96/51/1046739651.db2.gz PADPXANEDCDLHQ-UKRRQHHQSA-N 0 3 347.443 4.096 20 30 EIEDHN CC(C)(C#N)CCCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785711418 1046741280 /nfs/dbraw/zinc/74/12/80/1046741280.db2.gz BUUOQPFCCUATOX-UHFFFAOYSA-N 0 3 328.456 4.159 20 30 EIEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000497384302 1046768957 /nfs/dbraw/zinc/76/89/57/1046768957.db2.gz GXWZHVZNZOHFNR-HXUWFJFHSA-N 0 3 341.499 4.000 20 30 EIEDHN N#Cc1cnn2cc(CN[C@@H](c3ccccc3)C3CCCCC3)cnc12 ZINC000917139728 1046772345 /nfs/dbraw/zinc/77/23/45/1046772345.db2.gz DFHYPLIFZUWXIG-FQEVSTJZSA-N 0 3 345.450 4.012 20 30 EIEDHN Cc1cccc(NC(=O)C[C@@H](C)N[C@H](CCC#N)c2ccccc2)c1 ZINC000536840579 1046813505 /nfs/dbraw/zinc/81/35/05/1046813505.db2.gz UOMRFJSHUZYPTD-YLJYHZDGSA-N 0 3 335.451 4.347 20 30 EIEDHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCC(C)(C)CC#N ZINC000459683525 1046841940 /nfs/dbraw/zinc/84/19/40/1046841940.db2.gz BBXRHCMWBJMMDR-UHFFFAOYSA-N 0 3 344.890 4.231 20 30 EIEDHN Cc1ccc2[nH]c([C@@H]3CCCN(CC#Cc4ccc(F)cc4)C3)nc2c1 ZINC000537017607 1046889860 /nfs/dbraw/zinc/88/98/60/1046889860.db2.gz HDAAMOKYWAWMFE-GOSISDBHSA-N 0 3 347.437 4.242 20 30 EIEDHN Cc1ccc2nc([C@@H]3CCCN(CC#Cc4ccc(F)cc4)C3)[nH]c2c1 ZINC000537017607 1046889865 /nfs/dbraw/zinc/88/98/65/1046889865.db2.gz HDAAMOKYWAWMFE-GOSISDBHSA-N 0 3 347.437 4.242 20 30 EIEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000537114755 1046966756 /nfs/dbraw/zinc/96/67/56/1046966756.db2.gz GSFDLTJVANEJMA-HUUCEWRRSA-N 0 3 342.870 4.348 20 30 EIEDHN C[C@H]1c2ccccc2CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000746669064 1046982903 /nfs/dbraw/zinc/98/29/03/1046982903.db2.gz CONHDCIAHKNVQJ-BBRMVZONSA-N 0 3 347.443 4.049 20 30 EIEDHN CN(C)[C@@H](C/N=C/c1c(O)ccc2ccccc21)c1ccc(F)cc1 ZINC000917557240 1046994189 /nfs/dbraw/zinc/99/41/89/1046994189.db2.gz CDQBYPMRADIAKM-IYHCKTHZSA-N 0 3 336.410 4.406 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806146304 1047170132 /nfs/dbraw/zinc/17/01/32/1047170132.db2.gz MWVQTFOVUOWNHN-PBHICJAKSA-N 0 3 341.842 4.193 20 30 EIEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(-n2cccn2)cc1 ZINC000537406918 1047199533 /nfs/dbraw/zinc/19/95/33/1047199533.db2.gz KTSPUIJNZBTUFA-GJZGRUSLSA-N 0 3 334.398 4.295 20 30 EIEDHN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)c1ccc(C#N)c(F)c1 ZINC000537408096 1047199989 /nfs/dbraw/zinc/19/99/89/1047199989.db2.gz VOICOIALQCSHKA-HUUCEWRRSA-N 0 3 334.398 4.295 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000788641295 1047257166 /nfs/dbraw/zinc/25/71/66/1047257166.db2.gz CQDWWWZTSZVLTN-OXQOHEQNSA-N 0 3 336.435 4.240 20 30 EIEDHN CC(C)(C#N)CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000325553742 1047259286 /nfs/dbraw/zinc/25/92/86/1047259286.db2.gz LWTBMOYBWZMXSJ-UHFFFAOYSA-N 0 3 339.405 4.157 20 30 EIEDHN CN(C)[C@H](C/N=C\c1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000746816226 1047428318 /nfs/dbraw/zinc/42/83/18/1047428318.db2.gz OOZQGHHHTJRPLL-HSGPEQJXSA-N 0 3 337.250 4.421 20 30 EIEDHN CC[C@H](N[C@H](CCC(=O)OC)c1ccccc1)c1ccc(C#N)cc1 ZINC000556078430 1047436004 /nfs/dbraw/zinc/43/60/04/1047436004.db2.gz LQMPEVQAWZEYCD-VQTJNVASSA-N 0 3 336.435 4.293 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CC(c3ccc(Cl)cc3)C2)cc1 ZINC000824988169 1048018112 /nfs/dbraw/zinc/01/81/12/1048018112.db2.gz HSPFOCPUHNUTTQ-CQSZACIVSA-N 0 3 326.827 4.230 20 30 EIEDHN C[C@H](c1ccc(F)c(Cl)c1)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369967 1048295681 /nfs/dbraw/zinc/29/56/81/1048295681.db2.gz PBANUFPJFKXMSN-KZULUSFZSA-N 0 3 332.806 4.077 20 30 EIEDHN CC(C)[C@@H](NCc1ccc(C#N)cc1Cl)[C@H](O)c1ccccc1 ZINC000844326515 1048295702 /nfs/dbraw/zinc/29/57/02/1048295702.db2.gz GQNIWRQEMYJKDX-RTBURBONSA-N 0 3 328.843 4.059 20 30 EIEDHN C#Cc1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000809568053 1048404813 /nfs/dbraw/zinc/40/48/13/1048404813.db2.gz DVSONKFSKVBFOH-UHFFFAOYSA-N 0 3 343.430 4.098 20 30 EIEDHN C#Cc1ccc(CN[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000809609182 1048419230 /nfs/dbraw/zinc/41/92/30/1048419230.db2.gz GCKFXZWSLYBFIE-CQSZACIVSA-N 0 3 333.353 4.460 20 30 EIEDHN C#Cc1ccc(CNc2cccc(CN3CCSCC3)c2C)cc1 ZINC000809600354 1048434071 /nfs/dbraw/zinc/43/40/71/1048434071.db2.gz SFEMVIJBDZJWGB-UHFFFAOYSA-N 0 3 336.504 4.137 20 30 EIEDHN C#C[C@H](CC)NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000809685917 1048473481 /nfs/dbraw/zinc/47/34/81/1048473481.db2.gz ZLHCSXOOUPCHNK-QGZVFWFLSA-N 0 3 326.827 4.094 20 30 EIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000815650669 1048575386 /nfs/dbraw/zinc/57/53/86/1048575386.db2.gz YIOIOGOKHIGUJN-ZDUSSCGKSA-N 0 3 349.352 4.290 20 30 EIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810132015 1048640751 /nfs/dbraw/zinc/64/07/51/1048640751.db2.gz HWIMFKYAVBFVQV-KRWDZBQOSA-N 0 3 347.462 4.120 20 30 EIEDHN CCO[C@@H](C(=O)C(C#N)c1ccc2ccccc2n1)c1ccccc1 ZINC000920324956 1048647702 /nfs/dbraw/zinc/64/77/02/1048647702.db2.gz SJMFHGJIIXWWOI-DYESRHJHSA-N 0 3 330.387 4.189 20 30 EIEDHN C#CCN(Cc1c[nH]c2nc(Cl)ccc12)[C@@H]1CCc2ccccc21 ZINC001144416118 1048651102 /nfs/dbraw/zinc/65/11/02/1048651102.db2.gz XWKRROJCQMRKJE-GOSISDBHSA-N 0 3 335.838 4.339 20 30 EIEDHN N=C(Nc1ccc(Br)cc1)c1ccc2cc(O)ccc2c1 ZINC001171184614 1048676166 /nfs/dbraw/zinc/67/61/66/1048676166.db2.gz NTOCQXCSDLFQET-UHFFFAOYSA-N 0 3 341.208 4.345 20 30 EIEDHN N=C(Nc1ccc(C2=CCOCC2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171184611 1048676396 /nfs/dbraw/zinc/67/63/96/1048676396.db2.gz NSOAEFVFHRCNFN-UHFFFAOYSA-N 0 3 344.414 4.386 20 30 EIEDHN C=CCc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)cc(OC)c1OC ZINC000810224706 1048692757 /nfs/dbraw/zinc/69/27/57/1048692757.db2.gz KKUDFWVXLOBZTI-HXUWFJFHSA-N 0 3 348.446 4.081 20 30 EIEDHN COc1ccc(CN2CCC(S)CC2)cc1OCc1ccccc1 ZINC001144498587 1048700388 /nfs/dbraw/zinc/70/03/88/1048700388.db2.gz SUILRAFUVBOZJW-UHFFFAOYSA-N 0 3 343.492 4.168 20 30 EIEDHN N#CC(C(=O)CCCc1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000810520610 1048806215 /nfs/dbraw/zinc/80/62/15/1048806215.db2.gz YPMQCVAMOBFRGS-CQSZACIVSA-N 0 3 337.810 4.415 20 30 EIEDHN C#CCCOc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000816631671 1048851552 /nfs/dbraw/zinc/85/15/52/1048851552.db2.gz ZTEUSUYGFOARDA-QFIPXVFZSA-N 0 3 349.474 4.082 20 30 EIEDHN CN(C)C1(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCC1 ZINC001144832822 1048866100 /nfs/dbraw/zinc/86/61/00/1048866100.db2.gz GVADYNCKQDFJFI-UHFFFAOYSA-N 0 3 349.434 4.163 20 30 EIEDHN CC(C)(CCC#N)CN[C@H](c1nc(Br)cs1)C1CC1 ZINC000817585450 1049014728 /nfs/dbraw/zinc/01/47/28/1049014728.db2.gz MQKSBSUIGAMUBW-LBPRGKRZSA-N 0 3 342.306 4.276 20 30 EIEDHN CN(C)/C=N/c1ccc(N[C@@H](c2ccccc2)C(F)(F)F)cc1C#N ZINC001170884199 1049076947 /nfs/dbraw/zinc/07/69/47/1049076947.db2.gz XGLUJQBDXLPWKL-FZJZADEZSA-N 0 3 346.356 4.495 20 30 EIEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000818346388 1049127035 /nfs/dbraw/zinc/12/70/35/1049127035.db2.gz DRMFNZXPIUVEHE-DWLFOUALSA-N 0 3 337.463 4.247 20 30 EIEDHN CCC[C@@H](NCc1ccc(OC)c(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000773076722 1049566022 /nfs/dbraw/zinc/56/60/22/1049566022.db2.gz OPGHIYPJCZYATM-GOSISDBHSA-N 0 3 339.395 4.106 20 30 EIEDHN C#C[C@H](N[C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000812791938 1049588955 /nfs/dbraw/zinc/58/89/55/1049588955.db2.gz DURBEAPTATXNKQ-VCBZYWHSSA-N 0 3 341.426 4.299 20 30 EIEDHN Cc1c(CNCc2ccc(O[C@H](C)C#N)cc2)oc2ccc(F)cc12 ZINC000237601976 1049650234 /nfs/dbraw/zinc/65/02/34/1049650234.db2.gz CMTXXOGVINMXCO-CYBMUJFWSA-N 0 3 338.382 4.461 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCCC2CC2)cc1 ZINC000813060400 1049667420 /nfs/dbraw/zinc/66/74/20/1049667420.db2.gz YLPMCRVPZSIYRC-SFHVURJKSA-N 0 3 326.440 4.257 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCC2CC2)cc1 ZINC000813060219 1049667870 /nfs/dbraw/zinc/66/78/70/1049667870.db2.gz SQSRXFDVJJGLLG-KDOFPFPSSA-N 0 3 326.440 4.428 20 30 EIEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000237705545 1049707429 /nfs/dbraw/zinc/70/74/29/1049707429.db2.gz LSKBBYAKVTUAFQ-UONOGXRCSA-N 0 3 346.377 4.430 20 30 EIEDHN Cc1cccc(O[C@H](C)C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000813215734 1049710084 /nfs/dbraw/zinc/71/00/84/1049710084.db2.gz JXHQLBLWIJGJMX-DOMZBBRYSA-N 0 3 348.324 4.053 20 30 EIEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@H](CC)c2ccc(Cl)cc2)C1 ZINC001171842147 1049812535 /nfs/dbraw/zinc/81/25/35/1049812535.db2.gz ZLASBTWCSJZVAS-CRAIPNDOSA-N 0 3 334.891 4.195 20 30 EIEDHN Cc1ccc2c(CN(C)[C@@H](C)c3cccc(C#N)c3)cc(=O)oc2c1C ZINC000823616921 1049863538 /nfs/dbraw/zinc/86/35/38/1049863538.db2.gz DRKAFCQBBYIDCA-INIZCTEOSA-N 0 3 346.430 4.475 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H](c1ncccc1Cl)C1CC1 ZINC001172304018 1049873990 /nfs/dbraw/zinc/87/39/90/1049873990.db2.gz GZQVTVMFCPYWPP-ACJLOTCBSA-N 0 3 325.843 4.279 20 30 EIEDHN C[C@@H](CCCC#N)N[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC001172490625 1049920694 /nfs/dbraw/zinc/92/06/94/1049920694.db2.gz JGAQMXVDNPAIIR-JXFKEZNVSA-N 0 3 332.451 4.335 20 30 EIEDHN C[C@H](CCCC#N)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001172500028 1049923066 /nfs/dbraw/zinc/92/30/66/1049923066.db2.gz IRYHDLPCLQGWDI-CYBMUJFWSA-N 0 3 326.271 4.198 20 30 EIEDHN CCCCCCC[C@@H](CCC)N1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001172510464 1049925259 /nfs/dbraw/zinc/92/52/59/1049925259.db2.gz CJRWBDAXBBSQCL-MKXGPGLRSA-N 0 3 339.520 4.168 20 30 EIEDHN CCC[C@@H]1CN(c2cc(F)ccc2C#N)CCN1Cc1ccccc1 ZINC001185931297 1050197557 /nfs/dbraw/zinc/19/75/57/1050197557.db2.gz TWGJKBLSBJXXEP-HXUWFJFHSA-N 0 3 337.442 4.188 20 30 EIEDHN C[C@@H](CSc1ccc(Cl)cc1)N1CCC2SC(=O)C=C2C1 ZINC001172875736 1050216568 /nfs/dbraw/zinc/21/65/68/1050216568.db2.gz AYOQQYOQDGPWQO-XHDPSFHLSA-N 0 3 339.913 4.095 20 30 EIEDHN C[C@@H](CSc1ccc(Cl)cc1)N1CC[C@H]2SC(=O)C=C2C1 ZINC001172875736 1050216582 /nfs/dbraw/zinc/21/65/82/1050216582.db2.gz AYOQQYOQDGPWQO-XHDPSFHLSA-N 0 3 339.913 4.095 20 30 EIEDHN N#CC(Cc1cccs1)C(=O)N(c1ccccc1)c1ccccc1N ZINC001177911231 1050324912 /nfs/dbraw/zinc/32/49/12/1050324912.db2.gz DKZUEZVJYJVQQJ-HNNXBMFYSA-N 0 3 347.443 4.377 20 30 EIEDHN C=CCOC1CCC(N2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001173322224 1050414519 /nfs/dbraw/zinc/41/45/19/1050414519.db2.gz ZCIPDSMAIYQBLE-QETWGEEDSA-N 0 3 336.479 4.407 20 30 EIEDHN N#CCC1CCC(NCC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001173330596 1050420270 /nfs/dbraw/zinc/42/02/70/1050420270.db2.gz TVPGLJPOMGDMCZ-UHFFFAOYSA-N 0 3 325.239 4.238 20 30 EIEDHN C[C@@]1(c2ccc(Cl)cc2)CN(C2CCC(CC#N)CC2)CCO1 ZINC001173337519 1050427202 /nfs/dbraw/zinc/42/72/02/1050427202.db2.gz MZXRJZFYOHCCJM-PPSBMQLTSA-N 0 3 332.875 4.360 20 30 EIEDHN N#CCC1CCC(N2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001173339551 1050428436 /nfs/dbraw/zinc/42/84/36/1050428436.db2.gz ONETZNUIFUTYHW-UHFFFAOYSA-N 0 3 325.431 4.155 20 30 EIEDHN COc1ccc(-c2nc(CNC3CCC(C)(C#N)CC3)cs2)cc1 ZINC001173586052 1050492779 /nfs/dbraw/zinc/49/27/79/1050492779.db2.gz FUAJJNMOKLARFY-UHFFFAOYSA-N 0 3 341.480 4.381 20 30 EIEDHN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cc(Cl)c1OC ZINC000618743114 1050503467 /nfs/dbraw/zinc/50/34/67/1050503467.db2.gz XDPUGMKPRSRTFJ-KRWDZBQOSA-N 0 3 342.826 4.006 20 30 EIEDHN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1OC(C)C ZINC000618742136 1050503996 /nfs/dbraw/zinc/50/39/96/1050503996.db2.gz JZRRHNZADFCPJF-IBGZPJMESA-N 0 3 336.435 4.131 20 30 EIEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000618802754 1050519464 /nfs/dbraw/zinc/51/94/64/1050519464.db2.gz FPWCDPSCXDGGLT-IFXJQAMLSA-N 0 3 334.419 4.058 20 30 EIEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000618805102 1050532891 /nfs/dbraw/zinc/53/28/91/1050532891.db2.gz CXTYONXIIPFDST-BFUOFWGJSA-N 0 3 345.446 4.126 20 30 EIEDHN N#CC1(CN[C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173708603 1050550320 /nfs/dbraw/zinc/55/03/20/1050550320.db2.gz SIAGTKDSVFFWPA-HXUWFJFHSA-N 0 3 332.447 4.016 20 30 EIEDHN CC1(C)C[C@H](N[C@H]2CCc3cc(C#N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000618988312 1050621312 /nfs/dbraw/zinc/62/13/12/1050621312.db2.gz PILCPRGIAALSPN-PMACEKPBSA-N 0 3 347.418 4.466 20 30 EIEDHN CN1Cc2ccccc2[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508616 1050797354 /nfs/dbraw/zinc/79/73/54/1050797354.db2.gz PGPWIOOSJWHAQR-FGZHOGPDSA-N 0 3 331.463 4.102 20 30 EIEDHN CC(=O)Nc1ccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619754815 1050883055 /nfs/dbraw/zinc/88/30/55/1050883055.db2.gz LFAIFTWQKJHGST-LBPRGKRZSA-N 0 3 327.815 4.021 20 30 EIEDHN C=CCN(CCc1ccco1)Cc1ccc2c(c1)OCCCCO2 ZINC001180331038 1050970329 /nfs/dbraw/zinc/97/03/29/1050970329.db2.gz BKUJKVIVUZMSCH-UHFFFAOYSA-N 0 3 327.424 4.062 20 30 EIEDHN C=C(C)[C@@H](NCc1ccc(OCC)cc1O)c1ccc(F)c(F)c1 ZINC000775318366 1051059688 /nfs/dbraw/zinc/05/96/88/1051059688.db2.gz GGDZNHPFUCWEFF-LJQANCHMSA-N 0 3 333.378 4.476 20 30 EIEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1ccc(-c2ccccc2)cc1 ZINC001180941336 1051116447 /nfs/dbraw/zinc/11/64/47/1051116447.db2.gz DXYYNLSPOXCEGD-QFIPXVFZSA-N 0 3 348.490 4.053 20 30 EIEDHN CCCCCCCCCCN[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC001174779974 1051173249 /nfs/dbraw/zinc/17/32/49/1051173249.db2.gz LOHIZZKWTHAWPU-IBGZPJMESA-N 0 3 337.529 4.386 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC001190528833 1051205485 /nfs/dbraw/zinc/20/54/85/1051205485.db2.gz MQXGWLSDHQDBIL-NRFANRHFSA-N 0 3 334.463 4.356 20 30 EIEDHN Cn1c(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc2ccccc21 ZINC001181410880 1051215772 /nfs/dbraw/zinc/21/57/72/1051215772.db2.gz SHXMHMZRQOGDRR-UHFFFAOYSA-N 0 3 345.446 4.093 20 30 EIEDHN COCCN(Cc1cc(Cl)cc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001190635281 1051241148 /nfs/dbraw/zinc/24/11/48/1051241148.db2.gz HHXYYNKLEYNTFM-HNNXBMFYSA-N 0 3 328.843 4.421 20 30 EIEDHN CC[C@@H]1CCCCCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001191122403 1051358136 /nfs/dbraw/zinc/35/81/36/1051358136.db2.gz QCRITJYCDNYNEZ-LJQANCHMSA-N 0 3 341.499 4.205 20 30 EIEDHN N#CC(C(=O)Nc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC000155439980 1051419361 /nfs/dbraw/zinc/41/93/61/1051419361.db2.gz BCEVREMYQPYXEN-HNNXBMFYSA-N 0 3 337.379 4.195 20 30 EIEDHN N#CC(C(=O)C1CCC(C(F)(F)F)CC1)c1nc2ccccc2[nH]1 ZINC000774034344 1051425584 /nfs/dbraw/zinc/42/55/84/1051425584.db2.gz KMSZMGLODAZKAS-HTAVTVPLSA-N 0 3 335.329 4.108 20 30 EIEDHN C#CC[C@@H]1CCCN(Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC001182545017 1051636683 /nfs/dbraw/zinc/63/66/83/1051636683.db2.gz UBAJXKUZOYRQGQ-CYBMUJFWSA-N 0 3 332.419 4.324 20 30 EIEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001182665463 1051662729 /nfs/dbraw/zinc/66/27/29/1051662729.db2.gz GENXSYBVRYJUIN-ZTFGCOKTSA-N 0 3 342.483 4.475 20 30 EIEDHN COc1cc(C#N)ccc1CN1CCC(CCc2ccccc2)CC1 ZINC001176192974 1051937404 /nfs/dbraw/zinc/93/74/04/1051937404.db2.gz HKCKLKKKBSYSEQ-UHFFFAOYSA-N 0 3 334.463 4.412 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCCC[C@@H](C)C2)c1 ZINC001193516538 1051942105 /nfs/dbraw/zinc/94/21/05/1051942105.db2.gz CYDUJDALETUSQH-VQIMIIECSA-N 0 3 341.499 4.061 20 30 EIEDHN C[C@]1(c2ccccc2)CC[C@@H](N2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001184046064 1051944424 /nfs/dbraw/zinc/94/44/24/1051944424.db2.gz SGWPLNCCTZWWRH-VJBWXMMDSA-N 0 3 346.474 4.442 20 30 EIEDHN Cc1cccc(C(C)(C)C)c1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001184591286 1052050563 /nfs/dbraw/zinc/05/05/63/1052050563.db2.gz GDEIBWVQQNFWSR-HNNXBMFYSA-N 0 3 344.480 4.099 20 30 EIEDHN CC(C)c1cccc2c1CCN(CCC(=O)Nc1cccc(C#N)c1)C2 ZINC001194041929 1052059720 /nfs/dbraw/zinc/05/97/20/1052059720.db2.gz IKSXESHIZMZPMN-UHFFFAOYSA-N 0 3 347.462 4.069 20 30 EIEDHN C#CCN(C[C@H]1COC2(CCCCC2)O1)[C@H]1CCCc2ccccc21 ZINC001176454138 1052078827 /nfs/dbraw/zinc/07/88/27/1052078827.db2.gz ZPNWZDSLLFMCOL-FPOVZHCZSA-N 0 3 339.479 4.075 20 30 EIEDHN Cc1ccc([C@H](C)NCC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1 ZINC000774831606 1052181907 /nfs/dbraw/zinc/18/19/07/1052181907.db2.gz LXBUISBFOHZNAC-IBGZPJMESA-N 0 3 349.478 4.209 20 30 EIEDHN CC(C)(CNCc1cccc(F)c1OCC(F)(F)F)C(F)(F)F ZINC000623515773 1052670581 /nfs/dbraw/zinc/67/05/81/1052670581.db2.gz OYTGPKWDSRBVTI-UHFFFAOYSA-N 0 3 347.274 4.445 20 30 EIEDHN C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001299258876 1052805254 /nfs/dbraw/zinc/80/52/54/1052805254.db2.gz JVFOLPYKYWWRLK-HXUWFJFHSA-N 0 3 347.462 4.208 20 30 EIEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1COc2ccccc21 ZINC000185564114 1053018978 /nfs/dbraw/zinc/01/89/78/1053018978.db2.gz PGFKISBUNJNSGB-RDTXWAMCSA-N 0 3 345.364 4.211 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC(C)(C)c2ccccc2)c1 ZINC000119592863 1053069501 /nfs/dbraw/zinc/06/95/01/1053069501.db2.gz QSJVATPSTIZXEQ-SFHVURJKSA-N 0 3 334.419 4.010 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000850137530 1053078846 /nfs/dbraw/zinc/07/88/46/1053078846.db2.gz QCHOOTFKSGLVLO-HXUWFJFHSA-N 0 3 345.446 4.213 20 30 EIEDHN CC#CCN1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001194982944 1053218141 /nfs/dbraw/zinc/21/81/41/1053218141.db2.gz GVVKMJGWOKTKIR-UHFFFAOYSA-N 0 3 328.456 4.236 20 30 EIEDHN N#CC(C(=O)CC[C@H]1CC1(Cl)Cl)c1ccc2ccccc2n1 ZINC000850741089 1053343379 /nfs/dbraw/zinc/34/33/79/1053343379.db2.gz DJCNDWYBMHPHHH-QWHCGFSZSA-N 0 3 333.218 4.385 20 30 EIEDHN C#CCN1CCC(C(=O)Nc2c(C)cc(Cl)c3ccccc32)CC1 ZINC000765295244 1053494546 /nfs/dbraw/zinc/49/45/46/1053494546.db2.gz XLSRQMPORXFBLT-UHFFFAOYSA-N 0 3 340.854 4.085 20 30 EIEDHN COc1ccc(CN(Cc2ccc(O[C@H](C)C#N)cc2)C2CC2)cc1 ZINC000120723296 1053589949 /nfs/dbraw/zinc/58/99/49/1053589949.db2.gz YVAUGYMQAOSWJO-MRXNPFEDSA-N 0 3 336.435 4.151 20 30 EIEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000853095075 1053645272 /nfs/dbraw/zinc/64/52/72/1053645272.db2.gz RANSRYHBVZMJQL-QGZVFWFLSA-N 0 3 335.447 4.265 20 30 EIEDHN CC[C@@H](C)C(=O)Nc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921569885 1053894261 /nfs/dbraw/zinc/89/42/61/1053894261.db2.gz DSYQGYZZROGHBD-OAHLLOKOSA-N 0 3 349.478 4.450 20 30 EIEDHN N#Cc1cc(CN2CCCC[C@@H]2CC2(O)CCCCC2)ccc1F ZINC001197692546 1053975700 /nfs/dbraw/zinc/97/57/00/1053975700.db2.gz NMPBVGFRSSGYKX-GOSISDBHSA-N 0 3 330.447 4.137 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000113952596 1054027432 /nfs/dbraw/zinc/02/74/32/1054027432.db2.gz GBKMPUOECARZIJ-CJNGLKHVSA-N 0 3 330.378 4.497 20 30 EIEDHN C#CCCOc1ccc(CNCc2cccc(O[C@@H](C#N)CC)c2)cc1 ZINC000113961404 1054033673 /nfs/dbraw/zinc/03/36/73/1054033673.db2.gz WYPUICUTZWGDOS-HXUWFJFHSA-N 0 3 348.446 4.059 20 30 EIEDHN CCS[C@@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)C(C)C ZINC000114619323 1054115440 /nfs/dbraw/zinc/11/54/40/1054115440.db2.gz KAUOYUHVBDWUJI-XJKSGUPXSA-N 0 3 345.493 4.159 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024022 1054404035 /nfs/dbraw/zinc/40/40/35/1054404035.db2.gz SYYUZMZUKUGYTQ-KKSFZXQISA-N 0 3 347.462 4.435 20 30 EIEDHN CC(C)C1(C=Nn2cnnc2SCc2ccc(Cl)cc2)CC1 ZINC000872337476 1054438469 /nfs/dbraw/zinc/43/84/69/1054438469.db2.gz ATNZNSJAECMVCA-UHFFFAOYSA-N 0 3 334.876 4.494 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776012661 1054445619 /nfs/dbraw/zinc/44/56/19/1054445619.db2.gz INULANRJXJZZKO-DVOMOZLQSA-N 0 3 326.362 4.140 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCCSC)cc1 ZINC000124097348 1054447144 /nfs/dbraw/zinc/44/71/44/1054447144.db2.gz HBRMJWUURNZCHL-PBHICJAKSA-N 0 3 346.496 4.381 20 30 EIEDHN CN(C)c1ccncc1C=NN(Cc1ccccc1)Cc1ccccc1 ZINC000776186396 1054804105 /nfs/dbraw/zinc/80/41/05/1054804105.db2.gz YCMIYPNHFZEOHC-UHFFFAOYSA-N 0 3 344.462 4.184 20 30 EIEDHN N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(F)c1 ZINC001201474659 1054827643 /nfs/dbraw/zinc/82/76/43/1054827643.db2.gz JLUPZEWNEAZGFK-MOPGFXCFSA-N 0 3 333.410 4.430 20 30 EIEDHN CC(C)n1ncc(C#N)c1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201475850 1054829150 /nfs/dbraw/zinc/82/91/50/1054829150.db2.gz ZTULLIASTAPOJL-UXHICEINSA-N 0 3 347.466 4.068 20 30 EIEDHN N#CCc1cccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001201478093 1054831224 /nfs/dbraw/zinc/83/12/24/1054831224.db2.gz VJPDICYBEDGGQW-YADHBBJMSA-N 0 3 329.447 4.485 20 30 EIEDHN C=CCCC[C@H](C)NCc1cccc(F)c1I ZINC001201657175 1054878422 /nfs/dbraw/zinc/87/84/22/1054878422.db2.gz XELFZCQDGBNWEE-NSHDSACASA-N 0 3 347.215 4.265 20 30 EIEDHN CCCCCCCN1CCC(c2cccc(S(C)(=O)=O)c2)CC1 ZINC001201797914 1054909088 /nfs/dbraw/zinc/90/90/88/1054909088.db2.gz GNOMWPQGEOCPPM-UHFFFAOYSA-N 0 3 337.529 4.240 20 30 EIEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000876593267 1054935666 /nfs/dbraw/zinc/93/56/66/1054935666.db2.gz YSBUHWUMZKZLAO-KBPBESRZSA-N 0 3 347.673 4.127 20 30 EIEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000876637171 1054942147 /nfs/dbraw/zinc/94/21/47/1054942147.db2.gz IRQOTJLNNNXXKG-CYBMUJFWSA-N 0 3 326.893 4.294 20 30 EIEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000876631499 1054942176 /nfs/dbraw/zinc/94/21/76/1054942176.db2.gz STNHYLYPVWZVIH-IBGZPJMESA-N 0 3 342.870 4.016 20 30 EIEDHN COC(=O)CCCN(Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001202252190 1055096227 /nfs/dbraw/zinc/09/62/27/1055096227.db2.gz DDIQNEVIBFCOTD-KRWDZBQOSA-N 0 3 336.435 4.075 20 30 EIEDHN CC(=O)[C@](C#N)(CCN1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000877898977 1055147551 /nfs/dbraw/zinc/14/75/51/1055147551.db2.gz WYPLAMINJVFIPX-FGZHOGPDSA-N 0 3 332.447 4.264 20 30 EIEDHN CCCN(CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000877900904 1055148002 /nfs/dbraw/zinc/14/80/02/1055148002.db2.gz YCNLHFVYQNNYRQ-QFIPXVFZSA-N 0 3 334.463 4.339 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(CCc1ccccc1)C1CC1)c1ccccc1 ZINC000878002610 1055171897 /nfs/dbraw/zinc/17/18/97/1055171897.db2.gz FHABSXCTWBSXIQ-QHCPKHFHSA-N 0 3 346.474 4.134 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(C)[C@@H](C)Cc1ccccc1C)c1ccccc1 ZINC000878520015 1055331084 /nfs/dbraw/zinc/33/10/84/1055331084.db2.gz FKRDUFXQSDCBMN-WMZHIEFXSA-N 0 3 348.490 4.299 20 30 EIEDHN CN(Cc1ccc(C#N)cc1F)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273384218 1055795022 /nfs/dbraw/zinc/79/50/22/1055795022.db2.gz DARIETOHRRCRTR-UYAOXDASSA-N 0 3 342.389 4.189 20 30 EIEDHN C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(CN(C)C)c1 ZINC000056600935 1055888917 /nfs/dbraw/zinc/88/89/17/1055888917.db2.gz LPHMRWDYWIRLPV-UHFFFAOYSA-N 0 3 341.430 4.107 20 30 EIEDHN N#Cc1cnc2ccccc2c1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000301330475 1055923541 /nfs/dbraw/zinc/92/35/41/1055923541.db2.gz DIURJJGIWALIGS-IBGZPJMESA-N 0 3 346.434 4.339 20 30 EIEDHN C[C@@H](CNc1cc(C#N)nc2ccccc21)N1CCc2sccc2C1 ZINC000301345079 1055924783 /nfs/dbraw/zinc/92/47/83/1055924783.db2.gz KCMOHYOVKRWQSO-AWEZNQCLSA-N 0 3 348.475 4.027 20 30 EIEDHN CC(=O)c1ccc(C#N)c(N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000302134388 1056022983 /nfs/dbraw/zinc/02/29/83/1056022983.db2.gz ZJTYQQKSSAOKAZ-IIBYNOLFSA-N 0 3 347.462 4.226 20 30 EIEDHN CC[C@H](C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000111087384 1056744980 /nfs/dbraw/zinc/74/49/80/1056744980.db2.gz PYIZVIPUAPHUGT-AWEZNQCLSA-N 0 3 344.503 4.151 20 30 EIEDHN CCO[C@@H]1C[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])C12CCC2 ZINC000741465630 1058222320 /nfs/dbraw/zinc/22/23/20/1058222320.db2.gz WOVATQJIPZISAL-BAHKZBQYSA-N 0 3 330.472 4.005 20 30 EIEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2cccc(F)c2F)ccc1[O-] ZINC000743443085 1058992581 /nfs/dbraw/zinc/99/25/81/1058992581.db2.gz PUZUBPAMGHJCJV-UHFFFAOYSA-N 0 3 347.409 4.348 20 30 EIEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000744062729 1059256188 /nfs/dbraw/zinc/25/61/88/1059256188.db2.gz JXGMVUAZTLNLFP-OCCSQVGLSA-N 0 3 337.404 4.087 20 30 EIEDHN Cc1ccc([C@H](C)C(=O)C(C#N)c2nc3cc(F)ccc3s2)o1 ZINC000744117532 1059272375 /nfs/dbraw/zinc/27/23/75/1059272375.db2.gz XLNRSICRWXKAMH-CMPLNLGQSA-N 0 3 328.368 4.317 20 30 EIEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)c2nc3cc(F)ccc3s2)o1 ZINC000744117534 1059273486 /nfs/dbraw/zinc/27/34/86/1059273486.db2.gz XLNRSICRWXKAMH-PWSUYJOCSA-N 0 3 328.368 4.317 20 30 EIEDHN C#CCN1CCC(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000745362150 1059822448 /nfs/dbraw/zinc/82/24/48/1059822448.db2.gz FYNWZEAPWJGADB-UHFFFAOYSA-N 0 3 346.434 4.386 20 30 EIEDHN CCN(CC)c1ccc(C=[NH+]Cc2nc3cc(C)ccc3[nH]2)c([O-])c1 ZINC000745976589 1059944926 /nfs/dbraw/zinc/94/49/26/1059944926.db2.gz KQIHVDYLOIQYNG-CIAFOILYSA-N 0 3 336.439 4.042 20 30 EIEDHN CCN(CC)c1ccc(C=[NH+]Cc2nc3ccc(C)cc3[nH]2)c([O-])c1 ZINC000745976589 1059944948 /nfs/dbraw/zinc/94/49/48/1059944948.db2.gz KQIHVDYLOIQYNG-CIAFOILYSA-N 0 3 336.439 4.042 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)cc2C(C)C)CC1 ZINC000529242580 1032238596 /nfs/dbraw/zinc/23/85/96/1032238596.db2.gz GWXBONIAEMGINW-UHFFFAOYSA-N 0 3 335.879 4.235 20 30 EIEDHN COc1cccc([C@@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000245501013 1032276078 /nfs/dbraw/zinc/27/60/78/1032276078.db2.gz BOKMYOZJDUHMFH-IERDGZPVSA-N 0 3 336.435 4.323 20 30 EIEDHN CC(C)[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000610250189 1032421110 /nfs/dbraw/zinc/42/11/10/1032421110.db2.gz IVJPONMQWNIEDO-NQIIRXRSSA-N 0 3 349.478 4.309 20 30 EIEDHN C=CCCC[C@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000181090546 1032643918 /nfs/dbraw/zinc/64/39/18/1032643918.db2.gz CLBDDHIOSPBAFO-SFHVURJKSA-N 0 3 343.515 4.037 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)c2ccccc2)c1 ZINC000160158183 1018737686 /nfs/dbraw/zinc/73/76/86/1018737686.db2.gz WWXMALDVEUMZMH-APWZRJJASA-N 0 3 334.419 4.226 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000154343330 1019733284 /nfs/dbraw/zinc/73/32/84/1019733284.db2.gz BKWBCFQOGYQWSR-CVEARBPZSA-N 0 3 333.435 4.097 20 30 EIEDHN Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000339660490 1019786413 /nfs/dbraw/zinc/78/64/13/1019786413.db2.gz HDWRZIGAIADRNE-GOSISDBHSA-N 0 3 348.425 4.020 20 30 EIEDHN C#CCN(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@@H]1CCc2ccccc21 ZINC001167178768 1020485770 /nfs/dbraw/zinc/48/57/70/1020485770.db2.gz KJFWRCQXNQPHEF-JQHSSLGASA-N 0 3 337.385 4.109 20 30 EIEDHN C[C@H](CN1CCN(c2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC001167288043 1020865983 /nfs/dbraw/zinc/86/59/83/1020865983.db2.gz WXEPOPDTOXZZQV-MRXNPFEDSA-N 0 3 329.463 4.036 20 30 EIEDHN CC(C)c1nnc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000050027760 1021757737 /nfs/dbraw/zinc/75/77/37/1021757737.db2.gz WQWMERSVGXYYRJ-HNNXBMFYSA-N 0 3 344.484 4.162 20 30 EIEDHN C=C(C)CN(CCc1ccc2c(c1)CCO2)Cc1cnn(C(C)C)c1 ZINC000512531805 1033030316 /nfs/dbraw/zinc/03/03/16/1033030316.db2.gz JGKUHSFEIBXFFS-UHFFFAOYSA-N 0 3 339.483 4.020 20 30 EIEDHN CC[C@H](N[C@H](Cc1nc(C)no1)c1ccccc1)c1ccc(C#N)cc1 ZINC000278802046 1022214455 /nfs/dbraw/zinc/21/44/55/1022214455.db2.gz RFGCOIQLMANBFV-VQTJNVASSA-N 0 3 346.434 4.274 20 30 EIEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000378106786 1022378710 /nfs/dbraw/zinc/37/87/10/1022378710.db2.gz ZKQZMXVWICRYAX-HKUYNNGSSA-N 0 3 346.902 4.217 20 30 EIEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000162278270 1022965577 /nfs/dbraw/zinc/96/55/77/1022965577.db2.gz DEIGHYAJHUXESQ-GJZGRUSLSA-N 0 3 327.399 4.258 20 30 EIEDHN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000181449695 1023131231 /nfs/dbraw/zinc/13/12/31/1023131231.db2.gz LNEJWKGGTOUQTH-FHLIZLRMSA-N 0 3 338.455 4.159 20 30 EIEDHN C=CCOc1ccc(CN[C@@H]2CCCc3nc(CC)sc32)cc1 ZINC000584670598 1023165051 /nfs/dbraw/zinc/16/50/51/1023165051.db2.gz JAKLPRQDDNJHGV-MRXNPFEDSA-N 0 3 328.481 4.438 20 30 EIEDHN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)o1 ZINC000510421244 1023167365 /nfs/dbraw/zinc/16/73/65/1023167365.db2.gz JUHCOQCSFKVBHR-UHFFFAOYSA-N 0 3 348.450 4.386 20 30 EIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000417364704 1023289817 /nfs/dbraw/zinc/28/98/17/1023289817.db2.gz LOARBXMUPHWJAN-VLIAUNLRSA-N 0 3 337.442 4.492 20 30 EIEDHN COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417370782 1023293170 /nfs/dbraw/zinc/29/31/70/1023293170.db2.gz SUECNLFRDITXBQ-MOPGFXCFSA-N 0 3 336.410 4.360 20 30 EIEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000376957036 1023341745 /nfs/dbraw/zinc/34/17/45/1023341745.db2.gz UVTIQAWOVSZEIF-ZVZYQTTQSA-N 0 3 334.891 4.051 20 30 EIEDHN C=CCOc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000418138343 1023554081 /nfs/dbraw/zinc/55/40/81/1023554081.db2.gz CSIAAOCCORVBRF-HXUWFJFHSA-N 0 3 348.446 4.299 20 30 EIEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000661118147 1024244322 /nfs/dbraw/zinc/24/43/22/1024244322.db2.gz WZJGDHGQVCUVQB-TZMCWYRMSA-N 0 3 343.496 4.110 20 30 EIEDHN CCOc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccc1OC ZINC000341703219 1024355155 /nfs/dbraw/zinc/35/51/55/1024355155.db2.gz XRJHXRMYQSUTQG-IBGZPJMESA-N 0 3 336.435 4.133 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(Br)c1 ZINC000341707661 1024363707 /nfs/dbraw/zinc/36/37/07/1024363707.db2.gz JKVCOGFKVAKFSR-GOSISDBHSA-N 0 3 341.252 4.488 20 30 EIEDHN COc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000341758516 1024616420 /nfs/dbraw/zinc/61/64/20/1024616420.db2.gz QMUVNRNKKRTLOP-VBKZILBWSA-N 0 3 336.435 4.304 20 30 EIEDHN CC[C@H]1C[C@H](C)CN1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167500921 1025360778 /nfs/dbraw/zinc/36/07/78/1025360778.db2.gz XQDLOEFKYUHWRD-HOCLYGCPSA-N 0 3 347.890 4.016 20 30 EIEDHN N#Cc1ccc(CNC2(c3ccc(Cl)cc3)CCOCC2)s1 ZINC000538398836 1025385963 /nfs/dbraw/zinc/38/59/63/1025385963.db2.gz UNLUACMCQOKALD-UHFFFAOYSA-N 0 3 332.856 4.069 20 30 EIEDHN C=CCOc1cccc(CN[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000342273074 1025732729 /nfs/dbraw/zinc/73/27/29/1025732729.db2.gz FXQDQZNRTYUVLU-LJQANCHMSA-N 0 3 331.843 4.118 20 30 EIEDHN CCc1cnc(CNC2CCC(Oc3ccccc3C#N)CC2)s1 ZINC000344111239 1026027779 /nfs/dbraw/zinc/02/77/79/1026027779.db2.gz KFYMDQUTHMPPJV-UHFFFAOYSA-N 0 3 341.480 4.057 20 30 EIEDHN COc1ccc(C2(NCc3cccc(OCCCC#N)c3)CC2)cc1 ZINC000344189181 1026114871 /nfs/dbraw/zinc/11/48/71/1026114871.db2.gz YWAQJJNYYMSROI-UHFFFAOYSA-N 0 3 336.435 4.157 20 30 EIEDHN CC(C)(C)C1=CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279340134 1026384751 /nfs/dbraw/zinc/38/47/51/1026384751.db2.gz DWQYLRBXRSODEA-UHFFFAOYSA-N 0 3 349.482 4.037 20 30 EIEDHN N#Cc1cc(CN(Cc2ccc(F)cc2)C2CCOCC2)ccc1F ZINC000279350556 1026387325 /nfs/dbraw/zinc/38/73/25/1026387325.db2.gz VLVRWJUZMHPMHB-UHFFFAOYSA-N 0 3 342.389 4.018 20 30 EIEDHN C=CCN1CCC(N[C@@H](c2cccc(OC(C)C)c2)C(F)F)CC1 ZINC000684835868 1026504792 /nfs/dbraw/zinc/50/47/92/1026504792.db2.gz LAFIFDZKUCVILX-SFHVURJKSA-N 0 3 338.442 4.020 20 30 EIEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(Oc3ccccc3F)c2)C1 ZINC000279619355 1026551249 /nfs/dbraw/zinc/55/12/49/1026551249.db2.gz YDVXDMJKZAJZES-GOEBONIOSA-N 0 3 325.387 4.185 20 30 EIEDHN C#CCCOc1ccc(CN2CCC(OC3CCCC3)CC2)cc1 ZINC000092758863 1026597667 /nfs/dbraw/zinc/59/76/67/1026597667.db2.gz QPTHDNKQCLGNNQ-UHFFFAOYSA-N 0 3 327.468 4.012 20 30 EIEDHN N#CC(C(=O)c1ccoc1C1CC1)c1nc2ccccc2n1C(F)F ZINC000342627957 1026764520 /nfs/dbraw/zinc/76/45/20/1026764520.db2.gz FAVDEQRJNXDTAA-GFCCVEGCSA-N 0 3 341.317 4.392 20 30 EIEDHN CC(C)(C)C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342736373 1026919672 /nfs/dbraw/zinc/91/96/72/1026919672.db2.gz WXZYYHISGJZVDI-LJQANCHMSA-N 0 3 332.451 4.473 20 30 EIEDHN C=CCN(CCC(=O)NCc1ccccc1Cl)Cc1cccs1 ZINC000247987235 1026930995 /nfs/dbraw/zinc/93/09/95/1026930995.db2.gz IXRTXSKCXOVYFX-UHFFFAOYSA-N 0 3 348.899 4.096 20 30 EIEDHN CSCC[C@@H](C)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440608246 1026970735 /nfs/dbraw/zinc/97/07/35/1026970735.db2.gz IEABXXVEQWCEJN-CYBMUJFWSA-N 0 3 331.403 4.010 20 30 EIEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472245766 1026999482 /nfs/dbraw/zinc/99/94/82/1026999482.db2.gz ZYJTYMIJLFAQIX-FUHIMQAGSA-N 0 3 349.478 4.391 20 30 EIEDHN Cc1cccc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000485331762 1027253837 /nfs/dbraw/zinc/25/38/37/1027253837.db2.gz OEIWRWWXQQEVLK-UWJYYQICSA-N 0 3 347.462 4.021 20 30 EIEDHN CC(C)(NCc1ccc(C#N)s1)c1ccc(Br)cc1 ZINC000135679624 1027299743 /nfs/dbraw/zinc/29/97/43/1027299743.db2.gz OSXJQOHJVDVGIC-UHFFFAOYSA-N 0 3 335.270 4.407 20 30 EIEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1Br ZINC000302845497 1027412567 /nfs/dbraw/zinc/41/25/67/1027412567.db2.gz DZXNUGHAMNEPMJ-ZDUSSCGKSA-N 0 3 345.240 4.050 20 30 EIEDHN C=CCOc1ccc(CNCc2cc(COC)cs2)cc1Cl ZINC000657659211 1027438601 /nfs/dbraw/zinc/43/86/01/1027438601.db2.gz RFYVYAPOKSEREX-UHFFFAOYSA-N 0 3 337.872 4.403 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CNC(C)(C)c2ccccc2)c1C ZINC000475527642 1027571472 /nfs/dbraw/zinc/57/14/72/1027571472.db2.gz DEWOLKFQDRNHDT-UHFFFAOYSA-N 0 3 349.478 4.075 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2CCC(C)C)CC1 ZINC000473962079 1027754310 /nfs/dbraw/zinc/75/43/10/1027754310.db2.gz XZAQYMVIGPTBQL-IBGZPJMESA-N 0 3 335.536 4.027 20 30 EIEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000166653395 1027865079 /nfs/dbraw/zinc/86/50/79/1027865079.db2.gz OVMFXAFMDVAORR-PNHOKKKMSA-N 0 3 343.854 4.127 20 30 EIEDHN CC(C)N(CCCCC(C)(C)C#N)CC(=O)Nc1ccc(F)cc1 ZINC000444657651 1027928150 /nfs/dbraw/zinc/92/81/50/1027928150.db2.gz LQHPPEFONOUWSY-UHFFFAOYSA-N 0 3 333.451 4.195 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1 ZINC000657741561 1028216873 /nfs/dbraw/zinc/21/68/73/1028216873.db2.gz HFWMSNCQXGOOFH-SFTDATJTSA-N 0 3 325.452 4.099 20 30 EIEDHN FC(F)C(F)(F)COCCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000346626640 1028557527 /nfs/dbraw/zinc/55/75/27/1028557527.db2.gz XSQSOWVPUKGGHV-NSHDSACASA-N 0 3 347.274 4.187 20 30 EIEDHN FC(F)C(F)(F)COCCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000346626639 1028557682 /nfs/dbraw/zinc/55/76/82/1028557682.db2.gz XSQSOWVPUKGGHV-LLVKDONJSA-N 0 3 347.274 4.187 20 30 EIEDHN CC[C@@H](NCc1ccc(C(=O)N(CC)CC)cc1)c1ccc(C#N)cc1 ZINC000278218537 1028588907 /nfs/dbraw/zinc/58/89/07/1028588907.db2.gz ISRFHITZZXCVKC-OAQYLSRUSA-N 0 3 349.478 4.281 20 30 EIEDHN Cc1c([C@@H](C)NCCCC#N)cnn1-c1ccc(Cl)cc1Cl ZINC000346806043 1028665264 /nfs/dbraw/zinc/66/52/64/1028665264.db2.gz AJSDXZALEJDLME-LLVKDONJSA-N 0 3 337.254 4.442 20 30 EIEDHN CCCCN(CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000524252703 1028817235 /nfs/dbraw/zinc/81/72/35/1028817235.db2.gz WRCGOVRSQHMBLJ-SFHVURJKSA-N 0 3 349.478 4.038 20 30 EIEDHN N#Cc1cccc(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)c1 ZINC000151398633 1029509155 /nfs/dbraw/zinc/50/91/55/1029509155.db2.gz VYDILRAISCQZRD-KRWDZBQOSA-N 0 3 332.325 4.234 20 30 EIEDHN CC(C)c1cccc2c1CCN(CCC(=O)Nc1ccccc1C#N)C2 ZINC000475410176 1029620991 /nfs/dbraw/zinc/62/09/91/1029620991.db2.gz LCJNFCLOQIBDGL-UHFFFAOYSA-N 0 3 347.462 4.069 20 30 EIEDHN C[C@@H](NCc1ccc(OC(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000192945524 1029651062 /nfs/dbraw/zinc/65/10/62/1029651062.db2.gz VQDHBYFBXDUGAL-CYBMUJFWSA-N 0 3 332.350 4.041 20 30 EIEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000121305813 1029756742 /nfs/dbraw/zinc/75/67/42/1029756742.db2.gz DUNXFAIRHPPLDY-QGZVFWFLSA-N 0 3 347.418 4.088 20 30 EIEDHN COc1cccc2c1CC[C@H]2NCc1cccc(OCCCC#N)c1 ZINC000151888727 1029835562 /nfs/dbraw/zinc/83/55/62/1029835562.db2.gz DYBJVZMYKXDQON-HXUWFJFHSA-N 0 3 336.435 4.155 20 30 EIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1=CCCCC1 ZINC000450744172 1029943260 /nfs/dbraw/zinc/94/32/60/1029943260.db2.gz LDNFWNBLUMRJOL-UHFFFAOYSA-N 0 3 346.544 4.085 20 30 EIEDHN N#Cc1ccc(OC2CCN(Cc3ccnc4ccccc34)CC2)cc1 ZINC000530278390 1030262853 /nfs/dbraw/zinc/26/28/53/1030262853.db2.gz ZOVJXOYWYOIVAU-UHFFFAOYSA-N 0 3 343.430 4.150 20 30 EIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCOc2ccccc21 ZINC000685443130 1030317611 /nfs/dbraw/zinc/31/76/11/1030317611.db2.gz IHCIRQPPAYBXFQ-LJQANCHMSA-N 0 3 339.483 4.408 20 30 EIEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(C(F)(F)F)c1 ZINC000527634902 1030791493 /nfs/dbraw/zinc/79/14/93/1030791493.db2.gz KHUGOPKWAUIUKX-GFCCVEGCSA-N 0 3 334.341 4.436 20 30 EIEDHN Cc1cc(Cl)cc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000527812121 1030856596 /nfs/dbraw/zinc/85/65/96/1030856596.db2.gz QTEHICYPGGMJAD-UHFFFAOYSA-N 0 3 340.854 4.316 20 30 EIEDHN CCOc1ccc(O)c(/C=N\C[C@H](c2cccs2)N2CCCC2)c1 ZINC000255758186 1031065731 /nfs/dbraw/zinc/06/57/31/1031065731.db2.gz XISICJOOJYSQMN-VJOZSWGJSA-N 0 3 344.480 4.108 20 30 EIEDHN CC(C)CN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000170984237 1031156792 /nfs/dbraw/zinc/15/67/92/1031156792.db2.gz TWBRKKAOPVSYDO-MRXNPFEDSA-N 0 3 347.528 4.386 20 30 EIEDHN Cn1cc(CN[C@@H]2CCCc3nc(-c4ccccc4)sc32)cc1C#N ZINC000365092177 1031497750 /nfs/dbraw/zinc/49/77/50/1031497750.db2.gz WBGWDLLGCWWKIA-QGZVFWFLSA-N 0 3 348.475 4.187 20 30 EIEDHN N#Cc1ccc(C2(NCc3cccc(C(F)F)c3)CCOCC2)cc1 ZINC000528778907 1031849839 /nfs/dbraw/zinc/84/98/39/1031849839.db2.gz PFDWOZXKKKFMIX-UHFFFAOYSA-N 0 3 342.389 4.291 20 30 EIEDHN N#CC(C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000528905993 1031933547 /nfs/dbraw/zinc/93/35/47/1031933547.db2.gz APNBJOHYDVTZBS-BZUAXINKSA-N 0 3 333.366 4.072 20 30 EIEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000512613563 1033496249 /nfs/dbraw/zinc/49/62/49/1033496249.db2.gz SIXMWOHCAGRIFC-VPZZIHKRSA-N 0 3 330.378 4.263 20 30 EIEDHN C[C@H](COc1ccc(F)cc1F)N[C@H](C)c1ccc(C#N)cc1F ZINC000512616847 1033520351 /nfs/dbraw/zinc/52/03/51/1033520351.db2.gz CZMITGYABRHJPH-VXGBXAGGSA-N 0 3 334.341 4.094 20 30 EIEDHN Cc1cccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c1C ZINC000433015351 1033655317 /nfs/dbraw/zinc/65/53/17/1033655317.db2.gz WSHYDAAHICESLJ-FQEVSTJZSA-N 0 3 335.451 4.267 20 30 EIEDHN N#Cc1cccc(CCNCc2ccc(Sc3ccccn3)o2)c1 ZINC000513478908 1034979937 /nfs/dbraw/zinc/97/99/37/1034979937.db2.gz GWGLHQUPKIEBFA-UHFFFAOYSA-N 0 3 335.432 4.030 20 30 EIEDHN C=CCC[C@@H](N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccco1 ZINC000513662682 1035097493 /nfs/dbraw/zinc/09/74/93/1035097493.db2.gz YRIDDMWZWTVOPR-GDBMZVCRSA-N 0 3 331.847 4.204 20 30 EIEDHN CSc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000594985060 1035512254 /nfs/dbraw/zinc/51/22/54/1035512254.db2.gz UPSKBBPVGBCQAC-UHFFFAOYSA-N 0 3 338.476 4.076 20 30 EIEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(Br)c(Cl)c1 ZINC000595054811 1035537995 /nfs/dbraw/zinc/53/79/95/1035537995.db2.gz POWPWCWWFCYVAP-JTQLQIEISA-N 0 3 327.653 4.447 20 30 EIEDHN C[C@@H](N[C@@H](C)COc1c(F)cccc1F)c1ccc(C#N)cc1F ZINC000595071862 1035554328 /nfs/dbraw/zinc/55/43/28/1035554328.db2.gz CDPBYQVABTWFFN-NWDGAFQWSA-N 0 3 334.341 4.094 20 30 EIEDHN CC(C)[C@H](O)[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595096891 1035603953 /nfs/dbraw/zinc/60/39/53/1035603953.db2.gz NRZXUQDTVVMOTL-FKBYEOEOSA-N 0 3 334.463 4.283 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cc2ccccc2s1)C(=O)Nc1cccc(C#N)c1 ZINC000575027125 1035655595 /nfs/dbraw/zinc/65/55/95/1035655595.db2.gz QNASELCOEGUOHI-UONOGXRCSA-N 0 3 349.459 4.451 20 30 EIEDHN CCCN(CCc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000595482674 1035680478 /nfs/dbraw/zinc/68/04/78/1035680478.db2.gz UGJYSSGJTXPFQT-SFHVURJKSA-N 0 3 349.478 4.148 20 30 EIEDHN CC[C@H](C)N(CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000595602882 1035744315 /nfs/dbraw/zinc/74/43/15/1035744315.db2.gz XMMNSDKBRABXNX-LSDHHAIUSA-N 0 3 333.501 4.140 20 30 EIEDHN Cc1cc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)ccc1C#N ZINC000593125886 1035800498 /nfs/dbraw/zinc/80/04/98/1035800498.db2.gz PXXIKHLQXRCTCD-FKBYEOEOSA-N 0 3 332.447 4.361 20 30 EIEDHN Cc1cccc([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000485331760 1035826135 /nfs/dbraw/zinc/82/61/35/1035826135.db2.gz OEIWRWWXQQEVLK-LAUBAEHRSA-N 0 3 347.462 4.021 20 30 EIEDHN COC[C@H](C)Oc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000597160204 1036135560 /nfs/dbraw/zinc/13/55/60/1036135560.db2.gz KNXVXXIAFIDZTD-IRXDYDNUSA-N 0 3 338.451 4.165 20 30 EIEDHN Cc1ccnc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000597193660 1036138038 /nfs/dbraw/zinc/13/80/38/1036138038.db2.gz VVCQCVNHVQIDBX-UHFFFAOYSA-N 0 3 346.478 4.216 20 30 EIEDHN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)Cc1ccnc(C#N)c1 ZINC000588210568 1036310955 /nfs/dbraw/zinc/31/09/55/1036310955.db2.gz UTWSNKRIVSRWJA-ZDUSSCGKSA-N 0 3 333.357 4.035 20 30 EIEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1OC1CCCC1 ZINC000602520211 1036476645 /nfs/dbraw/zinc/47/66/45/1036476645.db2.gz KYCXNRWBATVPBC-QGZVFWFLSA-N 0 3 342.483 4.197 20 30 EIEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1OC1CCCC1 ZINC000602520210 1036477697 /nfs/dbraw/zinc/47/76/97/1036477697.db2.gz KYCXNRWBATVPBC-KRWDZBQOSA-N 0 3 342.483 4.197 20 30 EIEDHN N#CC1CCC(N[C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000602565940 1036499417 /nfs/dbraw/zinc/49/94/17/1036499417.db2.gz BLOSOUVVORALRK-YVNUBYTISA-N 0 3 325.843 4.496 20 30 EIEDHN N#CCCC[C@H](N[C@@H](c1nc[nH]n1)C1CCCCC1)c1ccccc1 ZINC000602672769 1036551676 /nfs/dbraw/zinc/55/16/76/1036551676.db2.gz ZTKWFLTZRISDRN-RBUKOAKNSA-N 0 3 337.471 4.451 20 30 EIEDHN N#CCCC[C@H]([NH2+][C@@H](c1nnc[n-]1)C1CCCCC1)c1ccccc1 ZINC000602672769 1036551704 /nfs/dbraw/zinc/55/17/04/1036551704.db2.gz ZTKWFLTZRISDRN-RBUKOAKNSA-N 0 3 337.471 4.451 20 30 EIEDHN C[C@H](CC1(C#N)CCOCC1)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000602699966 1036576394 /nfs/dbraw/zinc/57/63/94/1036576394.db2.gz PTHIXTXXZSRFLS-PBHICJAKSA-N 0 3 346.446 4.116 20 30 EIEDHN COc1cc([C@H](C)NCC2(CC#N)CC2)ccc1OC1CCCC1 ZINC000602802101 1036627879 /nfs/dbraw/zinc/62/78/79/1036627879.db2.gz PAWJCHZKOHTWBL-HNNXBMFYSA-N 0 3 328.456 4.361 20 30 EIEDHN COc1cc([C@@H](C)NCC2(CC#N)CC2)ccc1OC1CCCC1 ZINC000602802133 1036628027 /nfs/dbraw/zinc/62/80/27/1036628027.db2.gz PAWJCHZKOHTWBL-OAHLLOKOSA-N 0 3 328.456 4.361 20 30 EIEDHN N#CCC1(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000602792454 1036635475 /nfs/dbraw/zinc/63/54/75/1036635475.db2.gz YMNKUPKHTYNCRL-UHFFFAOYSA-N 0 3 329.831 4.354 20 30 EIEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(OC(F)F)c1 ZINC000589336465 1036739167 /nfs/dbraw/zinc/73/91/67/1036739167.db2.gz JZPDWZALXGVEFS-XIKOKIGWSA-N 0 3 328.362 4.498 20 30 EIEDHN Cc1cc(Br)ccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000589342390 1036739553 /nfs/dbraw/zinc/73/95/53/1036739553.db2.gz PJFOELSUHVLCNZ-GOSISDBHSA-N 0 3 341.252 4.406 20 30 EIEDHN COc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)c(C)c1 ZINC000589315678 1036744384 /nfs/dbraw/zinc/74/43/84/1036744384.db2.gz QBJJZTVCQMOSFL-UHFFFAOYSA-N 0 3 334.341 4.184 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000598700731 1036750564 /nfs/dbraw/zinc/75/05/64/1036750564.db2.gz PRJAMBBKROSSCG-GHTZIAJQSA-N 0 3 348.446 4.413 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000598721097 1036759109 /nfs/dbraw/zinc/75/91/09/1036759109.db2.gz SFIZAGDQOMKGIO-DLBZAZTESA-N 0 3 348.899 4.381 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000598721098 1036760774 /nfs/dbraw/zinc/76/07/74/1036760774.db2.gz SFIZAGDQOMKGIO-IAGOWNOFSA-N 0 3 348.899 4.381 20 30 EIEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccncc1Cl ZINC000421827600 1036784237 /nfs/dbraw/zinc/78/42/37/1036784237.db2.gz YKMJXFHDEATCDC-ZDUSSCGKSA-N 0 3 331.872 4.191 20 30 EIEDHN N#Cc1ccc(CN[C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)s1 ZINC000421879451 1036831706 /nfs/dbraw/zinc/83/17/06/1036831706.db2.gz NEUSZBRFIZOJPC-SCLBCKFNSA-N 0 3 330.428 4.016 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCc3ccc(Br)cc32)s1 ZINC000421872512 1036841568 /nfs/dbraw/zinc/84/15/68/1036841568.db2.gz GUNKUNODYMPXJR-OAHLLOKOSA-N 0 3 333.254 4.159 20 30 EIEDHN CSc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000599002361 1036842828 /nfs/dbraw/zinc/84/28/28/1036842828.db2.gz UDKYCMKJWLZTPN-UHFFFAOYSA-N 0 3 338.476 4.076 20 30 EIEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000599091044 1036875619 /nfs/dbraw/zinc/87/56/19/1036875619.db2.gz NSGHSQYWQDAWSD-HFBAOOFYSA-N 0 3 327.255 4.089 20 30 EIEDHN COc1ccc([C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C2CC2)cn1 ZINC000599095988 1036877124 /nfs/dbraw/zinc/87/71/24/1036877124.db2.gz JZQKMPBWFGDHKO-FPOVZHCZSA-N 0 3 333.435 4.080 20 30 EIEDHN Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)cc1C#N ZINC000599452398 1037011170 /nfs/dbraw/zinc/01/11/70/1037011170.db2.gz PBZBLPXQMUSYPP-NRFANRHFSA-N 0 3 332.447 4.026 20 30 EIEDHN C=CCC[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000487596136 1037163739 /nfs/dbraw/zinc/16/37/39/1037163739.db2.gz OAVAZVQGGQOOAN-LEWJYISDSA-N 0 3 336.479 4.156 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccnc(C(F)(F)F)c1 ZINC000590779260 1037163929 /nfs/dbraw/zinc/16/39/29/1037163929.db2.gz KDUHQHYPRNMGGL-MRXNPFEDSA-N 0 3 331.341 4.139 20 30 EIEDHN C=C(C)COc1cc(CNCc2ccc(C)c(OC)c2)ccc1OC ZINC000057968950 1037363554 /nfs/dbraw/zinc/36/35/54/1037363554.db2.gz HQURRHHCWUHQGX-UHFFFAOYSA-N 0 3 341.451 4.257 20 30 EIEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000166653737 1037394010 /nfs/dbraw/zinc/39/40/10/1037394010.db2.gz OVMFXAFMDVAORR-UAOJZALGSA-N 0 3 343.854 4.127 20 30 EIEDHN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NCc1ccncc1C#N ZINC000592101191 1037730655 /nfs/dbraw/zinc/73/06/55/1037730655.db2.gz XDUIXORXFVBMDH-STQMWFEESA-N 0 3 333.357 4.254 20 30 EIEDHN C[C@H](NCc1ccncc1C#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000592101189 1037731423 /nfs/dbraw/zinc/73/14/23/1037731423.db2.gz XDUIXORXFVBMDH-OLZOCXBDSA-N 0 3 333.357 4.254 20 30 EIEDHN Cc1cc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)ccc1C#N ZINC000592176797 1037771377 /nfs/dbraw/zinc/77/13/77/1037771377.db2.gz DWSTVUYURAVHFQ-NRFANRHFSA-N 0 3 332.447 4.026 20 30 EIEDHN N#CCCC1CCN(Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000592517560 1037823324 /nfs/dbraw/zinc/82/33/24/1037823324.db2.gz RZSCZSGGTZXQBS-UHFFFAOYSA-N 0 3 329.444 4.465 20 30 EIEDHN N#CC1(CNC2CCN(Cc3c(F)cccc3Cl)CC2)CCCC1 ZINC000593653600 1038115262 /nfs/dbraw/zinc/11/52/62/1038115262.db2.gz RJYSJXQNFWYGAN-UHFFFAOYSA-N 0 3 349.881 4.117 20 30 EIEDHN C=CC[C@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000489679596 1038206590 /nfs/dbraw/zinc/20/65/90/1038206590.db2.gz MTWIIVNJYWCDRH-VXKWHMMOSA-N 0 3 348.490 4.079 20 30 EIEDHN CC(C)(C)OC(=O)c1cccc(CN2CCC(CCC#N)CC2)c1 ZINC000574449593 1038247830 /nfs/dbraw/zinc/24/78/30/1038247830.db2.gz GCOMSUSNLSPETD-UHFFFAOYSA-N 0 3 328.456 4.158 20 30 EIEDHN CC(C)(C)C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594434006 1038333235 /nfs/dbraw/zinc/33/32/35/1038333235.db2.gz WHVKGCPBMBGCTK-IAGOWNOFSA-N 0 3 349.906 4.345 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000594440141 1038335885 /nfs/dbraw/zinc/33/58/85/1038335885.db2.gz UUXJJSOILPWERO-KRWDZBQOSA-N 0 3 347.890 4.027 20 30 EIEDHN CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594443847 1038336610 /nfs/dbraw/zinc/33/66/10/1038336610.db2.gz VNPZUMMLZTWHQQ-UXHICEINSA-N 0 3 341.499 4.275 20 30 EIEDHN CC(=O)Nc1cccc([C@@H](C)NC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594514621 1038358823 /nfs/dbraw/zinc/35/88/23/1038358823.db2.gz JTHIACHLGAENMP-OAHLLOKOSA-N 0 3 333.435 4.247 20 30 EIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCCCO2 ZINC000594514594 1038358993 /nfs/dbraw/zinc/35/89/93/1038358993.db2.gz IZMOOSFFRBJZQI-INIZCTEOSA-N 0 3 348.446 4.450 20 30 EIEDHN N#CC1(c2ccc(CN[C@H](c3ccccc3)[C@@H]3CCCO3)cc2)CC1 ZINC000594916974 1038424032 /nfs/dbraw/zinc/42/40/32/1038424032.db2.gz DWNFJUSWBIACKX-LEWJYISDSA-N 0 3 332.447 4.252 20 30 EIEDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594914143 1038425959 /nfs/dbraw/zinc/42/59/59/1038425959.db2.gz DKQSYNFUSFYHCO-OAHLLOKOSA-N 0 3 333.435 4.051 20 30 EIEDHN CC(C)(NCc1cc(Cl)c2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000594969250 1038485631 /nfs/dbraw/zinc/48/56/31/1038485631.db2.gz VPLGDMHYBTXBHC-UHFFFAOYSA-N 0 3 342.826 4.008 20 30 EIEDHN Cc1cc(C)cc(CNCc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000594972630 1038485647 /nfs/dbraw/zinc/48/56/47/1038485647.db2.gz DHCKEDVCTVUFKW-UHFFFAOYSA-N 0 3 344.462 4.370 20 30 EIEDHN CC(C)(NCc1ccc(OC(F)F)c(F)c1)c1cccc(C#N)c1 ZINC000594969312 1038485767 /nfs/dbraw/zinc/48/57/67/1038485767.db2.gz PCSROTBBVRPOEA-UHFFFAOYSA-N 0 3 334.341 4.324 20 30 EIEDHN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(C2(C#N)CC2)cc1 ZINC000594941696 1038508884 /nfs/dbraw/zinc/50/88/84/1038508884.db2.gz YZKWNDXGSMXVNF-IBGZPJMESA-N 0 3 336.410 4.167 20 30 EIEDHN CCCOc1ccc(Br)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424196000 1038734247 /nfs/dbraw/zinc/73/42/47/1038734247.db2.gz MRZFEXUDIVVSPF-SWLSCSKDSA-N 0 3 337.261 4.020 20 30 EIEDHN C[C@H](NCCC(C)(C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000424317211 1038800662 /nfs/dbraw/zinc/80/06/62/1038800662.db2.gz DVZREAVUFFOTDH-ZDUSSCGKSA-N 0 3 334.435 4.106 20 30 EIEDHN C=C(C)COc1cc(CN[C@@H](C)c2ccncc2CC)ccc1OC ZINC000539104479 1038842944 /nfs/dbraw/zinc/84/29/44/1038842944.db2.gz GQUCYUAKTLOAOD-INIZCTEOSA-N 0 3 340.467 4.458 20 30 EIEDHN CCCC(C)(C)N(CC(=O)N(CC)C[C@H](C)C#N)Cc1cccs1 ZINC000555071067 1038857310 /nfs/dbraw/zinc/85/73/10/1038857310.db2.gz LAMCLXNIBZYXGM-MRXNPFEDSA-N 0 3 349.544 4.137 20 30 EIEDHN CC[C@H](CCc1ccc(Br)cc1)N[C@H]1CCC[C@@H]1C#N ZINC000462067527 1038883661 /nfs/dbraw/zinc/88/36/61/1038883661.db2.gz MJWHRYXGOKTCAA-OIISXLGYSA-N 0 3 335.289 4.442 20 30 EIEDHN Clc1ccc(C#CCN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000539333582 1038981627 /nfs/dbraw/zinc/98/16/27/1038981627.db2.gz HQJUUZMCENNALF-RXVVDRJESA-N 0 3 339.866 4.449 20 30 EIEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481378610 1039363704 /nfs/dbraw/zinc/36/37/04/1039363704.db2.gz LDLRRYXSZYUIGP-YJYMSZOUSA-N 0 3 344.842 4.086 20 30 EIEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC000481446063 1039442142 /nfs/dbraw/zinc/44/21/42/1039442142.db2.gz RTMXGOMOARRLFJ-KPZWWZAWSA-N 0 3 332.806 4.217 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000092788759 1039588816 /nfs/dbraw/zinc/58/88/16/1039588816.db2.gz VXSPQSVBBPBOAH-MRXNPFEDSA-N 0 3 344.480 4.096 20 30 EIEDHN Cn1cccc1[C@@H]1CCCCN1Cc1cccc(OCCCC#N)c1 ZINC000093845390 1039761223 /nfs/dbraw/zinc/76/12/23/1039761223.db2.gz VEFYSDKIMCJHCO-NRFANRHFSA-N 0 3 337.467 4.435 20 30 EIEDHN C=CC[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000505584801 1039967737 /nfs/dbraw/zinc/96/77/37/1039967737.db2.gz BYJSAYKVIYVQBO-DZFGPLHGSA-N 0 3 336.479 4.154 20 30 EIEDHN COc1ccc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cc1OC ZINC000194351090 1040281606 /nfs/dbraw/zinc/28/16/06/1040281606.db2.gz WYROYANOHVLEPL-HUUCEWRRSA-N 0 3 340.423 4.018 20 30 EIEDHN Cc1ccc(Cl)cc1NC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000160124342 1040362190 /nfs/dbraw/zinc/36/21/90/1040362190.db2.gz FGIZGDODHUKVDC-GFCCVEGCSA-N 0 3 333.844 4.474 20 30 EIEDHN C=CCOc1ccccc1CN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000482899291 1040561229 /nfs/dbraw/zinc/56/12/29/1040561229.db2.gz JZPBARBPSBWOGQ-KRWDZBQOSA-N 0 3 333.435 4.288 20 30 EIEDHN CCN(Cc1cc(C#N)n(C)c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000483186748 1040763303 /nfs/dbraw/zinc/76/33/03/1040763303.db2.gz RJWJRXXKPOVRSK-CYBMUJFWSA-N 0 3 335.373 4.499 20 30 EIEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000539972959 1040949754 /nfs/dbraw/zinc/94/97/54/1040949754.db2.gz CBOPXRUTQRORGF-CHWSQXEVSA-N 0 3 348.899 4.410 20 30 EIEDHN Clc1ccc(C#CCN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000538193808 1041160091 /nfs/dbraw/zinc/16/00/91/1041160091.db2.gz GOSFAKPCSWVBLC-QUCCMNQESA-N 0 3 325.839 4.059 20 30 EIEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2CC2)c(OC(F)F)c1 ZINC000538389984 1041307750 /nfs/dbraw/zinc/30/77/50/1041307750.db2.gz MVHHTMFQXNPUJQ-GOSISDBHSA-N 0 3 328.362 4.401 20 30 EIEDHN CCCN(Cc1ccc(Cl)cc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000480525446 1041358431 /nfs/dbraw/zinc/35/84/31/1041358431.db2.gz IQQXPCPICCLNFP-KSZLIROESA-N 0 3 332.875 4.237 20 30 EIEDHN C[C@H](NCCSCc1ccccc1C#N)c1cccc(F)c1F ZINC000538459824 1041364851 /nfs/dbraw/zinc/36/48/51/1041364851.db2.gz MZVXMPJACNRCEE-ZDUSSCGKSA-N 0 3 332.419 4.420 20 30 EIEDHN CCCC1CCC(N(C)Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000484877094 1041475990 /nfs/dbraw/zinc/47/59/90/1041475990.db2.gz RMCOKHGGPSDHFC-UHFFFAOYSA-N 0 3 338.455 4.399 20 30 EIEDHN C[C@@H]1CSCCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000538732229 1041506187 /nfs/dbraw/zinc/50/61/87/1041506187.db2.gz VVAWPFGPSNAZKX-MRXNPFEDSA-N 0 3 338.476 4.075 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000538794852 1041538588 /nfs/dbraw/zinc/53/85/88/1041538588.db2.gz WRAVZKRPYYTXFW-IAGOWNOFSA-N 0 3 335.875 4.153 20 30 EIEDHN Cc1ccc([C@H](Cn2ccnc2)N[C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000540609152 1041561715 /nfs/dbraw/zinc/56/17/15/1041561715.db2.gz DKKTWCVJXMNQRC-GCJKJVERSA-N 0 3 344.462 4.464 20 30 EIEDHN COc1cc(CN(CCC(C)(C)C#N)C2CC2)ccc1OC(F)F ZINC000540666683 1041594211 /nfs/dbraw/zinc/59/42/11/1041594211.db2.gz OANWDTLGRDWHMK-UHFFFAOYSA-N 0 3 338.398 4.201 20 30 EIEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000540705452 1041605068 /nfs/dbraw/zinc/60/50/68/1041605068.db2.gz GMXKEPIPZPOKOF-KPZWWZAWSA-N 0 3 332.806 4.389 20 30 EIEDHN CC(C)n1ccc(C[C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000542137419 1042299778 /nfs/dbraw/zinc/29/97/78/1042299778.db2.gz LOKAEYMIFCGQQY-HNNXBMFYSA-N 0 3 349.400 4.055 20 30 EIEDHN CN(Cc1ccc(CC#N)cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000542209809 1042347353 /nfs/dbraw/zinc/34/73/53/1042347353.db2.gz NACMDQFZUIVWEA-UHFFFAOYSA-N 0 3 334.341 4.283 20 30 EIEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCOCC2)c(Cl)c1 ZINC000784351063 1042504016 /nfs/dbraw/zinc/50/40/16/1042504016.db2.gz IBAMOGKJTZXGSK-FQEVSTJZSA-N 0 3 340.854 4.469 20 30 EIEDHN C[C@H](N[C@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271934160 1042533606 /nfs/dbraw/zinc/53/36/06/1042533606.db2.gz METPKSQIOYERSU-HRAATJIYSA-N 0 3 337.442 4.185 20 30 EIEDHN Cc1sc(NC(=O)CN(C2CC2)C2CCC(C)CC2)c(C#N)c1C ZINC000426378477 1042620288 /nfs/dbraw/zinc/62/02/88/1042620288.db2.gz GROAGUUVZUFAKD-UHFFFAOYSA-N 0 3 345.512 4.218 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2ccc(F)cc2s1 ZINC000613286942 1042689396 /nfs/dbraw/zinc/68/93/96/1042689396.db2.gz WDZPSWOUVNHTMF-CYBMUJFWSA-N 0 3 349.390 4.417 20 30 EIEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccccc3Cl)C2)c(F)c1 ZINC000518818653 1042708967 /nfs/dbraw/zinc/70/89/67/1042708967.db2.gz LQSDCIGPEYLIFD-INIZCTEOSA-N 0 3 343.833 4.109 20 30 EIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C(C)C)C(C)C)c1C#N ZINC000492877787 1042763419 /nfs/dbraw/zinc/76/34/19/1042763419.db2.gz LVUULZPACFRYKE-UHFFFAOYSA-N 0 3 344.503 4.149 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H]2CCC[C@@H](C)C2)c1C ZINC000519002863 1042786055 /nfs/dbraw/zinc/78/60/55/1042786055.db2.gz KHXFEQVOVYZBEU-APWZRJJASA-N 0 3 341.499 4.061 20 30 EIEDHN CC(C)[C@H](CC(F)(F)F)NCc1cc(C#N)ccc1Br ZINC000493543917 1042931152 /nfs/dbraw/zinc/93/11/52/1042931152.db2.gz KQLSLKKCHYJEAB-ZDUSSCGKSA-N 0 3 349.194 4.387 20 30 EIEDHN CC(C)CC[C@H]1CCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000493571986 1042931200 /nfs/dbraw/zinc/93/12/00/1042931200.db2.gz IZUGQMCNMJWUCX-SJLPKXTDSA-N 0 3 338.455 4.303 20 30 EIEDHN C=CCc1cc(CNCc2c(C)oc3ccccc32)cc(OC)c1O ZINC000183922400 1043068025 /nfs/dbraw/zinc/06/80/25/1043068025.db2.gz ZVRAPOFUSSQUHT-UHFFFAOYSA-N 0 3 337.419 4.474 20 30 EIEDHN COc1ccc(Oc2cc(CN[C@H]3CCC[C@@H](C#N)C3)ccn2)cc1 ZINC000185784991 1043220421 /nfs/dbraw/zinc/22/04/21/1043220421.db2.gz ZBMFMXZCYZRAMK-WBVHZDCISA-N 0 3 337.423 4.054 20 30 EIEDHN COc1cccc(Oc2ccc(CN[C@H]3CCC[C@@H](C#N)C3)cn2)c1 ZINC000185784705 1043220957 /nfs/dbraw/zinc/22/09/57/1043220957.db2.gz KUTSDXRTTOLMGN-WBVHZDCISA-N 0 3 337.423 4.054 20 30 EIEDHN CCCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OC(F)F)c1 ZINC000185855567 1043226121 /nfs/dbraw/zinc/22/61/21/1043226121.db2.gz GVKHFNFGILQARN-DZGCQCFKSA-N 0 3 338.398 4.249 20 30 EIEDHN COc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1Br ZINC000030912876 1043233979 /nfs/dbraw/zinc/23/39/79/1043233979.db2.gz CDMMQMAONULWDJ-LBPRGKRZSA-N 0 3 345.240 4.180 20 30 EIEDHN N#CC1CCC(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000929333821 1043241155 /nfs/dbraw/zinc/24/11/55/1043241155.db2.gz YEMZVROUXQMDOO-TYUFSLCMSA-N 0 3 342.327 4.379 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCC)C2CCCCC2)CC1 ZINC000521584670 1043415656 /nfs/dbraw/zinc/41/56/56/1043415656.db2.gz PSAAKEMZFFAEDO-LJQANCHMSA-N 0 3 335.536 4.075 20 30 EIEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1csc2ccccc21 ZINC000730024049 1043430458 /nfs/dbraw/zinc/43/04/58/1043430458.db2.gz ZXVGFRNNORHOBN-HUUCEWRRSA-N 0 3 328.481 4.141 20 30 EIEDHN CC(C)[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000010137313 1043731776 /nfs/dbraw/zinc/73/17/76/1043731776.db2.gz BOBRPEUZUFJODR-LJQANCHMSA-N 0 3 341.842 4.137 20 30 EIEDHN CCCCOc1ccc(CNCc2cccc(C#N)c2)cc1OCC ZINC000066972038 1043839004 /nfs/dbraw/zinc/83/90/04/1043839004.db2.gz UFISZELHNUJHHG-UHFFFAOYSA-N 0 3 338.451 4.426 20 30 EIEDHN COc1cccc([C@@H]2C[C@H](C)CN2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442831444 1043860266 /nfs/dbraw/zinc/86/02/66/1043860266.db2.gz ADTLVQUMCFIPRK-YWZLYKJASA-N 0 3 336.435 4.159 20 30 EIEDHN COc1cc(CN2CC[C@@H](CSc3ccccc3)C2)ccc1C#N ZINC000442883220 1043881002 /nfs/dbraw/zinc/88/10/02/1043881002.db2.gz GWOWCCQQCATAQI-QGZVFWFLSA-N 0 3 338.476 4.181 20 30 EIEDHN C=CCc1cc(OC)cc(CN2CCc3sccc3[C@@H]2C)c1O ZINC000732526595 1043947837 /nfs/dbraw/zinc/94/78/37/1043947837.db2.gz MDPJUQPOHRAJDY-ZDUSSCGKSA-N 0 3 329.465 4.310 20 30 EIEDHN COc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1Cl ZINC000732919418 1044034309 /nfs/dbraw/zinc/03/43/09/1044034309.db2.gz FNUGWDWQYIUAKT-ZDUSSCGKSA-N 0 3 330.815 4.102 20 30 EIEDHN C=CCC(CC=C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000675154488 1044054012 /nfs/dbraw/zinc/05/40/12/1044054012.db2.gz XGKHDXQYIQUCAL-FQEVSTJZSA-N 0 3 326.484 4.098 20 30 EIEDHN C#CCCOc1ccc(CNCc2ccccc2COC(C)C)cc1 ZINC000733322502 1044184311 /nfs/dbraw/zinc/18/43/11/1044184311.db2.gz JWVKLVFZBARAMP-UHFFFAOYSA-N 0 3 337.463 4.304 20 30 EIEDHN C=CC1CCN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1 ZINC000522083535 1044227132 /nfs/dbraw/zinc/22/71/32/1044227132.db2.gz AKEBETBEAJAFOI-UHFFFAOYSA-N 0 3 348.490 4.132 20 30 EIEDHN CSC[C@H](NCC1(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000430748153 1044278146 /nfs/dbraw/zinc/27/81/46/1044278146.db2.gz CEWJXQUUXCALJG-AWEZNQCLSA-N 0 3 328.403 4.393 20 30 EIEDHN C[C@H]1CCN(CCC(=O)Nc2sccc2C#N)[C@H](c2ccco2)C1 ZINC000174509970 1044284295 /nfs/dbraw/zinc/28/42/95/1044284295.db2.gz ZYIPPDSSVYBYGI-ZFWWWQNUSA-N 0 3 343.452 4.015 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734096240 1044473066 /nfs/dbraw/zinc/47/30/66/1044473066.db2.gz LJSKRPSMWQMAFC-IUOVYFEOSA-N 0 3 328.843 4.129 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734096240 1044473079 /nfs/dbraw/zinc/47/30/79/1044473079.db2.gz LJSKRPSMWQMAFC-IUOVYFEOSA-N 0 3 328.843 4.129 20 30 EIEDHN C=C[C@H](C)N[C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000675934458 1044576716 /nfs/dbraw/zinc/57/67/16/1044576716.db2.gz ZQXCOYCFHXEIQL-STQMWFEESA-N 0 3 346.496 4.285 20 30 EIEDHN N#Cc1ccc(CN[C@H](c2cccs2)C2CC2)c(OC(F)F)c1 ZINC000543439728 1044608761 /nfs/dbraw/zinc/60/87/61/1044608761.db2.gz ICTOTVPLALDNRD-INIZCTEOSA-N 0 3 334.391 4.462 20 30 EIEDHN C=CC[C@@H](CO)CN[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000495043130 1044610987 /nfs/dbraw/zinc/61/09/87/1044610987.db2.gz DFXGDEXOHBUBET-KUHUBIRLSA-N 0 3 333.834 4.343 20 30 EIEDHN C=CC[C@@H](CO)CN[C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000495072046 1044639200 /nfs/dbraw/zinc/63/92/00/1044639200.db2.gz ZMSGALFUPMDHFB-QRWLVFNGSA-N 0 3 345.870 4.212 20 30 EIEDHN C=CC[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000495139933 1044714098 /nfs/dbraw/zinc/71/40/98/1044714098.db2.gz NDOSSRQKOFOATH-RTWAWAEBSA-N 0 3 336.479 4.074 20 30 EIEDHN CCCCn1ncc(C(=O)C(C#N)c2ccc3ccccc3n2)c1C ZINC000676459036 1044747571 /nfs/dbraw/zinc/74/75/71/1044747571.db2.gz QTKJQASCUOVGQY-MRXNPFEDSA-N 0 3 332.407 4.030 20 30 EIEDHN C=C(CNCc1cc(Br)c(OC)s1)c1ccccc1 ZINC000676569289 1044794094 /nfs/dbraw/zinc/79/40/94/1044794094.db2.gz BRMFESOYMUSETP-UHFFFAOYSA-N 0 3 338.270 4.322 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc4ccccc43)nc21 ZINC000735790950 1044866308 /nfs/dbraw/zinc/86/63/08/1044866308.db2.gz GRGXWJHZSXCASU-GOSISDBHSA-N 0 3 339.398 4.444 20 30 EIEDHN C(#Cc1ccccc1)CNCc1ccc(-n2cnc3ccccc32)cc1 ZINC000736355747 1044928829 /nfs/dbraw/zinc/92/88/29/1044928829.db2.gz WRSLLFDPAAJVQW-UHFFFAOYSA-N 0 3 337.426 4.167 20 30 EIEDHN C=CCOc1cccc(CN[C@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000509428427 1045157464 /nfs/dbraw/zinc/15/74/64/1045157464.db2.gz DCQHIHDONOUFTN-IBGZPJMESA-N 0 3 327.399 4.176 20 30 EIEDHN N#Cc1ccc(-c2cccc(CNCc3ccc4c[nH]nc4c3)c2)s1 ZINC000740010759 1045176675 /nfs/dbraw/zinc/17/66/75/1045176675.db2.gz HESGDALNIPAVRU-UHFFFAOYSA-N 0 3 344.443 4.453 20 30 EIEDHN N#Cc1ccc(-c2cccc(CNCc3ccc(C#N)cc3)c2)s1 ZINC000740014259 1045179526 /nfs/dbraw/zinc/17/95/26/1045179526.db2.gz OXRITDDACFTIEE-UHFFFAOYSA-N 0 3 329.428 4.448 20 30 EIEDHN C=CC[C@@H](N[C@H](C)c1cc(OC)c(OC)cc1C)c1ccncc1 ZINC000766019121 1045217988 /nfs/dbraw/zinc/21/79/88/1045217988.db2.gz KDVWRPNEUKWOTH-CRAIPNDOSA-N 0 3 326.440 4.375 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1C ZINC000611252128 1045264827 /nfs/dbraw/zinc/26/48/27/1045264827.db2.gz IBGNEZDPXSZIGD-CYBMUJFWSA-N 0 3 339.395 4.298 20 30 EIEDHN N#Cc1ccc(OC2CCN(Cc3nccc4ccccc43)CC2)cc1 ZINC000611268873 1045272382 /nfs/dbraw/zinc/27/23/82/1045272382.db2.gz ZDJPJTFSXIFQLC-UHFFFAOYSA-N 0 3 343.430 4.150 20 30 EIEDHN N#Cc1cc(CN[C@H](CCc2ccccc2)c2ccccc2)ccn1 ZINC000611383246 1045292381 /nfs/dbraw/zinc/29/23/81/1045292381.db2.gz HWAODVBLXDYJLV-JOCHJYFZSA-N 0 3 327.431 4.417 20 30 EIEDHN C[C@@H](N[C@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000611465794 1045312915 /nfs/dbraw/zinc/31/29/15/1045312915.db2.gz UYHPYDIMBTUATR-FOIQADDNSA-N 0 3 348.425 4.065 20 30 EIEDHN C=CCOc1ccccc1CNC[C@H](c1ccco1)N1CCCCC1 ZINC000236675206 1045363491 /nfs/dbraw/zinc/36/34/91/1045363491.db2.gz PLROWWQCBVAVSR-LJQANCHMSA-N 0 3 340.467 4.161 20 30 EIEDHN CCC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000193629377 1045407907 /nfs/dbraw/zinc/40/79/07/1045407907.db2.gz GFDFJFJVTYOSHD-KRWDZBQOSA-N 0 3 341.842 4.281 20 30 EIEDHN CC(C)(C)[C@@H](NC[C@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168496208 1045416151 /nfs/dbraw/zinc/41/61/51/1045416151.db2.gz HBYZCAAVOOACEO-OALUTQOASA-N 0 3 344.405 4.247 20 30 EIEDHN Cc1cccc(NC(=O)C[C@H](C)NC2(c3cccc(C#N)c3)CC2)c1C ZINC000272337972 1045417677 /nfs/dbraw/zinc/41/76/77/1045417677.db2.gz ZGQTUKLLWVLXLK-INIZCTEOSA-N 0 3 347.462 4.171 20 30 EIEDHN C=C(C)COCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000322917421 1045502000 /nfs/dbraw/zinc/50/20/00/1045502000.db2.gz HEFHOKASSAQSPN-UHFFFAOYSA-N 0 3 341.295 4.407 20 30 EIEDHN CCOC(CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OCC ZINC000767825611 1045647128 /nfs/dbraw/zinc/64/71/28/1045647128.db2.gz RDGWGPDSNCBZNQ-INIZCTEOSA-N 0 3 338.451 4.275 20 30 EIEDHN C=CCOc1ccccc1CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000768227775 1045757448 /nfs/dbraw/zinc/75/74/48/1045757448.db2.gz ILSPBMVJHZQDAZ-QFIPXVFZSA-N 0 3 337.463 4.197 20 30 EIEDHN C=CCN(Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C(C)C ZINC000768547413 1045822560 /nfs/dbraw/zinc/82/25/60/1045822560.db2.gz LOXBHVOPCRJVFW-UHFFFAOYSA-N 0 3 330.472 4.381 20 30 EIEDHN COCCN(Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H](C)c1ccccc1 ZINC000768597274 1045825086 /nfs/dbraw/zinc/82/50/86/1045825086.db2.gz QVIZQVDDOLOCRO-ROUUACIJSA-N 0 3 338.451 4.187 20 30 EIEDHN N#CC(C(=O)CCCOc1ccc(F)cc1)c1nccc2ccccc21 ZINC000792100197 1045856240 /nfs/dbraw/zinc/85/62/40/1045856240.db2.gz KSQRDQJPDGRYTD-LJQANCHMSA-N 0 3 348.377 4.409 20 30 EIEDHN C=CCOc1ccc(CN[C@H](CCO)c2ccccc2)cc1Cl ZINC000077468343 1045949372 /nfs/dbraw/zinc/94/93/72/1045949372.db2.gz BVPREIYFQGUIMV-GOSISDBHSA-N 0 3 331.843 4.118 20 30 EIEDHN COc1ccc(C(C)=NNc2ccc(C)cc2)cc1CN1CCCC1 ZINC000916250293 1045972283 /nfs/dbraw/zinc/97/22/83/1045972283.db2.gz SILPFFPTSUUKNQ-UHFFFAOYSA-N 0 3 337.467 4.436 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(c3ccccc3F)CC2)cc1 ZINC000769467409 1045983328 /nfs/dbraw/zinc/98/33/28/1045983328.db2.gz TVVRVUDOBBIQLX-INIZCTEOSA-N 0 3 338.426 4.496 20 30 EIEDHN CCc1noc(C)c1[C@H](C)NCCSCc1ccccc1C#N ZINC000769873747 1046103198 /nfs/dbraw/zinc/10/31/98/1046103198.db2.gz IILIIGVMFGPSAV-ZDUSSCGKSA-N 0 3 329.469 4.001 20 30 EIEDHN C#CCCOc1ccc(CN(CCC(F)(F)F)CC2CC2)cc1 ZINC000770302629 1046175576 /nfs/dbraw/zinc/17/55/76/1046175576.db2.gz HXGITSNUGYCRQT-UHFFFAOYSA-N 0 3 325.374 4.253 20 30 EIEDHN C=CCSc1nc2ccccc2n1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000793522408 1046265982 /nfs/dbraw/zinc/26/59/82/1046265982.db2.gz PVTVIGOUXJRQMI-DOTOQJQBSA-N 0 3 349.450 4.249 20 30 EIEDHN C=C[C@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000126640122 1046510199 /nfs/dbraw/zinc/51/01/99/1046510199.db2.gz HERQPGYHRCQTAL-OAQYLSRUSA-N 0 3 348.490 4.081 20 30 EIEDHN N#Cc1sc(N[C@@H](CN2CCCCC2)c2ccccc2)nc1Cl ZINC000804499238 1046556840 /nfs/dbraw/zinc/55/68/40/1046556840.db2.gz ATZLVLJLKQUBJX-AWEZNQCLSA-N 0 3 346.887 4.307 20 30 EIEDHN COc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc(OC)c1C ZINC000080456561 1046619499 /nfs/dbraw/zinc/61/94/99/1046619499.db2.gz YHUALHYEZHLAOF-ZDUSSCGKSA-N 0 3 344.436 4.082 20 30 EIEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCCCCC1 ZINC000917077710 1046660818 /nfs/dbraw/zinc/66/08/18/1046660818.db2.gz QXBKTTXBSWAMQS-HNNXBMFYSA-N 0 3 341.480 4.127 20 30 EIEDHN COc1cccc2cc(CN(Cc3ccc(C#N)cc3)C3CC3)oc21 ZINC000917175917 1046806828 /nfs/dbraw/zinc/80/68/28/1046806828.db2.gz NYMUJSWCSLQQRA-UHFFFAOYSA-N 0 3 332.403 4.478 20 30 EIEDHN N#CC(C(=O)CCC1CCCCC1)C(=O)NCc1cccc(Cl)c1 ZINC000786535062 1046845941 /nfs/dbraw/zinc/84/59/41/1046845941.db2.gz OFXBDCBVQKECBW-QGZVFWFLSA-N 0 3 346.858 4.026 20 30 EIEDHN Cc1cc(Br)cc2c1[C@H](NCc1ccc(C#N)cc1)CC2 ZINC000786790564 1046870565 /nfs/dbraw/zinc/87/05/65/1046870565.db2.gz AAUHYELXMDFJRW-QGZVFWFLSA-N 0 3 341.252 4.406 20 30 EIEDHN COCc1cc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000787034671 1046895783 /nfs/dbraw/zinc/89/57/83/1046895783.db2.gz TWUZZMGYZMJLLL-VBKZILBWSA-N 0 3 336.435 4.051 20 30 EIEDHN C[C@@H](NCc1ccc(OCc2ccccn2)cc1)c1cccc(C#N)c1 ZINC000537295013 1047076527 /nfs/dbraw/zinc/07/65/27/1047076527.db2.gz FVWFUAAJCTUDSY-QGZVFWFLSA-N 0 3 343.430 4.383 20 30 EIEDHN C[C@H](NCc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000537405640 1047199903 /nfs/dbraw/zinc/19/99/03/1047199903.db2.gz RNPIOOSJOVIROK-NSHDSACASA-N 0 3 333.204 4.311 20 30 EIEDHN C#CCCN[C@@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000760297786 1047254470 /nfs/dbraw/zinc/25/44/70/1047254470.db2.gz VWKSHKOJQQDYRN-SFHVURJKSA-N 0 3 344.252 4.160 20 30 EIEDHN N#CCCC[C@H](N)C(=O)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000424110224 1047313494 /nfs/dbraw/zinc/31/34/94/1047313494.db2.gz CGFZEHKIGXUKKX-NRFANRHFSA-N 0 3 349.478 4.132 20 30 EIEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)c1nccn1-c1ccccc1 ZINC000806619103 1047329313 /nfs/dbraw/zinc/32/93/13/1047329313.db2.gz XSKVGDNKSPBUIB-UYAOXDASSA-N 0 3 329.447 4.158 20 30 EIEDHN CC[C@@H](N[C@H](CCC(=O)OC)c1ccccc1)c1ccc(C#N)cc1 ZINC000556078431 1047436842 /nfs/dbraw/zinc/43/68/42/1047436842.db2.gz LQMPEVQAWZEYCD-WOJBJXKFSA-N 0 3 336.435 4.293 20 30 EIEDHN CN(CCC#N)c1ccc(C=NN2CCC(C(C)(C)C)CC2)cc1 ZINC000790181686 1047531233 /nfs/dbraw/zinc/53/12/33/1047531233.db2.gz UJLVMSGEYNRONQ-UHFFFAOYSA-N 0 3 326.488 4.128 20 30 EIEDHN CC(C)(C)[C@@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000550706297 1047822818 /nfs/dbraw/zinc/82/28/18/1047822818.db2.gz CUOYFYVMTJXGSS-FQEVSTJZSA-N 0 3 340.442 4.107 20 30 EIEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC000814249117 1047916548 /nfs/dbraw/zinc/91/65/48/1047916548.db2.gz IXUYUHZDGVXWQM-HZPDHXFCSA-N 0 3 349.434 4.317 20 30 EIEDHN N#Cc1ccccc1O[C@@H]1CCCN(Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985803 1048032787 /nfs/dbraw/zinc/03/27/87/1048032787.db2.gz WFCBSPAQNYFLFT-QGZVFWFLSA-N 0 3 349.409 4.222 20 30 EIEDHN C#CCOc1ccccc1CN[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000808707239 1048052458 /nfs/dbraw/zinc/05/24/58/1048052458.db2.gz IUEZHWMKNYXMDV-HXUWFJFHSA-N 0 3 330.431 4.347 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2ccsc2C)ccc1OC ZINC000815126123 1048337444 /nfs/dbraw/zinc/33/74/44/1048337444.db2.gz HIKNHQXFHZAEPA-MRXNPFEDSA-N 0 3 330.453 4.036 20 30 EIEDHN CC(C)(C)Oc1ccc([C@H]2CCN(Cc3ccc(C#N)cn3)C2)cc1 ZINC001144169322 1048483269 /nfs/dbraw/zinc/48/32/69/1048483269.db2.gz FSNQZMPPXMGHNZ-SFHVURJKSA-N 0 3 335.451 4.120 20 30 EIEDHN C[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C(C)(F)F ZINC000815913725 1048641045 /nfs/dbraw/zinc/64/10/45/1048641045.db2.gz ZFDXBBOIYWORAI-VXNVDRBHSA-N 0 3 328.771 4.417 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cncc3ccccc32)c1 ZINC000772920975 1048658255 /nfs/dbraw/zinc/65/82/55/1048658255.db2.gz LKWWWQYTSQVDGM-LJQANCHMSA-N 0 3 331.419 4.206 20 30 EIEDHN CCOC(=O)c1cccc(NC(=N)c2ccc3cc(O)ccc3c2)c1C ZINC001171182769 1048674002 /nfs/dbraw/zinc/67/40/02/1048674002.db2.gz SJTYDZBWHIILHC-UHFFFAOYSA-N 0 3 348.402 4.068 20 30 EIEDHN C[C@H](N)c1ncc(-c2ccccc2)n1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171193679 1048697691 /nfs/dbraw/zinc/69/76/91/1048697691.db2.gz YCUXUJUEHVHUCA-HOTGVXAUSA-N 0 3 330.435 4.245 20 30 EIEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Br)nc1 ZINC000810237821 1048718830 /nfs/dbraw/zinc/71/88/30/1048718830.db2.gz KIMIDOKKHWHYAS-ZBEGNZNMSA-N 0 3 342.240 4.054 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)N(C)Cc1ncccc1C(F)(F)F ZINC001171211450 1048809559 /nfs/dbraw/zinc/80/95/59/1048809559.db2.gz ZUGMRLXRHRZFKF-ZDUSSCGKSA-N 0 3 333.357 4.035 20 30 EIEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000218034763 1048836700 /nfs/dbraw/zinc/83/67/00/1048836700.db2.gz ZSEZFNQRSCHRJM-PBHICJAKSA-N 0 3 347.890 4.112 20 30 EIEDHN C=CCc1cc(CN[C@@H](C)c2ccc(C)nc2C)cc(OC)c1OC ZINC000772948271 1048885925 /nfs/dbraw/zinc/88/59/25/1048885925.db2.gz VTPCLBIZQFVXDM-HNNXBMFYSA-N 0 3 340.467 4.295 20 30 EIEDHN CN(C)[C@@H]1CCOc2c(Nc3ccc(C4(C#N)CC4)cc3)cccc21 ZINC001212259935 1049093770 /nfs/dbraw/zinc/09/37/70/1049093770.db2.gz BYPVTHYSRXTHTM-LJQANCHMSA-N 0 3 333.435 4.371 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2oc(C)cc2C)cc1 ZINC000175108232 1049116168 /nfs/dbraw/zinc/11/61/68/1049116168.db2.gz ZSJFAOKQVXHBNN-KRWDZBQOSA-N 0 3 338.407 4.200 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2oc(C)cc2C)cc1 ZINC000175108246 1049116904 /nfs/dbraw/zinc/11/69/04/1049116904.db2.gz ZSJFAOKQVXHBNN-QGZVFWFLSA-N 0 3 338.407 4.200 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCc3ccc(OC)cc32)c1 ZINC000772981774 1049165828 /nfs/dbraw/zinc/16/58/28/1049165828.db2.gz AYJGNIDTHFEWLA-LAUBAEHRSA-N 0 3 336.435 4.153 20 30 EIEDHN N#Cc1c(CN2CC[C@@H](Cc3ccc(F)cc3)C2)cn2ccccc12 ZINC000609916557 1049393652 /nfs/dbraw/zinc/39/36/52/1049393652.db2.gz XTMFRJLEEYZVCK-KRWDZBQOSA-N 0 3 333.410 4.015 20 30 EIEDHN COc1ccc(C(C)N=Nc2ccccc2F)cc1CN1CCCC1 ZINC000812459563 1049480095 /nfs/dbraw/zinc/48/00/95/1049480095.db2.gz AVUHYVZQUCBEKF-UHFFFAOYSA-N 0 3 341.430 4.266 20 30 EIEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncc(C#N)c2ccsc21 ZINC001170680606 1049514462 /nfs/dbraw/zinc/51/44/62/1049514462.db2.gz BGAHEILIKJBRJG-LBPRGKRZSA-N 0 3 345.431 4.040 20 30 EIEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCC1CC1 ZINC000813060250 1049667529 /nfs/dbraw/zinc/66/75/29/1049667529.db2.gz TUVNQMBXHKECSD-QGZVFWFLSA-N 0 3 326.440 4.039 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCC2CC2)cc1 ZINC000813060218 1049667635 /nfs/dbraw/zinc/66/76/35/1049667635.db2.gz SQSRXFDVJJGLLG-KBXCAEBGSA-N 0 3 326.440 4.428 20 30 EIEDHN CC(C)(C#N)c1ccc(CN2CC3(CCCC3)OC(C)(C)C2)cc1 ZINC000615468631 1049700404 /nfs/dbraw/zinc/70/04/04/1049700404.db2.gz ODNCZPHXPBFALB-UHFFFAOYSA-N 0 3 326.484 4.411 20 30 EIEDHN N#CC(C(=O)c1cccc2cc[nH]c21)c1cc(C(F)(F)F)ccn1 ZINC000813212606 1049707451 /nfs/dbraw/zinc/70/74/51/1049707451.db2.gz DGIHZPDKUFDPMN-ZDUSSCGKSA-N 0 3 329.281 4.072 20 30 EIEDHN N#C[C@H]1CCN(C2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001171654603 1049771124 /nfs/dbraw/zinc/77/11/24/1049771124.db2.gz YJOMAHASLAGKHI-BZOOQXSSSA-N 0 3 333.273 4.321 20 30 EIEDHN C=CC[C@H]1CCCN(CC(=O)N[C@H](CC)c2ccc(Cl)cc2)C1 ZINC001171842148 1049812691 /nfs/dbraw/zinc/81/26/91/1049812691.db2.gz ZLASBTWCSJZVAS-MAUKXSAKSA-N 0 3 334.891 4.195 20 30 EIEDHN COC(=O)c1cc2cc(CNC(C)(C)c3cccc(C#N)c3)ccc2o1 ZINC001171911652 1049818831 /nfs/dbraw/zinc/81/88/31/1049818831.db2.gz TXABHJCUUITHMP-UHFFFAOYSA-N 0 3 348.402 4.116 20 30 EIEDHN C=CCN1CCC(NC(=O)[C@@H]2CC23CCC(C(C)(C)CC)CC3)CC1 ZINC001136669733 1049821440 /nfs/dbraw/zinc/82/14/40/1049821440.db2.gz MVZBOSASIPDTDU-OZWAEMERSA-N 0 3 346.559 4.386 20 30 EIEDHN CN(Cc1cccs1)c1ccc(CN2CCC(C#N)CC2)cc1 ZINC000823423738 1049849653 /nfs/dbraw/zinc/84/96/53/1049849653.db2.gz NWLLVWVRURIXOQ-UHFFFAOYSA-N 0 3 325.481 4.120 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001172295171 1049882141 /nfs/dbraw/zinc/88/21/41/1049882141.db2.gz BDVKGQWUEGUNEU-CVEARBPZSA-N 0 3 330.435 4.245 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1ccc(F)cc1Br ZINC001172298057 1049883046 /nfs/dbraw/zinc/88/30/46/1049883046.db2.gz UNZBUSACSGNLGF-GFCCVEGCSA-N 0 3 347.231 4.181 20 30 EIEDHN C[C@@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1cccc(C#N)c1 ZINC000181596518 1050236318 /nfs/dbraw/zinc/23/63/18/1050236318.db2.gz XJIGLYHIPDRNHK-OAHLLOKOSA-N 0 3 345.402 4.254 20 30 EIEDHN C[C@H](Cc1ccc(OC(F)(F)F)cc1)NCC1(C#N)CCCC1 ZINC001173075227 1050290022 /nfs/dbraw/zinc/29/00/22/1050290022.db2.gz YRDXPBPZFIZLTP-CYBMUJFWSA-N 0 3 326.362 4.190 20 30 EIEDHN C=CCOC1CCC(N(C)[C@@H](CCC)C(=O)c2ccccc2)CC1 ZINC001173322721 1050414635 /nfs/dbraw/zinc/41/46/35/1050414635.db2.gz JWMAJKRJWWNLIB-MHJFOBGBSA-N 0 3 329.484 4.484 20 30 EIEDHN C=CCOC1CCC(N2CCO[C@](C)(c3ccc(C)cc3)C2)CC1 ZINC001173326667 1050418615 /nfs/dbraw/zinc/41/86/15/1050418615.db2.gz MJJUHRDIMKIFTI-CBNMVNINSA-N 0 3 329.484 4.056 20 30 EIEDHN N#CCC1CCC(NCC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001173328676 1050420980 /nfs/dbraw/zinc/42/09/80/1050420980.db2.gz JJCQRGMZZUNLFG-UHFFFAOYSA-N 0 3 342.336 4.089 20 30 EIEDHN C=C(C)[C@H](NCCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC000775071447 1050463595 /nfs/dbraw/zinc/46/35/95/1050463595.db2.gz AIOFZXIFYWKUIE-INIZCTEOSA-N 0 3 340.414 4.086 20 30 EIEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(OC(F)F)cc1 ZINC000618802271 1050520038 /nfs/dbraw/zinc/52/00/38/1050520038.db2.gz HRAAKQSLBXTAJM-SGTLLEGYSA-N 0 3 328.362 4.498 20 30 EIEDHN CC1(C)C[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000618988320 1050621178 /nfs/dbraw/zinc/62/11/78/1050621178.db2.gz PILCPRGIAALSPN-WOJBJXKFSA-N 0 3 347.418 4.466 20 30 EIEDHN N#Cc1ccccc1N1CCC(NCc2c(F)cccc2Cl)CC1 ZINC001179303873 1050667061 /nfs/dbraw/zinc/66/70/61/1050667061.db2.gz BXYDFIZGIJOYKO-UHFFFAOYSA-N 0 3 343.833 4.109 20 30 EIEDHN Cc1ccc(CNCc2cccc(Oc3ccccn3)c2)cc1C#N ZINC001179562645 1050717105 /nfs/dbraw/zinc/71/71/05/1050717105.db2.gz JTSNCVLHABCJFM-UHFFFAOYSA-N 0 3 329.403 4.344 20 30 EIEDHN N#Cc1ccc(CN2CCC(Nc3cccc4ncccc43)CC2)cc1 ZINC000182542290 1050737425 /nfs/dbraw/zinc/73/74/25/1050737425.db2.gz NXYLIOKBMNHQEV-UHFFFAOYSA-N 0 3 342.446 4.183 20 30 EIEDHN C[C@@H](NCc1ccc(OCc2ccccn2)cc1)c1ccc(C#N)cc1 ZINC000070693821 1050814228 /nfs/dbraw/zinc/81/42/28/1050814228.db2.gz UALRTSYJNQZSRI-QGZVFWFLSA-N 0 3 343.430 4.383 20 30 EIEDHN COCCOc1ccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619754820 1050882520 /nfs/dbraw/zinc/88/25/20/1050882520.db2.gz LISSGHJPIQAZQS-AWEZNQCLSA-N 0 3 344.842 4.088 20 30 EIEDHN COc1cc2c(cc1OC)[C@H](NCc1ccc(C#N)c(Cl)c1)CC2 ZINC000619754879 1050885323 /nfs/dbraw/zinc/88/53/23/1050885323.db2.gz NQTADRUITLSQLZ-QGZVFWFLSA-N 0 3 342.826 4.006 20 30 EIEDHN N#Cc1ccc(CN2CCCC[C@@H]2Cc2ccc(F)cc2)c(F)c1 ZINC001180183356 1050894443 /nfs/dbraw/zinc/89/44/43/1050894443.db2.gz CBQPHUCURBYFTP-LJQANCHMSA-N 0 3 326.390 4.434 20 30 EIEDHN CCCCCN(CC(=O)Nc1ccccc1SCC#N)C(C)C ZINC000152952336 1050906944 /nfs/dbraw/zinc/90/69/44/1050906944.db2.gz RXPIQZXVYWMNTO-UHFFFAOYSA-N 0 3 333.501 4.141 20 30 EIEDHN CCCN1CCc2c(N)sc(Nc3ccc(Cl)c(C#N)c3)c2C1 ZINC001174403664 1050909724 /nfs/dbraw/zinc/90/97/24/1050909724.db2.gz URKQSVCBECNXLM-UHFFFAOYSA-N 0 3 346.887 4.367 20 30 EIEDHN Cc1cc(N2CCN(C)CC2)ccc1Nc1ccc(Cl)c(C#N)c1 ZINC001174402928 1050921891 /nfs/dbraw/zinc/92/18/91/1050921891.db2.gz BBYGFRJOKGYNDA-UHFFFAOYSA-N 0 3 340.858 4.016 20 30 EIEDHN Cc1ccc(CC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)o1 ZINC000775225878 1050928000 /nfs/dbraw/zinc/92/80/00/1050928000.db2.gz BSIVHCKEININET-GFCCVEGCSA-N 0 3 330.796 4.270 20 30 EIEDHN CCCCC[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000775320104 1051061589 /nfs/dbraw/zinc/06/15/89/1051061589.db2.gz MJZXRXAHDQFSCF-OAQYLSRUSA-N 0 3 349.478 4.086 20 30 EIEDHN C[C@@H](NCc1ccc(SC(=O)N(C)C)cc1)c1cccc(C#N)c1 ZINC000775335537 1051090164 /nfs/dbraw/zinc/09/01/64/1051090164.db2.gz LUZRYPRPYGQNHV-CQSZACIVSA-N 0 3 339.464 4.183 20 30 EIEDHN C=CCN(CC(=O)N[C@H](c1ccccc1)C1CCCC1)C(C)(C)C ZINC001174643035 1051096947 /nfs/dbraw/zinc/09/69/47/1051096947.db2.gz ZQWXUDSEDCZCIK-HXUWFJFHSA-N 0 3 328.500 4.321 20 30 EIEDHN C[C@H](C#N)OCCN1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001174758108 1051179998 /nfs/dbraw/zinc/17/99/98/1051179998.db2.gz ACFFQVHIWPSNMU-PBHICJAKSA-N 0 3 340.389 4.031 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CC2CCCC2)c1 ZINC001190572218 1051217882 /nfs/dbraw/zinc/21/78/82/1051217882.db2.gz SJVNXKDGXIKMIJ-SFHVURJKSA-N 0 3 341.499 4.061 20 30 EIEDHN C#CC[C@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC000775400249 1051235804 /nfs/dbraw/zinc/23/58/04/1051235804.db2.gz NKJAMVAHRDQFIS-FQEVSTJZSA-N 0 3 335.447 4.496 20 30 EIEDHN Brc1ccc(/C=C/CNCC#Cc2ccccc2)cc1 ZINC001181970977 1051372992 /nfs/dbraw/zinc/37/29/92/1051372992.db2.gz HCNSANSVGZHUCQ-WEVVVXLNSA-N 0 3 326.237 4.104 20 30 EIEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000155403020 1051414618 /nfs/dbraw/zinc/41/46/18/1051414618.db2.gz LGJNYORKRKWBGD-SECBINFHSA-N 0 3 326.208 4.004 20 30 EIEDHN Cc1ccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000155442031 1051419868 /nfs/dbraw/zinc/41/98/68/1051419868.db2.gz SPQMRQOROURZJI-MRXNPFEDSA-N 0 3 333.416 4.364 20 30 EIEDHN CN(C)[C@@H](C/N=C/c1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000183872850 1051574470 /nfs/dbraw/zinc/57/44/70/1051574470.db2.gz RYERJDHHJIIBTH-RSFOSLOZSA-N 0 3 336.357 4.133 20 30 EIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774569084 1051779644 /nfs/dbraw/zinc/77/96/44/1051779644.db2.gz XCFIMKRLEGUCKB-LJQANCHMSA-N 0 3 331.843 4.070 20 30 EIEDHN C[C@]1(c2ccccc2)CC[C@@H](N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001184046065 1051943845 /nfs/dbraw/zinc/94/38/45/1051943845.db2.gz SGWPLNCCTZWWRH-ZLNRFVROSA-N 0 3 346.474 4.442 20 30 EIEDHN CC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC001176218276 1051960438 /nfs/dbraw/zinc/96/04/38/1051960438.db2.gz ORUAPLRUNWKTIH-OAQYLSRUSA-N 0 3 343.430 4.391 20 30 EIEDHN CCCOc1ccc(CNCc2cccc(O[C@@H](C#N)CC)c2)cc1 ZINC000073011971 1052671125 /nfs/dbraw/zinc/67/11/25/1052671125.db2.gz WRDUDKQCEVZWGY-LJQANCHMSA-N 0 3 338.451 4.446 20 30 EIEDHN CCCOc1cccc(CNCc2cccc(O[C@@H](C#N)CC)c2)c1 ZINC000073012035 1052671763 /nfs/dbraw/zinc/67/17/63/1052671763.db2.gz NBYYTJQSEBCQPM-LJQANCHMSA-N 0 3 338.451 4.446 20 30 EIEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@@]3(CCSC3)C2)cc1 ZINC001195094590 1053271976 /nfs/dbraw/zinc/27/19/76/1053271976.db2.gz STIYKXWLHVOEHY-QGZVFWFLSA-N 0 3 339.426 4.276 20 30 EIEDHN C=CCC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccco1 ZINC000850568278 1053323447 /nfs/dbraw/zinc/32/34/47/1053323447.db2.gz UNWNQPDWOOFSRB-FQEVSTJZSA-N 0 3 340.467 4.038 20 30 EIEDHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001195277095 1053354795 /nfs/dbraw/zinc/35/47/95/1053354795.db2.gz DUYUGURMEQWQHA-RDJZCZTQSA-N 0 3 347.890 4.297 20 30 EIEDHN C[C@]1(Cc2ccc(F)cc2)CCCN1Cc1ccc(F)cc1C#N ZINC001195289590 1053364868 /nfs/dbraw/zinc/36/48/68/1053364868.db2.gz PKPSUHWTODXSLB-HXUWFJFHSA-N 0 3 326.390 4.434 20 30 EIEDHN N#CC(C(=O)CC[C@@H]1CC1(Cl)Cl)c1nccc2ccccc21 ZINC000850985165 1053397392 /nfs/dbraw/zinc/39/73/92/1053397392.db2.gz GDCDRDLFEBMGQL-OCCSQVGLSA-N 0 3 333.218 4.385 20 30 EIEDHN Cc1cc(OC(=O)C2(C)CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000765092541 1053436987 /nfs/dbraw/zinc/43/69/87/1053436987.db2.gz YVSUKFMRZOXQEF-UHFFFAOYSA-N 0 3 348.446 4.074 20 30 EIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(Br)cc2)cc1 ZINC000765402901 1053533588 /nfs/dbraw/zinc/53/35/88/1053533588.db2.gz YFAAYYWIYHIXTJ-CQSZACIVSA-N 0 3 344.252 4.312 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000853094296 1053642927 /nfs/dbraw/zinc/64/29/27/1053642927.db2.gz APTUSFYPQHEARQ-HZPDHXFCSA-N 0 3 336.435 4.153 20 30 EIEDHN CN(CCCCOc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC001196827873 1053783573 /nfs/dbraw/zinc/78/35/73/1053783573.db2.gz BTMYPFPNOIOVRY-PBHICJAKSA-N 0 3 340.389 4.488 20 30 EIEDHN C=CC[C@@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccncc1 ZINC000765612708 1053810918 /nfs/dbraw/zinc/81/09/18/1053810918.db2.gz JIJQRILDPLWBHM-LJQANCHMSA-N 0 3 338.451 4.444 20 30 EIEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1cc(C#N)ccc1F ZINC000552271053 1053845489 /nfs/dbraw/zinc/84/54/89/1053845489.db2.gz PKGZEMXPUHLLRH-IOMROCGXSA-N 0 3 338.426 4.138 20 30 EIEDHN N#Cc1cc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)ccc1F ZINC000121778836 1053847219 /nfs/dbraw/zinc/84/72/19/1053847219.db2.gz LLSPOUMBOVUFHF-HKUYNNGSSA-N 0 3 342.414 4.159 20 30 EIEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000113317313 1053916630 /nfs/dbraw/zinc/91/66/30/1053916630.db2.gz WTONIKQASMRAMT-AWEZNQCLSA-N 0 3 331.362 4.151 20 30 EIEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000113315384 1053917327 /nfs/dbraw/zinc/91/73/27/1053917327.db2.gz BHCXELWMTONJGS-HNNXBMFYSA-N 0 3 327.399 4.087 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(F)cc2)ccc1OC ZINC000113308825 1053918339 /nfs/dbraw/zinc/91/83/39/1053918339.db2.gz GTTWPFVREAYEKU-KSSFIOAISA-N 0 3 342.414 4.366 20 30 EIEDHN CC#CCN1CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001197587692 1053948684 /nfs/dbraw/zinc/94/86/84/1053948684.db2.gz DDQXAZYESCCPLU-MJGOQNOKSA-N 0 3 348.531 4.195 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(SC)cc2)c1 ZINC000113960777 1054033832 /nfs/dbraw/zinc/03/38/32/1054033832.db2.gz SOTVSWQNHUFGCV-KRWDZBQOSA-N 0 3 326.465 4.379 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccccc2)C[C@@H](O)c2cccs2)cc1 ZINC000123456453 1054149458 /nfs/dbraw/zinc/14/94/58/1054149458.db2.gz XIVKACYOGMYCSW-HXUWFJFHSA-N 0 3 348.471 4.356 20 30 EIEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](CO)c2ccccc2)cc1 ZINC000123663548 1054219707 /nfs/dbraw/zinc/21/97/07/1054219707.db2.gz HTBZLAVXDFUQIF-HNAYVOBHSA-N 0 3 331.843 4.202 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc3cc[nH]c3c2)ccc1OC ZINC000858136107 1054421703 /nfs/dbraw/zinc/42/17/03/1054421703.db2.gz IKRTWZLEBDKLDC-GOSISDBHSA-N 0 3 349.434 4.147 20 30 EIEDHN C#CCCOc1ccc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776014457 1054439588 /nfs/dbraw/zinc/43/95/88/1054439588.db2.gz RTFXJXFOCHCEII-PBHICJAKSA-N 0 3 325.374 4.252 20 30 EIEDHN CN(C)c1ccc(C2CCN(Cc3cc(C#N)cs3)CC2)cc1 ZINC000776013858 1054445908 /nfs/dbraw/zinc/44/59/08/1054445908.db2.gz JIVRZVOOIOZAEZ-UHFFFAOYSA-N 0 3 325.481 4.065 20 30 EIEDHN C#C[C@H]1CC[C@H](NCc2csc(COc3ccccc3)n2)CC1 ZINC000873198556 1054506573 /nfs/dbraw/zinc/50/65/73/1054506573.db2.gz POVQJDNWTPJNBP-WKILWMFISA-N 0 3 326.465 4.004 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000124969485 1054655034 /nfs/dbraw/zinc/65/50/34/1054655034.db2.gz VQYYJPLSYJUKCK-LBPRGKRZSA-N 0 3 334.341 4.436 20 30 EIEDHN CCCCCCCCN1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001201804387 1054910767 /nfs/dbraw/zinc/91/07/67/1054910767.db2.gz JFAMNULJSMGXNK-UHFFFAOYSA-N 0 3 334.552 4.244 20 30 EIEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC000876630327 1054939011 /nfs/dbraw/zinc/93/90/11/1054939011.db2.gz XFIHGSLMSQHAHC-JSGCOSHPSA-N 0 3 326.893 4.294 20 30 EIEDHN CCCCCCCOc1cccc(CN2CC[C@H](n3cncn3)C2)c1 ZINC000777220498 1054994051 /nfs/dbraw/zinc/99/40/51/1054994051.db2.gz IRBDDAOXDGJECA-IBGZPJMESA-N 0 3 342.487 4.074 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc3ccccc3n2C)c1 ZINC000877047160 1055005139 /nfs/dbraw/zinc/00/51/39/1055005139.db2.gz YMDMOQAONOFIDQ-IBGZPJMESA-N 0 3 333.435 4.149 20 30 EIEDHN C#CCCCCCCN[C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000877148780 1055028890 /nfs/dbraw/zinc/02/88/90/1055028890.db2.gz VCMNELCJVPNBKE-KRWDZBQOSA-N 0 3 326.444 4.002 20 30 EIEDHN CCCOc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000777260630 1055077649 /nfs/dbraw/zinc/07/76/49/1055077649.db2.gz HYHKGLJQYYJAMA-UHFFFAOYSA-N 0 3 349.478 4.424 20 30 EIEDHN CCCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000877900903 1055147897 /nfs/dbraw/zinc/14/78/97/1055147897.db2.gz YCNLHFVYQNNYRQ-JOCHJYFZSA-N 0 3 334.463 4.339 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(C)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000877902893 1055149819 /nfs/dbraw/zinc/14/98/19/1055149819.db2.gz HVKCIQFAWDGFHB-XZOQPEGZSA-N 0 3 346.474 4.436 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(C)[C@H](C)Cc1ccc(C)cc1)c1ccccc1 ZINC000878120780 1055192089 /nfs/dbraw/zinc/19/20/89/1055192089.db2.gz PGLSVHYKFCWZOH-AUSIDOKSSA-N 0 3 348.490 4.299 20 30 EIEDHN Cc1nc(C)c([C@@H](C)N(C)CCCOc2ccc(C#N)cc2)s1 ZINC000106874926 1055196685 /nfs/dbraw/zinc/19/66/85/1055196685.db2.gz XGMXYSYCZMTBGH-CQSZACIVSA-N 0 3 329.469 4.094 20 30 EIEDHN C#CCCCCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000878249998 1055220825 /nfs/dbraw/zinc/22/08/25/1055220825.db2.gz WOODZFZICQFTKK-MRXNPFEDSA-N 0 3 325.456 4.130 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccccc1 ZINC000112515237 1055231450 /nfs/dbraw/zinc/23/14/50/1055231450.db2.gz BGYPESRPBYKHOF-HOTGVXAUSA-N 0 3 328.481 4.002 20 30 EIEDHN C=C(C)COc1cc(CNCc2ccccc2COC)ccc1OC ZINC000127271044 1055369805 /nfs/dbraw/zinc/36/98/05/1055369805.db2.gz WBBDBLLSVWUTST-UHFFFAOYSA-N 0 3 341.451 4.086 20 30 EIEDHN N#Cc1cccc(OC2CCN(Cc3ccc4occc4c3)CC2)c1 ZINC000347636655 1055748463 /nfs/dbraw/zinc/74/84/63/1055748463.db2.gz JWHGTJSFEFYXBH-UHFFFAOYSA-N 0 3 332.403 4.348 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000302111344 1056019300 /nfs/dbraw/zinc/01/93/00/1056019300.db2.gz POMHURHUFDCUOM-MRXNPFEDSA-N 0 3 347.462 4.398 20 30 EIEDHN C[C@@H](NCc1cc(F)cc(Br)c1)c1ccc(C#N)cc1 ZINC000091436978 1056134289 /nfs/dbraw/zinc/13/42/89/1056134289.db2.gz JDJJJLWZAJKOJF-LLVKDONJSA-N 0 3 333.204 4.311 20 30 EIEDHN COc1ccc(CN[C@H](C)c2ccc(-c3ccncc3)cc2)cc1C#N ZINC000072742499 1056465486 /nfs/dbraw/zinc/46/54/86/1056465486.db2.gz HCAGTKZLHTVBCI-MRXNPFEDSA-N 0 3 343.430 4.480 20 30 EIEDHN N#Cc1ccc(CNCCc2cccc(OCc3ccccc3)c2)o1 ZINC000153843998 1056553128 /nfs/dbraw/zinc/55/31/28/1056553128.db2.gz BJAWMPFSOBTHLJ-UHFFFAOYSA-N 0 3 332.403 4.063 20 30 EIEDHN N#CCCCCN(Cc1cc(Br)ccc1F)C1CC1 ZINC000338735746 1056656585 /nfs/dbraw/zinc/65/65/85/1056656585.db2.gz GDJHJRWURSGESU-UHFFFAOYSA-N 0 3 325.225 4.246 20 30 EIEDHN COc1ccc(CNCc2cc(C)cc3c(C)c(C)[nH]c32)cc1C#N ZINC000742370489 1058596398 /nfs/dbraw/zinc/59/63/98/1058596398.db2.gz WXTUUHQBGHAHMF-UHFFFAOYSA-N 0 3 333.435 4.263 20 30 EIEDHN CCCCCCCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000742964096 1058822834 /nfs/dbraw/zinc/82/28/34/1058822834.db2.gz XHLJZPSGEYAULX-LJQANCHMSA-N 0 3 330.516 4.470 20 30 EIEDHN N#CC(C(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccc2ccccc2n1 ZINC000744015702 1059216420 /nfs/dbraw/zinc/21/64/20/1059216420.db2.gz AXXUXTKUUPEXPL-LTMIRXACSA-N 0 3 338.410 4.315 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)c2ccco2)cc1 ZINC000744030082 1059216981 /nfs/dbraw/zinc/21/69/81/1059216981.db2.gz ZHSRDYXTGXOVIK-PBHICJAKSA-N 0 3 338.407 4.073 20 30 EIEDHN N#CC(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc2ccccc2n1 ZINC000744015056 1059221911 /nfs/dbraw/zinc/22/19/11/1059221911.db2.gz FERNQLRRLFGZBS-UAGQMJEPSA-N 0 3 348.352 4.493 20 30 EIEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccco1 ZINC000744061825 1059237390 /nfs/dbraw/zinc/23/73/90/1059237390.db2.gz PRIUHFWGKXEQCQ-SWLSCSKDSA-N 0 3 347.399 4.255 20 30 EIEDHN C=C(C)[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001169471787 1060833630 /nfs/dbraw/zinc/83/36/30/1060833630.db2.gz BTMYUNNYFYOBLA-GOSISDBHSA-N 0 3 348.349 4.159 20 30 EIEDHN C=CCCCC(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 ZINC000175682559 1032436051 /nfs/dbraw/zinc/43/60/51/1032436051.db2.gz MOXVEWFUVOMZKF-UHFFFAOYSA-N 0 3 332.513 4.192 20 30 EIEDHN C=CCCCCCN(C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000533288564 1032601947 /nfs/dbraw/zinc/60/19/47/1032601947.db2.gz OPRQJBMBLRPQRY-SJORKVTESA-N 0 3 334.529 4.478 20 30 EIEDHN Cc1nc2ccc(Nc3cc(C(F)(F)F)c(C#N)cc3N)cc2[nH]1 ZINC001213077085 1032731522 /nfs/dbraw/zinc/73/15/22/1032731522.db2.gz DSOKSXXWIOGZNP-UHFFFAOYSA-N 0 3 331.301 4.088 20 30 EIEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1ccc(C#N)cc1F ZINC000533446300 1032776209 /nfs/dbraw/zinc/77/62/09/1032776209.db2.gz RKSRASLCTZDKHI-SGTLLEGYSA-N 0 3 332.806 4.217 20 30 EIEDHN C=CC[C@H](C)N[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000116907824 1018824863 /nfs/dbraw/zinc/82/48/63/1018824863.db2.gz NZDCDZITPLNMLQ-JXFKEZNVSA-N 0 3 338.451 4.319 20 30 EIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429577264 1032789235 /nfs/dbraw/zinc/78/92/35/1032789235.db2.gz FDHWYZSGPBMAIK-OAGGEKHMSA-N 0 3 345.512 4.140 20 30 EIEDHN COc1ccc([C@H](CCC#N)NCCCOc2ccc(F)cc2)cc1 ZINC000579795727 1018992317 /nfs/dbraw/zinc/99/23/17/1018992317.db2.gz CPGDDMNLOBQBFC-FQEVSTJZSA-N 0 3 342.414 4.238 20 30 EIEDHN N#Cc1cccc([C@@H](O)CN2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC001167064695 1019215180 /nfs/dbraw/zinc/21/51/80/1019215180.db2.gz XSHWWRGJUAXPFN-MOPGFXCFSA-N 0 3 326.827 4.082 20 30 EIEDHN C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000471173702 1019633840 /nfs/dbraw/zinc/63/38/40/1019633840.db2.gz QUECMSAGOIAKEV-UHFFFAOYSA-N 0 3 337.467 4.358 20 30 EIEDHN C=CCCCCCCCN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001209442171 1020351955 /nfs/dbraw/zinc/35/19/55/1020351955.db2.gz VJBCCGBKIUURIH-HXUWFJFHSA-N 0 3 345.531 4.268 20 30 EIEDHN C#CCN(CCOc1ccc(F)cc1Cl)[C@H]1CCc2ccccc21 ZINC001167179246 1020488308 /nfs/dbraw/zinc/48/83/08/1020488308.db2.gz XEBOHVCCRFJPEM-IBGZPJMESA-N 0 3 343.829 4.481 20 30 EIEDHN CC(C)N(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CCC1 ZINC000119700177 1020560740 /nfs/dbraw/zinc/56/07/40/1020560740.db2.gz XPXMFOLRRQMZRD-HNNXBMFYSA-N 0 3 345.512 4.140 20 30 EIEDHN N#CC(C(=O)C=Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000255067054 1020874125 /nfs/dbraw/zinc/87/41/25/1020874125.db2.gz HHBZEWWGVNFBOG-BMSUMIBZSA-N 0 3 337.329 4.321 20 30 EIEDHN C=CC[C@H](CC)N[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000500818885 1032962026 /nfs/dbraw/zinc/96/20/26/1032962026.db2.gz WYOKWRYXBQTYPR-FXAWDEMLSA-N 0 3 338.451 4.319 20 30 EIEDHN C=CC[C@@H](CC)N[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000500818988 1032962054 /nfs/dbraw/zinc/96/20/54/1032962054.db2.gz WYOKWRYXBQTYPR-YLJYHZDGSA-N 0 3 338.451 4.319 20 30 EIEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(OCC(F)(F)F)cc1 ZINC000177690548 1021451355 /nfs/dbraw/zinc/45/13/55/1021451355.db2.gz REYXFSDODFUIKN-LLVKDONJSA-N 0 3 340.370 4.412 20 30 EIEDHN CCCSCC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544628 1021889056 /nfs/dbraw/zinc/88/90/56/1021889056.db2.gz FIPGRMLIAOXGOA-AWEZNQCLSA-N 0 3 341.461 4.001 20 30 EIEDHN C=C(CN1CCCCC1)c1nc(-c2cc(Cl)c(F)cc2F)no1 ZINC001211434662 1022575501 /nfs/dbraw/zinc/57/55/01/1022575501.db2.gz ABBUPOWGPVFOKX-UHFFFAOYSA-N 0 3 339.773 4.167 20 30 EIEDHN CN(Cc1ccc(OCC(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000056491368 1022833211 /nfs/dbraw/zinc/83/32/11/1022833211.db2.gz DDEHSEDOBREXNB-UHFFFAOYSA-N 0 3 334.341 4.131 20 30 EIEDHN C=CCCOCCNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000323431522 1023153442 /nfs/dbraw/zinc/15/34/42/1023153442.db2.gz QPIFQXBWJJKZPX-UHFFFAOYSA-N 0 3 328.437 4.239 20 30 EIEDHN Cc1ccc(C(=O)C2CCN(CCc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000659825666 1023307599 /nfs/dbraw/zinc/30/75/99/1023307599.db2.gz WSVSYONMVMCFJN-UHFFFAOYSA-N 0 3 346.474 4.313 20 30 EIEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000376957035 1023342299 /nfs/dbraw/zinc/34/22/99/1023342299.db2.gz UVTIQAWOVSZEIF-YXJHDRRASA-N 0 3 334.891 4.051 20 30 EIEDHN COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1ccc(C#N)c(OC)c1 ZINC000565690474 1023462966 /nfs/dbraw/zinc/46/29/66/1023462966.db2.gz WDZVWBTZAQSJDL-LJQANCHMSA-N 0 3 336.435 4.088 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc2ccc(Cl)cn12 ZINC000418138319 1023555509 /nfs/dbraw/zinc/55/55/09/1023555509.db2.gz CODKYIPGJZXPMY-SFHVURJKSA-N 0 3 336.826 4.027 20 30 EIEDHN N#Cc1ccccc1COc1cccc(CNCc2ccc(O)cc2)c1 ZINC000066905710 1024392313 /nfs/dbraw/zinc/39/23/13/1024392313.db2.gz NXGDBMJVIIIFJP-UHFFFAOYSA-N 0 3 344.414 4.133 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C(C)C)oc2C)cc1 ZINC000796800357 1024608285 /nfs/dbraw/zinc/60/82/85/1024608285.db2.gz SMHRRHXBRMQJAC-KRWDZBQOSA-N 0 3 338.407 4.235 20 30 EIEDHN C[C@H](NC1CCN(CC#N)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000610812797 1025003814 /nfs/dbraw/zinc/00/38/14/1025003814.db2.gz MMWQREUFBALRLQ-JTQLQIEISA-N 0 3 346.689 4.285 20 30 EIEDHN N#Cc1cccc(CN[C@H]2CCc3c2cccc3Br)c1 ZINC000105491854 1025380526 /nfs/dbraw/zinc/38/05/26/1025380526.db2.gz XWOIVGDGGFXLOO-KRWDZBQOSA-N 0 3 327.225 4.098 20 30 EIEDHN N#Cc1ccc(CNCCc2ccc(Oc3ccc(F)cc3)cc2)o1 ZINC000538427266 1025411413 /nfs/dbraw/zinc/41/14/13/1025411413.db2.gz HHFFGYBIHHTKKK-UHFFFAOYSA-N 0 3 336.366 4.415 20 30 EIEDHN N#Cc1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000066971946 1025571190 /nfs/dbraw/zinc/57/11/90/1025571190.db2.gz TVOHKAWQXVUYQM-UHFFFAOYSA-N 0 3 349.415 4.485 20 30 EIEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCCC(C)(C)CC2)cc1 ZINC001167529940 1025953777 /nfs/dbraw/zinc/95/37/77/1025953777.db2.gz WVCHAIQHVQNCTE-GOSISDBHSA-N 0 3 341.499 4.142 20 30 EIEDHN N#Cc1cccc(C2(NCCOc3ccc4ccccc4c3)CC2)c1 ZINC000551406309 1026169116 /nfs/dbraw/zinc/16/91/16/1026169116.db2.gz MUCSIJGXEKPTEH-UHFFFAOYSA-N 0 3 328.415 4.369 20 30 EIEDHN N#Cc1ccc2ncc(CN[C@H](c3ccc(F)cc3)C3CCCC3)n2c1 ZINC000551529957 1026208218 /nfs/dbraw/zinc/20/82/18/1026208218.db2.gz MANGPEFRHYUNNK-NRFANRHFSA-N 0 3 348.425 4.366 20 30 EIEDHN CCCc1ccc([C@H](NCc2cnc3c(C#N)cnn3c2)C(C)C)cc1 ZINC000550157027 1026252913 /nfs/dbraw/zinc/25/29/13/1026252913.db2.gz QZUMQVQMZJDKQH-HXUWFJFHSA-N 0 3 347.466 4.040 20 30 EIEDHN N#Cc1cc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)cs1 ZINC000892224428 1026354639 /nfs/dbraw/zinc/35/46/39/1026354639.db2.gz DMNMXCMEYHBCFF-WBVHZDCISA-N 0 3 330.453 4.081 20 30 EIEDHN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc(C#N)cc1 ZINC000550227395 1026383259 /nfs/dbraw/zinc/38/32/59/1026383259.db2.gz RFBJYEIJUUHJIW-HUUCEWRRSA-N 0 3 334.398 4.295 20 30 EIEDHN CC[C@@H](C)CN(CC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167562431 1026429832 /nfs/dbraw/zinc/42/98/32/1026429832.db2.gz LAUAXJBHINZNSR-OAHLLOKOSA-N 0 3 349.906 4.263 20 30 EIEDHN CCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1Cl ZINC000562099738 1026855881 /nfs/dbraw/zinc/85/58/81/1026855881.db2.gz JDEUHBZXRJRYLJ-GOSISDBHSA-N 0 3 326.827 4.387 20 30 EIEDHN C=CCc1cc(CNCc2ccc(C)cc2C)cc(OC)c1OC ZINC000237310375 1026920801 /nfs/dbraw/zinc/92/08/01/1026920801.db2.gz DPBHYAUWXKHEMZ-UHFFFAOYSA-N 0 3 325.452 4.339 20 30 EIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000075800546 1027068145 /nfs/dbraw/zinc/06/81/45/1027068145.db2.gz ZXRPGCQYKNIILY-MRXNPFEDSA-N 0 3 339.435 4.264 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000075800545 1027068348 /nfs/dbraw/zinc/06/83/48/1027068348.db2.gz ZXRPGCQYKNIILY-INIZCTEOSA-N 0 3 339.435 4.264 20 30 EIEDHN C=CCS(=O)(=O)CCN[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000783531517 1027237509 /nfs/dbraw/zinc/23/75/09/1027237509.db2.gz JAEVVIDGGRYBFV-MRXNPFEDSA-N 0 3 343.920 4.008 20 30 EIEDHN C=CCOc1cccc(CNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000237744942 1027536786 /nfs/dbraw/zinc/53/67/86/1027536786.db2.gz MRWMWKUPTVHHRV-UHFFFAOYSA-N 0 3 341.426 4.186 20 30 EIEDHN N#CCCC[C@H](NCc1cncc(Br)c1)c1ccccc1 ZINC000353903033 1027574948 /nfs/dbraw/zinc/57/49/48/1027574948.db2.gz VCDIEWOCJGSXDO-KRWDZBQOSA-N 0 3 344.256 4.369 20 30 EIEDHN Cc1ccc2ncc(CN(Cc3ccc(C#N)cc3)CC(C)C)n2c1 ZINC000507742791 1027637844 /nfs/dbraw/zinc/63/78/44/1027637844.db2.gz WLSRXXYBQKLPER-UHFFFAOYSA-N 0 3 332.451 4.173 20 30 EIEDHN CCc1nn(C)c(CC)c1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000507747039 1027824814 /nfs/dbraw/zinc/82/48/14/1027824814.db2.gz HXHWAXBRMUFVIR-UHFFFAOYSA-N 0 3 338.499 4.075 20 30 EIEDHN CC(C)(C)c1ccccc1NC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328909371 1027834327 /nfs/dbraw/zinc/83/43/27/1027834327.db2.gz MRLHTCWEDKIMCK-LPHOPBHVSA-N 0 3 343.471 4.059 20 30 EIEDHN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1CCCCC(C)(C)C#N ZINC000444652147 1027924206 /nfs/dbraw/zinc/92/42/06/1027924206.db2.gz WRCBGBAXFYXUOV-MSOLQXFVSA-N 0 3 334.504 4.150 20 30 EIEDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444676281 1027955234 /nfs/dbraw/zinc/95/52/34/1027955234.db2.gz NPLJJJVZRJACSA-GUYCJALGSA-N 0 3 333.863 4.051 20 30 EIEDHN CCCCCCCOc1ccc(-c2noc([C@H]3NC[C@H]4C[C@H]43)n2)cc1 ZINC001211566195 1028001421 /nfs/dbraw/zinc/00/14/21/1028001421.db2.gz ZUYIOTYKWRPQQE-NXHRZFHOSA-N 0 3 341.455 4.366 20 30 EIEDHN C=CCOc1ccc(CN(Cc2cc(C)ncn2)C(C)(C)C)cc1 ZINC000428377853 1028096288 /nfs/dbraw/zinc/09/62/88/1028096288.db2.gz YGSDKPWWYFEWES-UHFFFAOYSA-N 0 3 325.456 4.151 20 30 EIEDHN C=CCOCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000318830123 1028144377 /nfs/dbraw/zinc/14/43/77/1028144377.db2.gz ZMBOPQPGXKLMRC-UHFFFAOYSA-N 0 3 327.268 4.016 20 30 EIEDHN COc1cc(CNC[C@@H](c2ccccc2)C(F)(F)F)ccc1C#N ZINC000440621596 1028228779 /nfs/dbraw/zinc/22/87/79/1028228779.db2.gz YTUURKDIOUQBMW-INIZCTEOSA-N 0 3 334.341 4.003 20 30 EIEDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000278175665 1028402459 /nfs/dbraw/zinc/40/24/59/1028402459.db2.gz CWNGUECZYCCTJC-IERDGZPVSA-N 0 3 349.478 4.327 20 30 EIEDHN CC[C@H](NCc1ccc(C(=O)N(CC)CC)cc1)c1ccc(C#N)cc1 ZINC000278218533 1028586828 /nfs/dbraw/zinc/58/68/28/1028586828.db2.gz ISRFHITZZXCVKC-NRFANRHFSA-N 0 3 349.478 4.281 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CCCCC[C@@H]2c2ccncc2)cc1 ZINC000157011118 1028892131 /nfs/dbraw/zinc/89/21/31/1028892131.db2.gz CXLZJIOYZNMLGL-LAUBAEHRSA-N 0 3 335.451 4.490 20 30 EIEDHN CC[C@@H](NCc1ccc(C)cc1OCCOC)c1ccc(C#N)cc1 ZINC000278379151 1029047550 /nfs/dbraw/zinc/04/75/50/1029047550.db2.gz CWXIRTLGKZJHJI-HXUWFJFHSA-N 0 3 338.451 4.133 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000042352844 1029177923 /nfs/dbraw/zinc/17/79/23/1029177923.db2.gz ABRIRLFAMDCXHY-UHFFFAOYSA-N 0 3 332.241 4.304 20 30 EIEDHN CCN(CC)[C@@H](CNc1ncc(Cl)c(C)c1C#N)c1ccco1 ZINC000343445665 1029263557 /nfs/dbraw/zinc/26/35/57/1029263557.db2.gz XQXNIHFGQLNBBP-HNNXBMFYSA-N 0 3 332.835 4.003 20 30 EIEDHN N#CCCCN[C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446884341 1029630640 /nfs/dbraw/zinc/63/06/40/1029630640.db2.gz OXXDTPHCDCEWRX-CQSZACIVSA-N 0 3 327.653 4.447 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N2CCCCC[C@@H]2CC(C)C)CC1 ZINC000525438665 1029634750 /nfs/dbraw/zinc/63/47/50/1029634750.db2.gz KHFQGONSHWBVKJ-LJQANCHMSA-N 0 3 335.536 4.027 20 30 EIEDHN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1cccc(OCCCC#N)c1 ZINC000447073861 1029687829 /nfs/dbraw/zinc/68/78/29/1029687829.db2.gz ZUNMOBOFKXHTAF-UHFFFAOYSA-N 0 3 340.471 4.022 20 30 EIEDHN CC(C)(C)OC(=O)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000584439700 1029870223 /nfs/dbraw/zinc/87/02/23/1029870223.db2.gz JCGLRRSEPCEVST-HXUWFJFHSA-N 0 3 348.446 4.291 20 30 EIEDHN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1Cc1ccc(Cl)cc1C#N ZINC000450958354 1030134987 /nfs/dbraw/zinc/13/49/87/1030134987.db2.gz MYYGVAFEHCPPSO-OTWHNJEPSA-N 0 3 332.875 4.117 20 30 EIEDHN N#CCSCCCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451015362 1030181946 /nfs/dbraw/zinc/18/19/46/1030181946.db2.gz JSCMOUMARNZSLC-OAHLLOKOSA-N 0 3 334.876 4.000 20 30 EIEDHN COCCCC[C@H](NCc1ccc(C#N)cc1OC)c1ccccc1 ZINC000348325374 1030184008 /nfs/dbraw/zinc/18/40/08/1030184008.db2.gz HNRWXPSOULVPDR-FQEVSTJZSA-N 0 3 338.451 4.214 20 30 EIEDHN CC[C@@H](C)c1ccc([C@@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000526135886 1030293280 /nfs/dbraw/zinc/29/32/80/1030293280.db2.gz OVJQSNGXYMFDTE-UZLBHIALSA-N 0 3 341.499 4.049 20 30 EIEDHN N#CCCCOc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000191661390 1030632374 /nfs/dbraw/zinc/63/23/74/1030632374.db2.gz HOJALPBVOLALRR-FQEVSTJZSA-N 0 3 336.435 4.242 20 30 EIEDHN COc1ccc(CNCc2ccc(C)c(F)c2)cc1OCCCC#N ZINC000064613769 1030716433 /nfs/dbraw/zinc/71/64/33/1030716433.db2.gz NOTHNQUIRJOVKI-UHFFFAOYSA-N 0 3 342.414 4.115 20 30 EIEDHN N#CC(C(=O)C[C@@H]1CCC2(CCC2)CO1)c1ccc2ccccc2n1 ZINC000892428376 1030899756 /nfs/dbraw/zinc/89/97/56/1030899756.db2.gz YOYHGXHEMCJRMG-IRXDYDNUSA-N 0 3 334.419 4.150 20 30 EIEDHN N#CC(C(=O)C[C@H]1CCC2(CCC2)CO1)c1ccc2ccccc2n1 ZINC000892428377 1030900516 /nfs/dbraw/zinc/90/05/16/1030900516.db2.gz YOYHGXHEMCJRMG-SJORKVTESA-N 0 3 334.419 4.150 20 30 EIEDHN COc1cc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)ccc1C#N ZINC000527903473 1030929131 /nfs/dbraw/zinc/92/91/31/1030929131.db2.gz VTUWDLJBOAXTHA-QGZVFWFLSA-N 0 3 330.790 4.136 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000528449828 1031540990 /nfs/dbraw/zinc/54/09/90/1031540990.db2.gz RGDFOZCEOJBFEJ-UHFFFAOYSA-N 0 3 348.446 4.356 20 30 EIEDHN CC1(C#N)CCC(N[C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000449219898 1031552616 /nfs/dbraw/zinc/55/26/16/1031552616.db2.gz OTPMHIYBIJDQIE-FUHYEJFZSA-N 0 3 347.462 4.428 20 30 EIEDHN Cc1ccc(-c2noc([C@H](C)NC3CCC(C)(C#N)CC3)n2)cc1F ZINC000449278728 1031588867 /nfs/dbraw/zinc/58/88/67/1031588867.db2.gz LSCDFFRCHYSFNI-XIWWETDGSA-N 0 3 342.418 4.307 20 30 EIEDHN C[C@H](c1ccccc1Cl)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000472438116 1031629105 /nfs/dbraw/zinc/62/91/05/1031629105.db2.gz FNBACXFKQXSOII-MRXNPFEDSA-N 0 3 333.907 4.349 20 30 EIEDHN C=CCc1cc(CN[C@H](C)c2ccc(F)c(C)c2)cc(OC)c1O ZINC000449374162 1031671808 /nfs/dbraw/zinc/67/18/08/1031671808.db2.gz XPMKZHGCQQISLW-CQSZACIVSA-N 0 3 329.415 4.428 20 30 EIEDHN COc1ncc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1Cl ZINC000453300588 1031818558 /nfs/dbraw/zinc/81/85/58/1031818558.db2.gz WIGUGVLYWWHOAI-SFHVURJKSA-N 0 3 341.842 4.173 20 30 EIEDHN N#Cc1ccc(CN[C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cc1F ZINC000453392055 1031956855 /nfs/dbraw/zinc/95/68/55/1031956855.db2.gz UFPOKAQEOUXQEZ-MGPUTAFESA-N 0 3 342.389 4.094 20 30 EIEDHN C[C@@H](NCCSCc1ccccc1F)c1ccc(C#N)cc1F ZINC000512612557 1033493214 /nfs/dbraw/zinc/49/32/14/1033493214.db2.gz PGJFPQDVOSCIIP-CYBMUJFWSA-N 0 3 332.419 4.420 20 30 EIEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000512612810 1033495908 /nfs/dbraw/zinc/49/59/08/1033495908.db2.gz PYUMPRCWXSRADF-SGTLLEGYSA-N 0 3 332.806 4.389 20 30 EIEDHN CC(C)N(C(=O)CN[C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433020374 1033667657 /nfs/dbraw/zinc/66/76/57/1033667657.db2.gz RSHYORSXPLYKPZ-OAQYLSRUSA-N 0 3 349.478 4.453 20 30 EIEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419319701 1034252481 /nfs/dbraw/zinc/25/24/81/1034252481.db2.gz CYPRVXTWKBXKAB-IRXDYDNUSA-N 0 3 338.455 4.255 20 30 EIEDHN C[C@H](NCc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(C#N)cc1 ZINC000500975572 1034644261 /nfs/dbraw/zinc/64/42/61/1034644261.db2.gz GSVAALBWVYKOBY-HNNXBMFYSA-N 0 3 336.435 4.364 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)s1 ZINC000513381493 1034898668 /nfs/dbraw/zinc/89/86/68/1034898668.db2.gz RMBJBEUBRSDBPC-UHFFFAOYSA-N 0 3 338.476 4.499 20 30 EIEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280168638 1035192550 /nfs/dbraw/zinc/19/25/50/1035192550.db2.gz FTKFHXMSXAHOMM-IXPVHAAZSA-N 0 3 346.780 4.064 20 30 EIEDHN COCCSc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000237086499 1035500786 /nfs/dbraw/zinc/50/07/86/1035500786.db2.gz RAVMHFJXAURTCN-OAHLLOKOSA-N 0 3 326.465 4.148 20 30 EIEDHN N#Cc1cccc(C2(NCc3cccc(Cl)c3)CCOCC2)c1 ZINC000594984661 1035513375 /nfs/dbraw/zinc/51/33/75/1035513375.db2.gz PWFGAOYGYWRDLT-UHFFFAOYSA-N 0 3 326.827 4.007 20 30 EIEDHN N#Cc1cccc(C2(NCc3ccc(Cl)c(F)c3)CCOCC2)c1 ZINC000594983218 1035516529 /nfs/dbraw/zinc/51/65/29/1035516529.db2.gz IDMCWKIPABHBRG-UHFFFAOYSA-N 0 3 344.817 4.146 20 30 EIEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cncc(Br)c1 ZINC000595042173 1035564644 /nfs/dbraw/zinc/56/46/44/1035564644.db2.gz JUEDARPLSDNYGZ-APPDUMDISA-N 0 3 342.240 4.054 20 30 EIEDHN Cc1c2ccccc2oc1[C@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000485008036 1035575530 /nfs/dbraw/zinc/57/55/30/1035575530.db2.gz UMAUGJLCUYLZET-HNNXBMFYSA-N 0 3 347.418 4.292 20 30 EIEDHN COCCSc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000237092383 1035579725 /nfs/dbraw/zinc/57/97/25/1035579725.db2.gz PIWBNSSCFUSUJQ-HNNXBMFYSA-N 0 3 326.465 4.148 20 30 EIEDHN N#CCc1ccc(CN[C@@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000575059170 1035664360 /nfs/dbraw/zinc/66/43/60/1035664360.db2.gz JRAWXJWPAVGJBH-GOSISDBHSA-N 0 3 326.827 4.410 20 30 EIEDHN CC(C)(C#N)CCCN1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711450 1035771706 /nfs/dbraw/zinc/77/17/06/1035771706.db2.gz GRTVWPFQHWEJAV-UHFFFAOYSA-N 0 3 325.481 4.498 20 30 EIEDHN C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1CCOCCC#N ZINC000595864845 1035801709 /nfs/dbraw/zinc/80/17/09/1035801709.db2.gz DSFJQWOEVBCNAA-KRWDZBQOSA-N 0 3 340.389 4.033 20 30 EIEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)c(C)c1OC ZINC000586794278 1035850229 /nfs/dbraw/zinc/85/02/29/1035850229.db2.gz JQXUYAADQJXXPE-ZDUSSCGKSA-N 0 3 344.842 4.388 20 30 EIEDHN COc1cc(Cl)cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1[O-] ZINC000761191043 1035998120 /nfs/dbraw/zinc/99/81/20/1035998120.db2.gz IIDINXFIVIQXFA-UHFFFAOYSA-N 0 3 344.842 4.336 20 30 EIEDHN COc1cc(Cl)cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1[O-] ZINC000761191043 1035998181 /nfs/dbraw/zinc/99/81/81/1035998181.db2.gz IIDINXFIVIQXFA-UHFFFAOYSA-N 0 3 344.842 4.336 20 30 EIEDHN CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977652 1036064106 /nfs/dbraw/zinc/06/41/06/1036064106.db2.gz NFHKUAHHHFOTIE-UHFFFAOYSA-N 0 3 342.389 4.475 20 30 EIEDHN N#CC[C@H]1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597172544 1036122157 /nfs/dbraw/zinc/12/21/57/1036122157.db2.gz CLFYQESHVUKNRG-GOSISDBHSA-N 0 3 345.446 4.263 20 30 EIEDHN Cc1oc2ccccc2c1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000597210097 1036156627 /nfs/dbraw/zinc/15/66/27/1036156627.db2.gz GBJPJQNJKUKSLP-UHFFFAOYSA-N 0 3 346.430 4.408 20 30 EIEDHN N#CCCCOc1cccc(CN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000597228748 1036162688 /nfs/dbraw/zinc/16/26/88/1036162688.db2.gz NMENETDGDOWUFM-OAQYLSRUSA-N 0 3 336.435 4.022 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1F ZINC000421320394 1036266126 /nfs/dbraw/zinc/26/61/26/1036266126.db2.gz BZYMIMLUTYOWHR-GOSISDBHSA-N 0 3 346.352 4.466 20 30 EIEDHN Cc1ccc(NC(=O)C[C@H](C)NCc2ccc(C#N)s2)cc1Cl ZINC000421349835 1036294222 /nfs/dbraw/zinc/29/42/22/1036294222.db2.gz JSYOZKFYYLZEEL-LBPRGKRZSA-N 0 3 347.871 4.089 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000588231688 1036307188 /nfs/dbraw/zinc/30/71/88/1036307188.db2.gz QRUNYUWLMGPUNT-PMACEKPBSA-N 0 3 340.854 4.302 20 30 EIEDHN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000588959505 1036622700 /nfs/dbraw/zinc/62/27/00/1036622700.db2.gz DDZKOLSNWMOPLO-MRXNPFEDSA-N 0 3 330.790 4.136 20 30 EIEDHN COc1ccc(C(NCCC(C)(C)C#N)c2ccc(OC)cc2)cc1 ZINC000589056402 1036648608 /nfs/dbraw/zinc/64/86/08/1036648608.db2.gz ZQSKERGEVZYJQO-UHFFFAOYSA-N 0 3 338.451 4.323 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602895446 1036665375 /nfs/dbraw/zinc/66/53/75/1036665375.db2.gz NUWFZZRFPCRWIZ-INIZCTEOSA-N 0 3 330.435 4.067 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000598592002 1036707274 /nfs/dbraw/zinc/70/72/74/1036707274.db2.gz DOCFSPWYHSZMSV-LEWJYISDSA-N 0 3 334.463 4.087 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000598592631 1036708265 /nfs/dbraw/zinc/70/82/65/1036708265.db2.gz KPRVVIWGPADDCL-KRWDZBQOSA-N 0 3 336.426 4.010 20 30 EIEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(OC(F)F)c1 ZINC000589336460 1036738194 /nfs/dbraw/zinc/73/81/94/1036738194.db2.gz JZPDWZALXGVEFS-KZULUSFZSA-N 0 3 328.362 4.498 20 30 EIEDHN CC(C)(C)OC(=O)c1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000589343665 1036741038 /nfs/dbraw/zinc/74/10/38/1036741038.db2.gz JIYHOBUEECUGGA-HXUWFJFHSA-N 0 3 348.446 4.291 20 30 EIEDHN C=CCOc1ccc(CN2CCC([C@H]3CCCCO3)CC2)cc1OC ZINC000668628828 1036744443 /nfs/dbraw/zinc/74/44/43/1036744443.db2.gz GMWBQOXXOKDRFJ-LJQANCHMSA-N 0 3 345.483 4.041 20 30 EIEDHN CC(C)CSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000045518336 1036815926 /nfs/dbraw/zinc/81/59/26/1036815926.db2.gz QZFOJUKCCBMJHZ-CQSZACIVSA-N 0 3 330.478 4.376 20 30 EIEDHN COc1ccc(CN[C@H](c2ccc(F)c(F)c2)C(C)C)cc1C#N ZINC000761335488 1036946975 /nfs/dbraw/zinc/94/69/75/1036946975.db2.gz SUXVSUAQSFYNBU-IBGZPJMESA-N 0 3 330.378 4.332 20 30 EIEDHN Cc1ccc(CN2CCC(OCc3ccccc3F)CC2)cc1C#N ZINC000599341215 1036958341 /nfs/dbraw/zinc/95/83/41/1036958341.db2.gz HUSVDNZJBUIJQK-UHFFFAOYSA-N 0 3 338.426 4.187 20 30 EIEDHN Cc1ccc(CNC2(c3ccc(Br)cc3)CC2)cc1C#N ZINC000599349403 1036961297 /nfs/dbraw/zinc/96/12/97/1036961297.db2.gz OANUSIFUPXZVHK-UHFFFAOYSA-N 0 3 341.252 4.408 20 30 EIEDHN Cc1ccc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1C#N ZINC000599453747 1037013386 /nfs/dbraw/zinc/01/33/86/1037013386.db2.gz ZIFDHTVCUVKXHU-FKBYEOEOSA-N 0 3 332.447 4.361 20 30 EIEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc([S@@](C)=O)cc1 ZINC000271848841 1037036420 /nfs/dbraw/zinc/03/64/20/1037036420.db2.gz VNEYVRAGUUIOFX-IZHWHUGBSA-N 0 3 340.492 4.076 20 30 EIEDHN CC(C)Oc1cccc(CN2CCCN(c3ccccc3C#N)CC2)c1 ZINC000603849923 1037044385 /nfs/dbraw/zinc/04/43/85/1037044385.db2.gz ODVILKOQEYBETN-UHFFFAOYSA-N 0 3 349.478 4.058 20 30 EIEDHN Cc1cc(Cl)ccc1C1=CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000599619654 1037091763 /nfs/dbraw/zinc/09/17/63/1037091763.db2.gz MYESLLIVNZTIMZ-QGZVFWFLSA-N 0 3 332.875 4.038 20 30 EIEDHN C=CCC1(NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCCC1 ZINC000599615004 1037092971 /nfs/dbraw/zinc/09/29/71/1037092971.db2.gz VSHGXXYZDJGUCN-UHFFFAOYSA-N 0 3 342.399 4.013 20 30 EIEDHN Cc1cccc([C@@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C(C)C)c1 ZINC000599626810 1037101211 /nfs/dbraw/zinc/10/12/11/1037101211.db2.gz HKPAVCUCEWRHKW-UZLBHIALSA-N 0 3 335.451 4.181 20 30 EIEDHN CN(C)C[C@H](NCCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000599628359 1037101247 /nfs/dbraw/zinc/10/12/47/1037101247.db2.gz RWTYXNPLSCOHEW-HNNXBMFYSA-N 0 3 328.287 4.126 20 30 EIEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cc(C)ccc1C ZINC000599640593 1037106543 /nfs/dbraw/zinc/10/65/43/1037106543.db2.gz KHUQYXLRJFQDJU-QFBILLFUSA-N 0 3 335.451 4.243 20 30 EIEDHN N#CC1(CCCNC2(c3c(F)cccc3F)CCC2)CCOCC1 ZINC000599702567 1037127470 /nfs/dbraw/zinc/12/74/70/1037127470.db2.gz XBGDDFRMNDFOQK-UHFFFAOYSA-N 0 3 334.410 4.034 20 30 EIEDHN COc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccc1Cl ZINC000590780129 1037164236 /nfs/dbraw/zinc/16/42/36/1037164236.db2.gz LDZNIXMVRWKCJL-GOSISDBHSA-N 0 3 326.827 4.387 20 30 EIEDHN N#CCCCOc1cccc(CN2CC(Cc3ccc(F)cc3)C2)c1 ZINC000590968221 1037215327 /nfs/dbraw/zinc/21/53/27/1037215327.db2.gz FYZJORRTCAEUDY-UHFFFAOYSA-N 0 3 338.426 4.183 20 30 EIEDHN CC(C)COc1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000171655578 1037564788 /nfs/dbraw/zinc/56/47/88/1037564788.db2.gz OOAFTUQCZICYAR-KRWDZBQOSA-N 0 3 348.402 4.282 20 30 EIEDHN N#CC(C(=O)C[C@@H]1CCCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000171776391 1037650359 /nfs/dbraw/zinc/65/03/59/1037650359.db2.gz ZKPRYXQXPCYRAY-DOTOQJQBSA-N 0 3 329.403 4.249 20 30 EIEDHN N#CC(C(=O)c1ccc2c(c1)CCC2)c1nc2cc(F)ccc2s1 ZINC000592974091 1037884991 /nfs/dbraw/zinc/88/49/91/1037884991.db2.gz NEZFWRKWFJHRGN-OAHLLOKOSA-N 0 3 336.391 4.414 20 30 EIEDHN C=C(C)[C@@H](N[C@@H](C)c1ccc(CN)nc1C)c1ccc(F)c(F)c1 ZINC000423051477 1037936300 /nfs/dbraw/zinc/93/63/00/1037936300.db2.gz NLWDOECAGIAEGD-ORAYPTAESA-N 0 3 331.410 4.095 20 30 EIEDHN N#CC(C(=O)CC(c1ccccc1)c1ccccc1)c1ccccn1 ZINC000046439991 1038208510 /nfs/dbraw/zinc/20/85/10/1038208510.db2.gz OQIANAGTJVVABQ-FQEVSTJZSA-N 0 3 326.399 4.480 20 30 EIEDHN CC[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1 ZINC000423436386 1038235886 /nfs/dbraw/zinc/23/58/86/1038235886.db2.gz LVQMVIRRQACUNZ-RTBURBONSA-N 0 3 335.451 4.484 20 30 EIEDHN N#Cc1ccc(C2(NCc3ccc(OC(F)F)cc3)CCC2)cc1 ZINC000594032659 1038239508 /nfs/dbraw/zinc/23/95/08/1038239508.db2.gz ZABCRZPDQCZNGI-UHFFFAOYSA-N 0 3 328.362 4.329 20 30 EIEDHN CCc1ccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)N(C)C)cc1 ZINC000912777905 1038291891 /nfs/dbraw/zinc/29/18/91/1038291891.db2.gz XVRCCSGOOHBAKX-VSIOZEBNSA-N 0 3 347.462 4.225 20 30 EIEDHN CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(C)c1 ZINC000594431961 1038332652 /nfs/dbraw/zinc/33/26/52/1038332652.db2.gz TWHVLLYSBILUNY-ZBFHGGJFSA-N 0 3 333.501 4.235 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000594431761 1038334361 /nfs/dbraw/zinc/33/43/61/1038334361.db2.gz QZKUYFJWBRMAMI-MRXNPFEDSA-N 0 3 349.862 4.011 20 30 EIEDHN N#CC1(c2ccc(CN[C@@H](c3ccccc3)[C@@H]3CCCO3)cc2)CC1 ZINC000594916977 1038425115 /nfs/dbraw/zinc/42/51/15/1038425115.db2.gz DWNFJUSWBIACKX-SFTDATJTSA-N 0 3 332.447 4.252 20 30 EIEDHN CC(C)(NCc1ccc(Br)s1)c1cccc(C#N)c1 ZINC000594968852 1038481296 /nfs/dbraw/zinc/48/12/96/1038481296.db2.gz UBPRFSAKSDXKTJ-UHFFFAOYSA-N 0 3 335.270 4.407 20 30 EIEDHN CC(C)(NCc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000594967657 1038555055 /nfs/dbraw/zinc/55/50/55/1038555055.db2.gz GMOSOSQQZQDCKA-UHFFFAOYSA-N 0 3 334.341 4.482 20 30 EIEDHN Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424108367 1038573324 /nfs/dbraw/zinc/57/33/24/1038573324.db2.gz WPGSXUOBNOISFR-QGZVFWFLSA-N 0 3 339.464 4.106 20 30 EIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000424198694 1038736753 /nfs/dbraw/zinc/73/67/53/1038736753.db2.gz JKFYFPXGAAZWOV-JOYOIKCWSA-N 0 3 347.178 4.250 20 30 EIEDHN Cc1ccsc1[C@H](Cc1ccccc1)NCc1ccnc(C#N)c1 ZINC000612480871 1038837234 /nfs/dbraw/zinc/83/72/34/1038837234.db2.gz IQRMPMAHMZQURG-IBGZPJMESA-N 0 3 333.460 4.397 20 30 EIEDHN C=C(CN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000504905625 1038846207 /nfs/dbraw/zinc/84/62/07/1038846207.db2.gz LMVJMUZDDUZGIP-HNNXBMFYSA-N 0 3 326.396 4.358 20 30 EIEDHN CC[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@H]1c1ccccc1 ZINC000537619937 1038956861 /nfs/dbraw/zinc/95/68/61/1038956861.db2.gz NJZVXIIREPACDR-WIYYLYMNSA-N 0 3 344.462 4.222 20 30 EIEDHN CC[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@@H]1c1ccccc1 ZINC000537619935 1038957907 /nfs/dbraw/zinc/95/79/07/1038957907.db2.gz NJZVXIIREPACDR-NQIIRXRSSA-N 0 3 344.462 4.222 20 30 EIEDHN C=CCC[C@H](NCC(=O)NCc1ccc(Cl)s1)c1ccccc1 ZINC000539359317 1038993995 /nfs/dbraw/zinc/99/39/95/1038993995.db2.gz KSRBOVDNLBDNST-INIZCTEOSA-N 0 3 348.899 4.315 20 30 EIEDHN Cc1ccccc1[C@H](NCC(=O)NC1(C#N)CCCCC1)C(C)(C)C ZINC000539360140 1038995689 /nfs/dbraw/zinc/99/56/89/1038995689.db2.gz OETIWNIXHFDOOE-IBGZPJMESA-N 0 3 341.499 4.015 20 30 EIEDHN C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000539389808 1039046315 /nfs/dbraw/zinc/04/63/15/1039046315.db2.gz CJHHEWOFNFEAKH-RTBURBONSA-N 0 3 343.515 4.037 20 30 EIEDHN COc1cc(C#N)ccc1CN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481399960 1039375725 /nfs/dbraw/zinc/37/57/25/1039375725.db2.gz BEKFZNVRCDUYQH-YJYMSZOUSA-N 0 3 344.842 4.086 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000092643285 1039569533 /nfs/dbraw/zinc/56/95/33/1039569533.db2.gz NDXSDAQCLQVKBD-SFHVURJKSA-N 0 3 349.478 4.078 20 30 EIEDHN C=C[C@H](CC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000534605574 1039597825 /nfs/dbraw/zinc/59/78/25/1039597825.db2.gz UYFZRFWDRIKZAF-DENIHFKCSA-N 0 3 348.490 4.300 20 30 EIEDHN CCc1ccc([C@H](CO)N[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481680330 1039722876 /nfs/dbraw/zinc/72/28/76/1039722876.db2.gz YVIOGMIPBXACLG-VXKWHMMOSA-N 0 3 334.463 4.211 20 30 EIEDHN C[C@@H](c1ccncc1)N1CCC(Nc2cccc(Cl)c2C#N)CC1 ZINC000425235857 1039909832 /nfs/dbraw/zinc/90/98/32/1039909832.db2.gz JCVFQPWCRZRFGX-AWEZNQCLSA-N 0 3 340.858 4.244 20 30 EIEDHN C=C[C@H](CC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000505586998 1039983096 /nfs/dbraw/zinc/98/30/96/1039983096.db2.gz KZOZPHPTORHBIB-JBYIUTFZSA-N 0 3 336.479 4.154 20 30 EIEDHN CC[C@H](c1ccc(Cl)cc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428780824 1040198064 /nfs/dbraw/zinc/19/80/64/1040198064.db2.gz CZSUWDXXQTWVCX-ZWKOTPCHSA-N 0 3 341.842 4.211 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000237506457 1040240711 /nfs/dbraw/zinc/24/07/11/1040240711.db2.gz VZSVLVSAQHTUSC-UGSOOPFHSA-N 0 3 342.439 4.443 20 30 EIEDHN COc1ccc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cc1OC ZINC000194351063 1040282593 /nfs/dbraw/zinc/28/25/93/1040282593.db2.gz WYROYANOHVLEPL-CABCVRRESA-N 0 3 340.423 4.018 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C)c(C)o2)cc1 ZINC000128734349 1040518737 /nfs/dbraw/zinc/51/87/37/1040518737.db2.gz HNALVODSGLHHLE-QGZVFWFLSA-N 0 3 338.407 4.200 20 30 EIEDHN CCOc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000551811877 1040623594 /nfs/dbraw/zinc/62/35/94/1040623594.db2.gz HVNTZQAYQXEZAD-UHFFFAOYSA-N 0 3 349.478 4.342 20 30 EIEDHN N#Cc1c(CN2CCC[C@H]2Cc2ccc(F)cc2)cn2ccccc12 ZINC000515509324 1040815776 /nfs/dbraw/zinc/81/57/76/1040815776.db2.gz VYWJSVBFLODUHK-IBGZPJMESA-N 0 3 333.410 4.157 20 30 EIEDHN C[C@H](NC1CCC(Oc2ccccc2C#N)CC1)c1cscn1 ZINC000537977797 1040947739 /nfs/dbraw/zinc/94/77/39/1040947739.db2.gz VKQQSEHNBVCDLR-JEYLPNPQSA-N 0 3 327.453 4.056 20 30 EIEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccc(F)cc1F ZINC000537970585 1040972101 /nfs/dbraw/zinc/97/21/01/1040972101.db2.gz CSNICYYXNIIKRJ-CYBMUJFWSA-N 0 3 332.419 4.420 20 30 EIEDHN Clc1cccc(C#CCN[C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000538222962 1041181456 /nfs/dbraw/zinc/18/14/56/1041181456.db2.gz FINXADSVZRBZPG-WIYYLYMNSA-N 0 3 339.866 4.449 20 30 EIEDHN CCC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000538392168 1041307685 /nfs/dbraw/zinc/30/76/85/1041307685.db2.gz NHIITCIBAFANMU-GOSISDBHSA-N 0 3 338.455 4.447 20 30 EIEDHN CCC[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000538392169 1041308363 /nfs/dbraw/zinc/30/83/63/1041308363.db2.gz NHIITCIBAFANMU-SFHVURJKSA-N 0 3 338.455 4.447 20 30 EIEDHN CC1CCC(Oc2cc(CN[C@H]3CCC[C@H](C#N)C3)ccn2)CC1 ZINC000463235581 1041442074 /nfs/dbraw/zinc/44/20/74/1041442074.db2.gz GYXXXUFXPRGDFY-TXLGJMDYSA-N 0 3 327.472 4.211 20 30 EIEDHN C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]2CCCC[C@@H]21 ZINC000541112092 1041819607 /nfs/dbraw/zinc/81/96/07/1041819607.db2.gz LMYCDFXGHKSGBB-MBOZVWFJSA-N 0 3 349.478 4.248 20 30 EIEDHN COc1ccc([C@H]2CCCN2Cc2ccc(CC#N)cc2)c(OC)c1 ZINC000541282753 1041882416 /nfs/dbraw/zinc/88/24/16/1041882416.db2.gz TUMQPWHMGOVRFR-HXUWFJFHSA-N 0 3 336.435 4.107 20 30 EIEDHN CN(Cc1cccc(C#N)c1F)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541700916 1042077167 /nfs/dbraw/zinc/07/71/67/1042077167.db2.gz GWZPBSAZWKIKSP-RTBURBONSA-N 0 3 342.389 4.189 20 30 EIEDHN CCN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542005373 1042227525 /nfs/dbraw/zinc/22/75/25/1042227525.db2.gz IYRVAYHTXXWBKG-IRXDYDNUSA-N 0 3 349.478 4.133 20 30 EIEDHN COc1cc([C@@H](C)NCc2ccc(CC#N)cc2)ccc1OC(C)C ZINC000542256656 1042361473 /nfs/dbraw/zinc/36/14/73/1042361473.db2.gz WJBZMEUMEJZJOI-MRXNPFEDSA-N 0 3 338.451 4.399 20 30 EIEDHN CCC(=O)Nc1cccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000518276945 1042454861 /nfs/dbraw/zinc/45/48/61/1042454861.db2.gz TZNQNBIUFYWNKD-NRFANRHFSA-N 0 3 347.462 4.464 20 30 EIEDHN CCOc1cc(CNCc2ccc(C#N)c(C)c2)ccc1OC(F)F ZINC000443978475 1042716844 /nfs/dbraw/zinc/71/68/44/1042716844.db2.gz KPXNXZYUHRMZPK-UHFFFAOYSA-N 0 3 346.377 4.157 20 30 EIEDHN CCCCOc1ccc(CNCc2ccc(C#N)c(C)c2)cc1OC ZINC000443984418 1042723702 /nfs/dbraw/zinc/72/37/02/1042723702.db2.gz XKSWDRXTEBFHQG-UHFFFAOYSA-N 0 3 338.451 4.344 20 30 EIEDHN COc1cc(CN(C)Cc2ccccc2C(C)(C)C#N)cc(OC)c1 ZINC000487392552 1042841590 /nfs/dbraw/zinc/84/15/90/1042841590.db2.gz GTFAZXCETTWWJZ-UHFFFAOYSA-N 0 3 338.451 4.137 20 30 EIEDHN C=CCN(Cc1cccc(C#N)c1)Cc1ccccc1-c1ccnn1C ZINC000507784618 1042928428 /nfs/dbraw/zinc/92/84/28/1042928428.db2.gz MPBOEZPXJXHMQA-UHFFFAOYSA-N 0 3 342.446 4.147 20 30 EIEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000282509986 1043332798 /nfs/dbraw/zinc/33/27/98/1043332798.db2.gz RWZPOWVNMWXXBG-HNNXBMFYSA-N 0 3 345.512 4.141 20 30 EIEDHN C=C1CCN(C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000521253113 1043676546 /nfs/dbraw/zinc/67/65/46/1043676546.db2.gz WWPSHEZBCQKGGA-MRXNPFEDSA-N 0 3 337.891 4.164 20 30 EIEDHN CC(C)CN(Cc1ccc(OCC#N)cc1)Cc1ccccc1F ZINC000731212090 1043713461 /nfs/dbraw/zinc/71/34/61/1043713461.db2.gz RPODTBGQWOPNGX-UHFFFAOYSA-N 0 3 326.415 4.386 20 30 EIEDHN Cn1cc(CN[C@H]2CCc3ccc(-c4ccccc4)cc32)cc1C#N ZINC000191618402 1043830346 /nfs/dbraw/zinc/83/03/46/1043830346.db2.gz PAKVGQDCZWYNTJ-QFIPXVFZSA-N 0 3 327.431 4.341 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CC1)OCCc1ccsc12 ZINC000442891758 1043885980 /nfs/dbraw/zinc/88/59/80/1043885980.db2.gz CWYUNKRBQPTASX-OAHLLOKOSA-N 0 3 338.476 4.245 20 30 EIEDHN CCOc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1OCC ZINC000543184573 1044071950 /nfs/dbraw/zinc/07/19/50/1044071950.db2.gz DHRHIKXFQGIHCF-MRXNPFEDSA-N 0 3 338.451 4.401 20 30 EIEDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245911366 1044210901 /nfs/dbraw/zinc/21/09/01/1044210901.db2.gz FWXQGKRQZIYEKJ-KSFYIVLOSA-N 0 3 342.446 4.152 20 30 EIEDHN C=CCOc1ccc(CN(Cc2cnn(C)c2C)C(C)(C)C)cc1 ZINC000675892604 1044541150 /nfs/dbraw/zinc/54/11/50/1044541150.db2.gz GUHOJNZUXQOPLK-UHFFFAOYSA-N 0 3 327.472 4.094 20 30 EIEDHN C=C[C@@H](C)N[C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000675934455 1044577111 /nfs/dbraw/zinc/57/71/11/1044577111.db2.gz ZQXCOYCFHXEIQL-CHWSQXEVSA-N 0 3 346.496 4.285 20 30 EIEDHN CC(C)(C#N)CCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000443636323 1044581858 /nfs/dbraw/zinc/58/18/58/1044581858.db2.gz AXFRCNRDEVSHNB-UHFFFAOYSA-N 0 3 339.405 4.157 20 30 EIEDHN N#Cc1ccc(CN[C@@H](c2cccs2)C2CC2)c(OC(F)F)c1 ZINC000543439733 1044608937 /nfs/dbraw/zinc/60/89/37/1044608937.db2.gz ICTOTVPLALDNRD-MRXNPFEDSA-N 0 3 334.391 4.462 20 30 EIEDHN C#CCOc1ccc([C@H](C)NCc2cc(OC)nc3ccccc23)cc1 ZINC000766197571 1044614020 /nfs/dbraw/zinc/61/40/20/1044614020.db2.gz FXRSQGLRRYHPBX-INIZCTEOSA-N 0 3 346.430 4.106 20 30 EIEDHN C=CC[C@@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000495049215 1044614314 /nfs/dbraw/zinc/61/43/14/1044614314.db2.gz QZBUYRIFGKSAPV-FCHUYYIVSA-N 0 3 348.490 4.127 20 30 EIEDHN CCN1CCN(c2ccc(N[C@H](C)c3ccc(C#N)cc3)c(C)c2)CC1 ZINC000118443171 1044669326 /nfs/dbraw/zinc/66/93/26/1044669326.db2.gz FLIYABZMPZYTRD-GOSISDBHSA-N 0 3 348.494 4.182 20 30 EIEDHN CC[C@H](C/N=C\c1cc(Cl)ccc1[O-])[N@@H+]1CCc2ccccc2C1 ZINC000914701387 1044677228 /nfs/dbraw/zinc/67/72/28/1044677228.db2.gz HKEDIRXLMFAQAK-JJUBJSHISA-N 0 3 342.870 4.301 20 30 EIEDHN CC[C@H](C/N=C\c1cc(Cl)ccc1[O-])[N@H+]1CCc2ccccc2C1 ZINC000914701387 1044677235 /nfs/dbraw/zinc/67/72/35/1044677235.db2.gz HKEDIRXLMFAQAK-JJUBJSHISA-N 0 3 342.870 4.301 20 30 EIEDHN N#CC(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc2ccccc2n1 ZINC000734964051 1044718023 /nfs/dbraw/zinc/71/80/23/1044718023.db2.gz ROXNWLGAHONIQE-ZNMIVQPWSA-N 0 3 348.352 4.493 20 30 EIEDHN CN(CCCc1cc(-c2ccccc2)no1)Cc1cc(C#N)cs1 ZINC000092664265 1044786316 /nfs/dbraw/zinc/78/63/16/1044786316.db2.gz KIFCQLGUTJTRPZ-UHFFFAOYSA-N 0 3 337.448 4.339 20 30 EIEDHN CN(CCc1ccccc1F)Cc1cc(Cl)ccc1OCC#N ZINC000735309145 1044787162 /nfs/dbraw/zinc/78/71/62/1044787162.db2.gz HBPDXDOANUQKGL-UHFFFAOYSA-N 0 3 332.806 4.056 20 30 EIEDHN CC[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)N(CC)CC ZINC000736003306 1044887417 /nfs/dbraw/zinc/88/74/17/1044887417.db2.gz XOISJDIBYPPEBF-NHCUHLMSSA-N 0 3 349.478 4.401 20 30 EIEDHN Cc1cc(CN2CCSCC2)ccc1NCc1ccc(C#N)cc1 ZINC000125387669 1044989517 /nfs/dbraw/zinc/98/95/17/1044989517.db2.gz DBYBBNGAOWJYHH-UHFFFAOYSA-N 0 3 337.492 4.028 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2c(cccc2F)s1 ZINC000915100699 1045090787 /nfs/dbraw/zinc/09/07/87/1045090787.db2.gz YXSYKIKBKCLOKQ-GFCCVEGCSA-N 0 3 349.390 4.417 20 30 EIEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(Br)c1 ZINC000035231468 1045149382 /nfs/dbraw/zinc/14/93/82/1045149382.db2.gz VBSBVDUJONECGW-CYBMUJFWSA-N 0 3 345.240 4.202 20 30 EIEDHN Cc1cc(CN2CCC(OC3CCC(C)CC3)CC2)ccc1C#N ZINC000487927665 1045206483 /nfs/dbraw/zinc/20/64/83/1045206483.db2.gz GIFRCLDFDJKZCM-UHFFFAOYSA-N 0 3 326.484 4.426 20 30 EIEDHN Cc1ccc(F)c(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000611252118 1045265428 /nfs/dbraw/zinc/26/54/28/1045265428.db2.gz FOIAJVVNADMKCB-NSHDSACASA-N 0 3 343.358 4.129 20 30 EIEDHN CC(=O)N1CC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000611394398 1045299361 /nfs/dbraw/zinc/29/93/61/1045299361.db2.gz HLPOVZPKNSLVFE-LEWJYISDSA-N 0 3 345.446 4.023 20 30 EIEDHN CCc1ccccc1NC(=O)C[C@@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000272317664 1045410849 /nfs/dbraw/zinc/41/08/49/1045410849.db2.gz VEIFOSYJQCTVIB-MRXNPFEDSA-N 0 3 347.462 4.117 20 30 EIEDHN CCC[C@H](NCCOc1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168498678 1045462806 /nfs/dbraw/zinc/46/28/06/1045462806.db2.gz SLCBYMIWSYOAIK-IBGZPJMESA-N 0 3 330.378 4.346 20 30 EIEDHN CCOC(CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OCC ZINC000767825613 1045648535 /nfs/dbraw/zinc/64/85/35/1045648535.db2.gz RDGWGPDSNCBZNQ-MRXNPFEDSA-N 0 3 338.451 4.275 20 30 EIEDHN CN(CCC#N)c1ccc(CN(Cc2cccc(F)c2)C2CC2)cc1 ZINC000768257619 1045769705 /nfs/dbraw/zinc/76/97/05/1045769705.db2.gz NTLIWONIJHPMHY-UHFFFAOYSA-N 0 3 337.442 4.340 20 30 EIEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000614179111 1045807082 /nfs/dbraw/zinc/80/70/82/1045807082.db2.gz COGKEUHKVPUBAE-OAHLLOKOSA-N 0 3 347.462 4.223 20 30 EIEDHN Cc1c([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000248823507 1045886232 /nfs/dbraw/zinc/88/62/32/1045886232.db2.gz LPNQVYMJJYUTNQ-LXZKKBNFSA-N 0 3 326.419 4.053 20 30 EIEDHN N#Cc1cccc(CNCc2ccc(COc3ccccc3)cc2)c1 ZINC000237846847 1046122988 /nfs/dbraw/zinc/12/29/88/1046122988.db2.gz GYSMSAQEHJHISG-UHFFFAOYSA-N 0 3 328.415 4.427 20 30 EIEDHN Cc1nccn1-c1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000192161186 1046205745 /nfs/dbraw/zinc/20/57/45/1046205745.db2.gz UZOIYLHJENNZJZ-CQSZACIVSA-N 0 3 334.398 4.042 20 30 EIEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC000770713324 1046259422 /nfs/dbraw/zinc/25/94/22/1046259422.db2.gz WZKBOZYITABIGT-SFHVURJKSA-N 0 3 333.378 4.010 20 30 EIEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1csc2ccccc21 ZINC000793583322 1046298513 /nfs/dbraw/zinc/29/85/13/1046298513.db2.gz AWVDESBDRAYBJR-CYBMUJFWSA-N 0 3 332.432 4.271 20 30 EIEDHN N#CC[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000796652696 1046331121 /nfs/dbraw/zinc/33/11/21/1046331121.db2.gz CQBGFOVITQQPQM-JKSUJKDBSA-N 0 3 329.359 4.092 20 30 EIEDHN N#Cc1ccc2ncc(CN3CCC[C@@H](c4ccc(F)cc4)CC3)n2c1 ZINC000497151452 1046356430 /nfs/dbraw/zinc/35/64/30/1046356430.db2.gz VVSOWLQIMCFPCH-QGZVFWFLSA-N 0 3 348.425 4.115 20 30 EIEDHN C=CC[C@@H](N[C@H](C)c1sc(CCOC)nc1C)c1ccncc1 ZINC000771392096 1046395662 /nfs/dbraw/zinc/39/56/62/1046395662.db2.gz TWRDQSNCVYWKKF-CZUORRHYSA-N 0 3 331.485 4.003 20 30 EIEDHN C=C[C@@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000126639933 1046509433 /nfs/dbraw/zinc/50/94/33/1046509433.db2.gz HERQPGYHRCQTAL-NRFANRHFSA-N 0 3 348.490 4.081 20 30 EIEDHN N#CC(C(=O)C=Cc1ccsc1)c1nc2ccccc2n1C(F)F ZINC000917041797 1046570780 /nfs/dbraw/zinc/57/07/80/1046570780.db2.gz WLVGFAKNIOJZSC-FOQNGQEVSA-N 0 3 343.358 4.383 20 30 EIEDHN N#Cc1cc(Cl)cc(CNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000929970822 1046833310 /nfs/dbraw/zinc/83/33/10/1046833310.db2.gz HQZCYUFHIDYICX-UHFFFAOYSA-N 0 3 344.817 4.146 20 30 EIEDHN C[C@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786530796 1046845108 /nfs/dbraw/zinc/84/51/08/1046845108.db2.gz JYXDJPRDWKBPLS-CZUORRHYSA-N 0 3 348.874 4.127 20 30 EIEDHN Cc1ccc(C)c(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000917407346 1046874199 /nfs/dbraw/zinc/87/41/99/1046874199.db2.gz XUNILDCRKDEFPZ-OAHLLOKOSA-N 0 3 349.459 4.226 20 30 EIEDHN COc1ccc(C[C@H](C)CN(C)Cc2cccc(C#N)c2F)cc1 ZINC000537045672 1046912218 /nfs/dbraw/zinc/91/22/18/1046912218.db2.gz WTMNCHALHMPQEZ-HNNXBMFYSA-N 0 3 326.415 4.017 20 30 EIEDHN C#CCCOc1ccc(CN2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC000787418619 1047004256 /nfs/dbraw/zinc/00/42/56/1047004256.db2.gz YQTNVKGTXZNYOX-INIZCTEOSA-N 0 3 325.374 4.252 20 30 EIEDHN COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1C#N ZINC000746734228 1047134936 /nfs/dbraw/zinc/13/49/36/1047134936.db2.gz OBFXAURLVORCBS-UHFFFAOYSA-N 0 3 344.414 4.229 20 30 EIEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)c1nccn1-c1ccccc1 ZINC000806619101 1047330883 /nfs/dbraw/zinc/33/08/83/1047330883.db2.gz XSKVGDNKSPBUIB-ICSRJNTNSA-N 0 3 329.447 4.158 20 30 EIEDHN CC(=NNCCc1ccncc1)c1ccc(N2CCCCCC2)cc1 ZINC000789093730 1047372108 /nfs/dbraw/zinc/37/21/08/1047372108.db2.gz KYOHRAAIRMYNRY-UHFFFAOYSA-N 0 3 336.483 4.018 20 30 EIEDHN COc1ccccc1[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000609280809 1047479222 /nfs/dbraw/zinc/47/92/22/1047479222.db2.gz PVQRMJYCYGMIJN-IBGZPJMESA-N 0 3 336.435 4.173 20 30 EIEDHN C=CCOc1ccc(CN[C@H](CC)c2ccc(C(=O)OC)cc2)cc1 ZINC000556194335 1047554870 /nfs/dbraw/zinc/55/48/70/1047554870.db2.gz YJCKWFZSRIYFAA-HXUWFJFHSA-N 0 3 339.435 4.279 20 30 EIEDHN N#Cc1cccc2c1CC[C@H]2Nc1cc(CN2CCCCC2)ccn1 ZINC001171060599 1047892514 /nfs/dbraw/zinc/89/25/14/1047892514.db2.gz HDLAVUVBFMGNQB-HXUWFJFHSA-N 0 3 332.451 4.039 20 30 EIEDHN CN1CCCC[C@@H]1c1ccc(N[C@@H]2CCc3c2cccc3C#N)nc1 ZINC001171064819 1047923784 /nfs/dbraw/zinc/92/37/84/1047923784.db2.gz OAKRQPMXLRMEGB-WOJBJXKFSA-N 0 3 332.451 4.209 20 30 EIEDHN N#Cc1ccccc1O[C@H]1CCCN(Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985802 1048033761 /nfs/dbraw/zinc/03/37/61/1048033761.db2.gz WFCBSPAQNYFLFT-KRWDZBQOSA-N 0 3 349.409 4.222 20 30 EIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000556911696 1048187046 /nfs/dbraw/zinc/18/70/46/1048187046.db2.gz HIAPGMFNFPSABK-OAHLLOKOSA-N 0 3 326.396 4.319 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000556911695 1048187419 /nfs/dbraw/zinc/18/74/19/1048187419.db2.gz HIAPGMFNFPSABK-HNNXBMFYSA-N 0 3 326.396 4.319 20 30 EIEDHN C#CCCOc1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000815153864 1048351990 /nfs/dbraw/zinc/35/19/90/1048351990.db2.gz ZYGMMGFSUIRCGZ-UHFFFAOYSA-N 0 3 349.352 4.119 20 30 EIEDHN CC(C)N(Cc1cncc(C#N)c1)C[C@H](O)c1ccc2ccccc2c1 ZINC001144083223 1048414186 /nfs/dbraw/zinc/41/41/86/1048414186.db2.gz CGKWDVIWMICKGW-QFIPXVFZSA-N 0 3 345.446 4.050 20 30 EIEDHN C#Cc1ccc(CNC2(c3cccc(Br)c3)CC2)cc1 ZINC000809622981 1048438891 /nfs/dbraw/zinc/43/88/91/1048438891.db2.gz NRSHOMFUFFTPOY-UHFFFAOYSA-N 0 3 326.237 4.209 20 30 EIEDHN C#C[C@H](CC)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000809686629 1048474914 /nfs/dbraw/zinc/47/49/14/1048474914.db2.gz GEKBOLZGQNQMOH-CYBMUJFWSA-N 0 3 335.270 4.074 20 30 EIEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H](CC)CCCCCC ZINC001170598766 1048651676 /nfs/dbraw/zinc/65/16/76/1048651676.db2.gz JKGLEDMBMMYTIE-IEBWSBKVSA-N 0 3 333.520 4.271 20 30 EIEDHN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)CC1 ZINC000845441375 1048667380 /nfs/dbraw/zinc/66/73/80/1048667380.db2.gz DUGHGUNAEYRDGM-ZVZYQTTQSA-N 0 3 334.419 4.313 20 30 EIEDHN COc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccc1OC(C)C ZINC000810208590 1048706223 /nfs/dbraw/zinc/70/62/23/1048706223.db2.gz CPJCFHFPZUNOEV-LJQANCHMSA-N 0 3 336.435 4.131 20 30 EIEDHN Cc1cc2cc(CN(C)C[C@H](O)c3cccc(C#N)c3)oc2cc1C ZINC000846005581 1048784135 /nfs/dbraw/zinc/78/41/35/1048784135.db2.gz ADERVUGONSOXRH-FQEVSTJZSA-N 0 3 334.419 4.087 20 30 EIEDHN C=C(C)COc1cc(CN2CCC[C@@]3(CC3(F)F)C2)ccc1OC ZINC000846106472 1048822497 /nfs/dbraw/zinc/82/24/97/1048822497.db2.gz BQDKYLIEPLRORW-GOSISDBHSA-N 0 3 337.410 4.271 20 30 EIEDHN N#Cc1cccc(O[C@@H]2CCCN(Cc3ccc4scnc4c3)C2)c1 ZINC001144743356 1048848630 /nfs/dbraw/zinc/84/86/30/1048848630.db2.gz KDPCFZJCODDSSB-GOSISDBHSA-N 0 3 349.459 4.211 20 30 EIEDHN C#C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000811517579 1049102290 /nfs/dbraw/zinc/10/22/90/1049102290.db2.gz WPWVHRBYPPTJLZ-OAQYLSRUSA-N 0 3 349.865 4.145 20 30 EIEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)c1ccsc1 ZINC000609961262 1049421538 /nfs/dbraw/zinc/42/15/38/1049421538.db2.gz FXVXUGZOAGFYKN-HNNXBMFYSA-N 0 3 339.386 4.353 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2ccc(SC)c(F)c2)cc1C#N ZINC000773072611 1049562974 /nfs/dbraw/zinc/56/29/74/1049562974.db2.gz ARAWNLCLVJSSQR-LBPRGKRZSA-N 0 3 330.428 4.279 20 30 EIEDHN C#C[C@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812795114 1049594286 /nfs/dbraw/zinc/59/42/86/1049594286.db2.gz LVXKGLMJHAYERY-KSSFIOAISA-N 0 3 326.371 4.019 20 30 EIEDHN C#C[C@@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812795115 1049595490 /nfs/dbraw/zinc/59/54/90/1049595490.db2.gz LVXKGLMJHAYERY-RDTXWAMCSA-N 0 3 326.371 4.019 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000237583023 1049635252 /nfs/dbraw/zinc/63/52/52/1049635252.db2.gz OZWKWOQBFNHQNY-ZIAGYGMSSA-N 0 3 346.377 4.430 20 30 EIEDHN Cn1cc(CN(Cc2ccc(C#N)cc2)C2CC2)c(-c2ccccc2)n1 ZINC000179679139 1049711267 /nfs/dbraw/zinc/71/12/67/1049711267.db2.gz VQDQNJPPTYJEHA-UHFFFAOYSA-N 0 3 342.446 4.123 20 30 EIEDHN C=CCC(C)(C)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001133672499 1049726850 /nfs/dbraw/zinc/72/68/50/1049726850.db2.gz CBPSNRHGQLFEDY-UHFFFAOYSA-N 0 3 328.378 4.308 20 30 EIEDHN COc1cc(Cl)cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1[O-] ZINC000822525571 1049767568 /nfs/dbraw/zinc/76/75/68/1049767568.db2.gz IPDDBUYTDJQVPH-GFCCVEGCSA-N 0 3 330.815 4.119 20 30 EIEDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1[O-] ZINC000822525571 1049767573 /nfs/dbraw/zinc/76/75/73/1049767573.db2.gz IPDDBUYTDJQVPH-GFCCVEGCSA-N 0 3 330.815 4.119 20 30 EIEDHN C=C[C@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC001171835620 1049811860 /nfs/dbraw/zinc/81/18/60/1049811860.db2.gz LESLXLYCKFSIOH-VXKWHMMOSA-N 0 3 348.490 4.127 20 30 EIEDHN C#CCCOc1ccc(CNCc2cccc(SCC)c2)cc1 ZINC000813791066 1049817251 /nfs/dbraw/zinc/81/72/51/1049817251.db2.gz QETNRSMHBQBULT-UHFFFAOYSA-N 0 3 325.477 4.491 20 30 EIEDHN CCSc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000813791010 1049817511 /nfs/dbraw/zinc/81/75/11/1049817511.db2.gz NWUZJJCIKPHZQT-OAHLLOKOSA-N 0 3 326.465 4.379 20 30 EIEDHN CC(C)(NCc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC001171911411 1049818137 /nfs/dbraw/zinc/81/81/37/1049818137.db2.gz MADYLOJYXRLLGK-UHFFFAOYSA-N 0 3 329.241 4.346 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2sccc2s1 ZINC000617896349 1050123100 /nfs/dbraw/zinc/12/31/00/1050123100.db2.gz HXGXDHSLCMLKPL-SNVBAGLBSA-N 0 3 337.429 4.340 20 30 EIEDHN CC(C)[C@H](C#N)OC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000181532628 1050176904 /nfs/dbraw/zinc/17/69/04/1050176904.db2.gz ZTBUPPUDJOUPSD-FQEVSTJZSA-N 0 3 336.435 4.024 20 30 EIEDHN CCCOCc1ccccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000181529964 1050184399 /nfs/dbraw/zinc/18/43/99/1050184399.db2.gz MVINOJOJFNBTSN-QGZVFWFLSA-N 0 3 338.451 4.366 20 30 EIEDHN Cc1cc(Br)cc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000774966221 1050211524 /nfs/dbraw/zinc/21/15/24/1050211524.db2.gz XQHOCBRIAZQGQI-ZDUSSCGKSA-N 0 3 329.241 4.480 20 30 EIEDHN C=CCc1cc(CNCc2ccc(OC)cc2C)cc(OC)c1OC ZINC001177753928 1050293881 /nfs/dbraw/zinc/29/38/81/1050293881.db2.gz XMCBYIZKYZKTPE-UHFFFAOYSA-N 0 3 341.451 4.039 20 30 EIEDHN C[C@H](NCc1cc(N(C)C)nc2ccccc12)c1cccc(C#N)c1 ZINC000181842916 1050352524 /nfs/dbraw/zinc/35/25/24/1050352524.db2.gz UGFUJUDAYNNEHJ-HNNXBMFYSA-N 0 3 330.435 4.023 20 30 EIEDHN Cc1cc(CN2CCC(OCc3ccccc3F)CC2)ccc1C#N ZINC000618601938 1050434498 /nfs/dbraw/zinc/43/44/98/1050434498.db2.gz WHPRRBYSTIFPAT-UHFFFAOYSA-N 0 3 338.426 4.187 20 30 EIEDHN COc1cc(C)c([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618807450 1050536838 /nfs/dbraw/zinc/53/68/38/1050536838.db2.gz ZKTRIEFESNYPOE-IFXJQAMLSA-N 0 3 336.435 4.222 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(F)cc1C(F)(F)F ZINC000618831444 1050544638 /nfs/dbraw/zinc/54/46/38/1050544638.db2.gz SELLIULQVJPSSC-QGZVFWFLSA-N 0 3 334.316 4.493 20 30 EIEDHN CC(C)(C)OC(=O)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618831260 1050545354 /nfs/dbraw/zinc/54/53/54/1050545354.db2.gz CYGOGFFYRFGRFM-FQEVSTJZSA-N 0 3 348.446 4.291 20 30 EIEDHN N#CCCn1cc(CN2CCC3(CCCC3)CC2)c(-c2ccncc2)n1 ZINC000619073137 1050636905 /nfs/dbraw/zinc/63/69/05/1050636905.db2.gz CAWHCBFFWMXXHU-UHFFFAOYSA-N 0 3 349.482 4.015 20 30 EIEDHN CN(C)Cc1ccccc1Nc1cc(F)c(Br)cc1C#N ZINC001173931521 1050652870 /nfs/dbraw/zinc/65/28/70/1050652870.db2.gz KTZQTWXPJOCYPD-UHFFFAOYSA-N 0 3 348.219 4.265 20 30 EIEDHN COc1cc(CNCc2cn(C(F)F)c3ccccc23)ccc1C#N ZINC001179324986 1050675120 /nfs/dbraw/zinc/67/51/20/1050675120.db2.gz HOCWMQKPCVXWRN-UHFFFAOYSA-N 0 3 341.361 4.206 20 30 EIEDHN COc1ccc2c(c1)OCC[C@H]2N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508417 1050796857 /nfs/dbraw/zinc/79/68/57/1050796857.db2.gz PXNVISQKOOVRCA-LEWJYISDSA-N 0 3 348.446 4.448 20 30 EIEDHN COc1cc(C)c([C@H](C)NCc2ccc(C#N)c(Cl)c2)cc1OC ZINC000619755334 1050882851 /nfs/dbraw/zinc/88/28/51/1050882851.db2.gz XGTLACTUQNXJDF-ZDUSSCGKSA-N 0 3 344.842 4.388 20 30 EIEDHN CCCCCCCNCc1cccc(Cl)c1S(=O)(=O)CC ZINC000775301106 1051049913 /nfs/dbraw/zinc/04/99/13/1051049913.db2.gz VNTJAIBKRDRFIU-UHFFFAOYSA-N 0 3 331.909 4.194 20 30 EIEDHN COc1cccc2cc(CN[C@@H]3CCCc4cc(C#N)ccc43)oc21 ZINC000775381741 1051163679 /nfs/dbraw/zinc/16/36/79/1051163679.db2.gz UXMYZLIXMBNKFM-LJQANCHMSA-N 0 3 332.403 4.480 20 30 EIEDHN C=C(C)Nc1ccccc1CN(C)C[C@@H](O)c1ccc(Cl)cc1 ZINC001174794759 1051196274 /nfs/dbraw/zinc/19/62/74/1051196274.db2.gz IZAGRDQQDOGSNP-LJQANCHMSA-N 0 3 330.859 4.451 20 30 EIEDHN CC[C@](C)(NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000775392138 1051210322 /nfs/dbraw/zinc/21/03/22/1051210322.db2.gz YROMPQGGYAFTMN-IBGZPJMESA-N 0 3 341.842 4.065 20 30 EIEDHN CCCN(CC(=O)Nc1cccc(C#N)c1)[C@H](CC)c1ccccc1 ZINC001190582342 1051225223 /nfs/dbraw/zinc/22/52/23/1051225223.db2.gz WLOGVYWEVNURQO-HXUWFJFHSA-N 0 3 335.451 4.360 20 30 EIEDHN C#CC[C@@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC000775400251 1051235006 /nfs/dbraw/zinc/23/50/06/1051235006.db2.gz NKJAMVAHRDQFIS-HXUWFJFHSA-N 0 3 335.447 4.496 20 30 EIEDHN C#C[C@@H](N[C@@H](C)CCc1ccco1)c1ccc(Br)cc1 ZINC001182035451 1051377692 /nfs/dbraw/zinc/37/76/92/1051377692.db2.gz ZJWVBWTWLHCDLX-SUMWQHHRSA-N 0 3 332.241 4.327 20 30 EIEDHN CCCCN(CC)[C@H](C(=O)N[C@](C)(C#N)CC(C)C)c1ccccc1 ZINC001182234832 1051431475 /nfs/dbraw/zinc/43/14/75/1051431475.db2.gz GPJROZXWYQAHKE-FPOVZHCZSA-N 0 3 343.515 4.294 20 30 EIEDHN C=CCCC[C@@H](NCC(=O)N(CC)CC(F)(F)F)c1ccccc1 ZINC001175776244 1051779393 /nfs/dbraw/zinc/77/93/93/1051779393.db2.gz WKIPWECXNVHKAA-MRXNPFEDSA-N 0 3 342.405 4.084 20 30 EIEDHN Cc1ccc(C)c([C@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC001193011492 1051852265 /nfs/dbraw/zinc/85/22/65/1051852265.db2.gz JFBXOAYBVPWJQR-AWEZNQCLSA-N 0 3 341.842 4.118 20 30 EIEDHN C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000184376743 1051930920 /nfs/dbraw/zinc/93/09/20/1051930920.db2.gz KYRCHALDDHZYEA-ZDUSSCGKSA-N 0 3 335.432 4.062 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCCC[C@H](C)C2)c1 ZINC001193516537 1051943213 /nfs/dbraw/zinc/94/32/13/1051943213.db2.gz CYDUJDALETUSQH-QFBILLFUSA-N 0 3 341.499 4.061 20 30 EIEDHN CC(C)C[C@@H](Cc1cccc(Cl)c1)NCC1(C#N)CCOCC1 ZINC001184278857 1051986559 /nfs/dbraw/zinc/98/65/59/1051986559.db2.gz WFWJLFPMTZNTAG-SFHVURJKSA-N 0 3 334.891 4.207 20 30 EIEDHN CC1(C)CCN(CC#Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC001193955480 1052032120 /nfs/dbraw/zinc/03/21/20/1052032120.db2.gz OFBMFJXGISXPLU-UHFFFAOYSA-N 0 3 327.415 4.274 20 30 EIEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(Br)c(F)c1 ZINC000131101494 1052174532 /nfs/dbraw/zinc/17/45/32/1052174532.db2.gz ZDUIWYGETHVVPJ-NSHDSACASA-N 0 3 333.204 4.311 20 30 EIEDHN CN(CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)CC(C)(C)C#N ZINC001194598545 1052175166 /nfs/dbraw/zinc/17/51/66/1052175166.db2.gz CENWJQXTVLRMMX-ALOPSCKCSA-N 0 3 349.519 4.036 20 30 EIEDHN C=CCOc1ccc(CN(Cc2ccc(CO)o2)C(C)(C)C)cc1 ZINC000179722766 1052750551 /nfs/dbraw/zinc/75/05/51/1052750551.db2.gz DUUFRULASHJQMB-UHFFFAOYSA-N 0 3 329.440 4.137 20 30 EIEDHN C=CCC[C@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000180039883 1052775047 /nfs/dbraw/zinc/77/50/47/1052775047.db2.gz ZXNGFRNNCVUYDE-KRWDZBQOSA-N 0 3 330.378 4.200 20 30 EIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2ccc3c(c2)OCO3)cc1 ZINC000764526986 1053158758 /nfs/dbraw/zinc/15/87/58/1053158758.db2.gz LXPYTNIMCWMFLO-AWEZNQCLSA-N 0 3 345.826 4.397 20 30 EIEDHN N#CC(C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000850738271 1053344067 /nfs/dbraw/zinc/34/40/67/1053344067.db2.gz JFTYJMSAOMYBPD-FGTMMUONSA-N 0 3 343.430 4.398 20 30 EIEDHN N#CCC[C@H](NC[C@@H](O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000775654975 1053393281 /nfs/dbraw/zinc/39/32/81/1053393281.db2.gz KLNFFAVDZRCUAT-ZWKOTPCHSA-N 0 3 332.806 4.147 20 30 EIEDHN C=CCN(CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H](C)COC ZINC001196048024 1053570941 /nfs/dbraw/zinc/57/09/41/1053570941.db2.gz LMFZDHRJBIDWDE-FQEVSTJZSA-N 0 3 348.490 4.409 20 30 EIEDHN N#Cc1ccccc1N1CCC(NCc2cscc2Cl)CC1 ZINC000865696099 1053575135 /nfs/dbraw/zinc/57/51/35/1053575135.db2.gz VMJHUJGSKPGMDB-UHFFFAOYSA-N 0 3 331.872 4.032 20 30 EIEDHN N#Cc1ccc2c(CN3CCC(Oc4ccccc4)CC3)c[nH]c2c1 ZINC001142911950 1053663821 /nfs/dbraw/zinc/66/38/21/1053663821.db2.gz PMSINWJZCBNEEO-UHFFFAOYSA-N 0 3 331.419 4.083 20 30 EIEDHN Cc1cc(Cl)ccc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC001196421163 1053669714 /nfs/dbraw/zinc/66/97/14/1053669714.db2.gz WLMMLYBJQHQTLI-UHFFFAOYSA-N 0 3 325.843 4.295 20 30 EIEDHN C=C(C)[C@@H](NC[C@@H](O)c1ccc(F)cc1C)c1ccc(F)c(F)c1 ZINC000775726241 1053695037 /nfs/dbraw/zinc/69/50/37/1053695037.db2.gz ZSFDYCUQMGMZBY-RTBURBONSA-N 0 3 335.369 4.353 20 30 EIEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCCn3nccc32)cc1 ZINC000866632901 1053811724 /nfs/dbraw/zinc/81/17/24/1053811724.db2.gz PVODJXIDYXUBCD-YOEHRIQHSA-N 0 3 331.847 4.200 20 30 EIEDHN Clc1ccc(C#CCN2CCC[C@@H](c3c[nH]c4ncccc34)C2)cc1 ZINC001196984102 1053817406 /nfs/dbraw/zinc/81/74/06/1053817406.db2.gz XSIYCYNVKJGPFO-QGZVFWFLSA-N 0 3 349.865 4.447 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776747082 1053825291 /nfs/dbraw/zinc/82/52/91/1053825291.db2.gz XJGAAYOMFPGXFH-RDTXWAMCSA-N 0 3 337.398 4.229 20 30 EIEDHN N#Cc1cc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)ccc1F ZINC000121779002 1053848285 /nfs/dbraw/zinc/84/82/85/1053848285.db2.gz LLSPOUMBOVUFHF-IEBWSBKVSA-N 0 3 342.414 4.159 20 30 EIEDHN CC[C@@]1(CCc2ccccc2)CCCN1Cc1nc(C#N)cs1 ZINC001197357767 1053881668 /nfs/dbraw/zinc/88/16/68/1053881668.db2.gz DJFJMTIHYRCDLH-IBGZPJMESA-N 0 3 325.481 4.392 20 30 EIEDHN Cc1ccc2[nH]c([C@H]3CCCN(Cc4cc(C#N)ccc4F)C3)nc2c1 ZINC000130774006 1053925860 /nfs/dbraw/zinc/92/58/60/1053925860.db2.gz QGRQQELHSCRNEG-INIZCTEOSA-N 0 3 348.425 4.262 20 30 EIEDHN Cc1ccc2nc([C@H]3CCCN(Cc4cc(C#N)ccc4F)C3)[nH]c2c1 ZINC000130774006 1053925875 /nfs/dbraw/zinc/92/58/75/1053925875.db2.gz QGRQQELHSCRNEG-INIZCTEOSA-N 0 3 348.425 4.262 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000113952593 1054028003 /nfs/dbraw/zinc/02/80/03/1054028003.db2.gz GBKMPUOECARZIJ-XJKSGUPXSA-N 0 3 330.378 4.497 20 30 EIEDHN C#CCC1(NCc2nc(C)c(Br)s2)CCCCC1 ZINC001198085443 1054069018 /nfs/dbraw/zinc/06/90/18/1054069018.db2.gz UKJXPSRTBYSRNC-UHFFFAOYSA-N 0 3 327.291 4.030 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000872129858 1054404018 /nfs/dbraw/zinc/40/40/18/1054404018.db2.gz FNDNKFZRNMYBAF-QWHCGFSZSA-N 0 3 349.356 4.415 20 30 EIEDHN C#CCCOc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776014460 1054439135 /nfs/dbraw/zinc/43/91/35/1054439135.db2.gz RTFXJXFOCHCEII-WMLDXEAASA-N 0 3 325.374 4.252 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(C(F)(F)F)s2)cc1 ZINC000873156301 1054494973 /nfs/dbraw/zinc/49/49/73/1054494973.db2.gz UEZDQOYEBHDTKU-LLVKDONJSA-N 0 3 340.370 4.348 20 30 EIEDHN C#CCCOc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000124604516 1054586036 /nfs/dbraw/zinc/58/60/36/1054586036.db2.gz MOQCFZZPNAFKJF-QHCPKHFHSA-N 0 3 349.474 4.034 20 30 EIEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CCOCCC#N ZINC000339018867 1054686594 /nfs/dbraw/zinc/68/65/94/1054686594.db2.gz JLJKHZPMXSENJD-HNNXBMFYSA-N 0 3 329.469 4.042 20 30 EIEDHN COc1cc(C#N)cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001201483331 1054833098 /nfs/dbraw/zinc/83/30/98/1054833098.db2.gz VTAMYAQPNIUJQK-RTWAWAEBSA-N 0 3 345.446 4.300 20 30 EIEDHN CN1CCc2ccc(Nc3ccc(C(F)(F)F)cc3C#N)cc2C1 ZINC001201699078 1054880660 /nfs/dbraw/zinc/88/06/60/1054880660.db2.gz IBAIUXBJYVPXBY-UHFFFAOYSA-N 0 3 331.341 4.309 20 30 EIEDHN CCCCCCCN1CCC(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001201804076 1054909650 /nfs/dbraw/zinc/90/96/50/1054909650.db2.gz AAXWVRWYZVXWAP-UHFFFAOYSA-N 0 3 337.529 4.240 20 30 EIEDHN CCCCCCCN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001201776868 1054917308 /nfs/dbraw/zinc/91/73/08/1054917308.db2.gz OJNQMVDOPWUIMN-QHAWAJNXSA-N 0 3 346.515 4.048 20 30 EIEDHN CCCCCCCCCCN1CCCn2nnc(COCC)c2C1 ZINC001201875278 1054941208 /nfs/dbraw/zinc/94/12/08/1054941208.db2.gz TUVZCTFPBCCKFX-UHFFFAOYSA-N 0 3 336.524 4.161 20 30 EIEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000876678369 1054945341 /nfs/dbraw/zinc/94/53/41/1054945341.db2.gz LJUQDISBCSNGNU-CQSZACIVSA-N 0 3 326.893 4.045 20 30 EIEDHN CC(=O)[C@](C#N)(CCN1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000877903635 1055148925 /nfs/dbraw/zinc/14/89/25/1055148925.db2.gz ZILHSWGVTIEIMZ-AZUAARDMSA-N 0 3 338.476 4.326 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(C)[C@H](C)Cc1ccc(C)cc1)c1ccccc1 ZINC000878120921 1055191616 /nfs/dbraw/zinc/19/16/16/1055191616.db2.gz PGLSVHYKFCWZOH-XXBNENTESA-N 0 3 348.490 4.299 20 30 EIEDHN N#Cc1csc(CN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000091069129 1055514990 /nfs/dbraw/zinc/51/49/90/1055514990.db2.gz CUILOTRITDZFNM-HOTGVXAUSA-N 0 3 336.819 4.032 20 30 EIEDHN N#Cc1cc(C(F)(F)F)ccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000301106723 1055897332 /nfs/dbraw/zinc/89/73/32/1055897332.db2.gz RFYURMOIYRSYRZ-INIZCTEOSA-N 0 3 349.356 4.419 20 30 EIEDHN CCN(CC)[C@H](CNc1c(C#N)cnc2ccccc21)c1ccco1 ZINC000301332944 1055921763 /nfs/dbraw/zinc/92/17/63/1055921763.db2.gz BWSPHRFDHRSDAY-GOSISDBHSA-N 0 3 334.423 4.194 20 30 EIEDHN Cc1ccc([C@H](CNc2ccc3cc(C#N)ccc3n2)N2CCCC2)o1 ZINC000301988215 1056005504 /nfs/dbraw/zinc/00/55/04/1056005504.db2.gz WATQMRKEJFAOJZ-IBGZPJMESA-N 0 3 346.434 4.257 20 30 EIEDHN CC(=O)c1ccc(C#N)c(N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000302134387 1056021093 /nfs/dbraw/zinc/02/10/93/1056021093.db2.gz ZJTYQQKSSAOKAZ-IERDGZPVSA-N 0 3 347.462 4.226 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccnc(N2CCCCCC2)c1 ZINC000921705616 1056060916 /nfs/dbraw/zinc/06/09/16/1056060916.db2.gz JNMNXELELNBGNI-UHFFFAOYSA-N 0 3 348.494 4.240 20 30 EIEDHN C[C@H](NCc1cc(F)cc(Br)c1)c1ccc(C#N)cc1 ZINC000091436976 1056129923 /nfs/dbraw/zinc/12/99/23/1056129923.db2.gz JDJJJLWZAJKOJF-NSHDSACASA-N 0 3 333.204 4.311 20 30 EIEDHN CC(C)(C)[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000108852121 1056147142 /nfs/dbraw/zinc/14/71/42/1056147142.db2.gz QDJURXNHWTWCQA-IBGZPJMESA-N 0 3 339.414 4.013 20 30 EIEDHN COc1ccc(CN[C@@H](c2cccnc2)C2CCCCC2)cc1C#N ZINC000742369758 1058595849 /nfs/dbraw/zinc/59/58/49/1058595849.db2.gz QMSSXWRZHXZIOG-OAQYLSRUSA-N 0 3 335.451 4.373 20 30 EIEDHN CN(CCC#N)c1ccc(CN[C@H]2CSCc3ccccc32)cc1 ZINC000742725183 1058741170 /nfs/dbraw/zinc/74/11/70/1058741170.db2.gz IUTNXTIQNVIAHC-FQEVSTJZSA-N 0 3 337.492 4.114 20 30 EIEDHN CCO[C@@H]1C[C@@H](/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])C12CCCC2 ZINC000743043800 1058848574 /nfs/dbraw/zinc/84/85/74/1058848574.db2.gz ADTWWYLHFFOTGY-ZMQDARQRSA-N 0 3 344.499 4.395 20 30 EIEDHN CCS[C@H]1CC[C@@H](N(C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743869124 1059184472 /nfs/dbraw/zinc/18/44/72/1059184472.db2.gz LSCYMGCTQGEDOK-CVEARBPZSA-N 0 3 338.904 4.348 20 30 EIEDHN N#CC(C(=O)CCC(=O)c1ccccc1)c1ccc2ccccc2n1 ZINC000744016716 1059222430 /nfs/dbraw/zinc/22/24/30/1059222430.db2.gz SFGSBDAQZMABLJ-QGZVFWFLSA-N 0 3 328.371 4.074 20 30 EIEDHN CN(C)/C=N/c1ccc(NCc2c(Cl)cncc2Cl)cc1C#N ZINC001169186960 1060679096 /nfs/dbraw/zinc/67/90/96/1060679096.db2.gz XEMGFIRJYDTZBX-LSHDLFTRSA-N 0 3 348.237 4.094 20 30 EIEDHN C#CCCCCCCN1CCC[C@@]1(Cc1ccccc1)C(=O)OCC ZINC001169261976 1060711027 /nfs/dbraw/zinc/71/10/27/1060711027.db2.gz SPIJRDCREQRRAF-JOCHJYFZSA-N 0 3 341.495 4.211 20 30 EIEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(C(C)(C)C)CC1 ZINC001169306616 1060764118 /nfs/dbraw/zinc/76/41/18/1060764118.db2.gz HXIFJJSPEGTEAT-BATSVXPKSA-N 0 3 347.547 4.064 20 30 EIEDHN CS[C@H](C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000103330487 1060907049 /nfs/dbraw/zinc/90/70/49/1060907049.db2.gz NZXYEIQNUVQJMQ-BXKDBHETSA-N 0 3 336.869 4.391 20 30 EIEDHN N#Cc1cnc2ccccc2c1NC1CCN(Cc2ccccc2)CC1 ZINC000097393464 219020800 /nfs/dbraw/zinc/02/08/00/219020800.db2.gz ZYDJGONPUOWIMS-UHFFFAOYSA-N 0 3 342.446 4.183 20 30 EIEDHN C[C@@H]1CCc2c(C(=O)C(C#N)c3nc4ccccc4n3C)csc2C1 ZINC000122641074 222128882 /nfs/dbraw/zinc/12/88/82/222128882.db2.gz FLDDOXRTOXTIKJ-TZMCWYRMSA-N 0 3 349.459 4.250 20 30 EIEDHN C#CCOc1ccccc1CNCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000729681734 1032130443 /nfs/dbraw/zinc/13/04/43/1032130443.db2.gz JJPITOZJEXWPGZ-UHFFFAOYSA-N 0 3 332.447 4.395 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](CC)c2ccc3c(c2)OCCO3)cc1 ZINC000236943783 1032211381 /nfs/dbraw/zinc/21/13/81/1032211381.db2.gz XTGJTTJGPURXBR-IBGZPJMESA-N 0 3 339.435 4.264 20 30 EIEDHN Cc1cc(N(CCC#N)C(=O)CN(CC2CC2)C(C)C)ccc1Cl ZINC000533036940 1032452403 /nfs/dbraw/zinc/45/24/03/1032452403.db2.gz XGRIFHUFUYDQPO-UHFFFAOYSA-N 0 3 347.890 4.016 20 30 EIEDHN CCCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC(C)C ZINC000533251069 1032565266 /nfs/dbraw/zinc/56/52/66/1032565266.db2.gz ANECTWMQKGSEKC-INIZCTEOSA-N 0 3 347.528 4.245 20 30 EIEDHN C=C(C)COc1cccc(NC2CCN(Cc3ccncc3)CC2)c1 ZINC000180456118 1032592006 /nfs/dbraw/zinc/59/20/06/1032592006.db2.gz DOFCRHUCXCYJRQ-UHFFFAOYSA-N 0 3 337.467 4.113 20 30 EIEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429577266 1032787036 /nfs/dbraw/zinc/78/70/36/1032787036.db2.gz FDHWYZSGPBMAIK-OWCLPIDISA-N 0 3 345.512 4.140 20 30 EIEDHN CN(Cc1ccccc1)Cc1cccc(C(=O)OCC(C)(C)C#N)c1 ZINC000784931026 1019209036 /nfs/dbraw/zinc/20/90/36/1019209036.db2.gz ZWHRDLGRGRPJEI-UHFFFAOYSA-N 0 3 336.435 4.025 20 30 EIEDHN Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000339657955 1019781481 /nfs/dbraw/zinc/78/14/81/1019781481.db2.gz JHQBNFMGIBULTQ-GOSISDBHSA-N 0 3 348.425 4.020 20 30 EIEDHN C=CCCCCCN1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001209432964 1020329424 /nfs/dbraw/zinc/32/94/24/1020329424.db2.gz OLTLWUGRUQQUNB-UHFFFAOYSA-N 0 3 336.483 4.012 20 30 EIEDHN CCCN(Cc1cccc(C(=O)OC)c1C#N)CC1CCCCC1 ZINC001167146900 1020377217 /nfs/dbraw/zinc/37/72/17/1020377217.db2.gz QTHYVSZHFPEDOW-UHFFFAOYSA-N 0 3 328.456 4.137 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1C#N ZINC000176747872 1020915877 /nfs/dbraw/zinc/91/58/77/1020915877.db2.gz HDGWFEUQSRIGGN-INIZCTEOSA-N 0 3 343.430 4.480 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000069787405 1021024640 /nfs/dbraw/zinc/02/46/40/1021024640.db2.gz BRCJILTXAREEEE-HNNXBMFYSA-N 0 3 327.424 4.119 20 30 EIEDHN Cc1cc2ncc([C@H](C)N[C@H](CCCC#N)c3ccccc3)c(C)n2n1 ZINC000340444774 1021039607 /nfs/dbraw/zinc/03/96/07/1021039607.db2.gz JKSPBOMTOKUSLO-OXJNMPFZSA-N 0 3 347.466 4.432 20 30 EIEDHN C=CC[C@@H](CC)N[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000500823948 1032958896 /nfs/dbraw/zinc/95/88/96/1032958896.db2.gz ANZMZYUDSHTHEF-XLIONFOSSA-N 0 3 338.451 4.319 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1Cl ZINC000092071444 1021458456 /nfs/dbraw/zinc/45/84/56/1021458456.db2.gz AKFYQXHXRCXDKQ-HNNXBMFYSA-N 0 3 331.847 4.008 20 30 EIEDHN Cc1ccc(OCCCC(=O)C(C#N)c2nc3ccccc3o2)c(C)c1 ZINC000178108326 1021963766 /nfs/dbraw/zinc/96/37/66/1021963766.db2.gz ZTLBNCZEHJXFIE-INIZCTEOSA-N 0 3 348.402 4.480 20 30 EIEDHN CN(C)[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)c1cccs1 ZINC000613409224 1021979322 /nfs/dbraw/zinc/97/93/22/1021979322.db2.gz PNPXMPCNDVSBSD-AWEZNQCLSA-N 0 3 328.485 4.027 20 30 EIEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc2ccccc2c1 ZINC000175942740 1022001834 /nfs/dbraw/zinc/00/18/34/1022001834.db2.gz MJTBLPGRBHAUNJ-FOIQADDNSA-N 0 3 348.446 4.101 20 30 EIEDHN Cc1c([C@H](C)NCC(C)(C)CC#N)cnn1-c1cccc(Cl)c1 ZINC000414168114 1022014309 /nfs/dbraw/zinc/01/43/09/1022014309.db2.gz QGVMUSMKXKOMFN-ZDUSSCGKSA-N 0 3 330.863 4.425 20 30 EIEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000472562677 1022258328 /nfs/dbraw/zinc/25/83/28/1022258328.db2.gz IWMAXBNOTAQASZ-APWZRJJASA-N 0 3 327.472 4.081 20 30 EIEDHN CC(C)Oc1ccccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000106353589 1022423838 /nfs/dbraw/zinc/42/38/38/1022423838.db2.gz IZVNCYAWJKONMJ-CQSZACIVSA-N 0 3 348.324 4.378 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000180345623 1022575656 /nfs/dbraw/zinc/57/56/56/1022575656.db2.gz YQYRHTRNFDEZSC-HZPDHXFCSA-N 0 3 336.819 4.032 20 30 EIEDHN CC(C)[C@@H](C#N)OC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000181532609 1022670345 /nfs/dbraw/zinc/67/03/45/1022670345.db2.gz ZTBUPPUDJOUPSD-HXUWFJFHSA-N 0 3 336.435 4.024 20 30 EIEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(Br)cc1 ZINC000181113407 1022890851 /nfs/dbraw/zinc/89/08/51/1022890851.db2.gz SJCKJMKIIIHCTM-LLVKDONJSA-N 0 3 333.204 4.311 20 30 EIEDHN COc1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000135172321 1023174941 /nfs/dbraw/zinc/17/49/41/1023174941.db2.gz OLAFYXNKHZSTKG-MRXNPFEDSA-N 0 3 347.418 4.088 20 30 EIEDHN COc1ncc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1Cl ZINC000417374738 1023288991 /nfs/dbraw/zinc/28/89/91/1023288991.db2.gz YNQQURBDPLXFHN-SGTLLEGYSA-N 0 3 341.842 4.343 20 30 EIEDHN CN(C)C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000581518571 1023323987 /nfs/dbraw/zinc/32/39/87/1023323987.db2.gz IWXUYVQSZZOAIB-UXHICEINSA-N 0 3 339.870 4.091 20 30 EIEDHN N#CCC[C@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000759864981 1023752506 /nfs/dbraw/zinc/75/25/06/1023752506.db2.gz JWOZNMUVBMAQIG-ZWKOTPCHSA-N 0 3 332.806 4.147 20 30 EIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000661117086 1024247663 /nfs/dbraw/zinc/24/76/63/1024247663.db2.gz OAQAMXKEEIBIIX-DOMZBBRYSA-N 0 3 331.847 4.213 20 30 EIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000661117087 1024251213 /nfs/dbraw/zinc/25/12/13/1024251213.db2.gz OAQAMXKEEIBIIX-IUODEOHRSA-N 0 3 331.847 4.213 20 30 EIEDHN CC(C)c1ccc([C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(C)C)cc1 ZINC000510923212 1024824388 /nfs/dbraw/zinc/82/43/88/1024824388.db2.gz XAALQDHTKBUWEX-RTWAWAEBSA-N 0 3 343.515 4.151 20 30 EIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000662080204 1024851011 /nfs/dbraw/zinc/85/10/11/1024851011.db2.gz NVMORCQWDOFFRM-ZYSHUDEJSA-N 0 3 326.484 4.321 20 30 EIEDHN C=C(C)CCN1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001167804715 1025282592 /nfs/dbraw/zinc/28/25/92/1025282592.db2.gz QQRGUNDFPPYBFJ-UHFFFAOYSA-N 0 3 345.487 4.033 20 30 EIEDHN COc1ccc(CN(Cc2ccc(C#N)s2)[C@H](C)C2CC2)cc1 ZINC000506725635 1025489010 /nfs/dbraw/zinc/48/90/10/1025489010.db2.gz IBFJXIZJJXXZOO-CQSZACIVSA-N 0 3 326.465 4.429 20 30 EIEDHN CC(C)(CCC#N)CNCc1c(F)ccc(Br)c1F ZINC000342286926 1025778488 /nfs/dbraw/zinc/77/84/88/1025778488.db2.gz UNSBCIRQTHRVHA-UHFFFAOYSA-N 0 3 331.204 4.147 20 30 EIEDHN CC(C)c1ccc2c(c1)[C@H](NCc1cnc3ccc(C#N)cn13)CC2 ZINC000585767400 1025828404 /nfs/dbraw/zinc/82/84/04/1025828404.db2.gz LSVQOCYJWSJTOO-HXUWFJFHSA-N 0 3 330.435 4.106 20 30 EIEDHN C[C@H](NCCc1cc(C(F)(F)F)ccn1)c1ccc(C#N)cc1F ZINC000519531871 1025965291 /nfs/dbraw/zinc/96/52/91/1025965291.db2.gz OFWJPQXKHAYSMH-NSHDSACASA-N 0 3 337.320 4.004 20 30 EIEDHN COc1cc(CN[C@@H](C)c2ccc(SC)c(OC)c2)ccc1C#N ZINC000582092275 1026132388 /nfs/dbraw/zinc/13/23/88/1026132388.db2.gz IZORXQLTWSQXSJ-ZDUSSCGKSA-N 0 3 342.464 4.148 20 30 EIEDHN Cc1cc(Cl)ccc1CN1CCN(CCCC(C)(C)C#N)CC1 ZINC000511073690 1026146447 /nfs/dbraw/zinc/14/64/47/1026146447.db2.gz QKXCJQLYPGQMKA-UHFFFAOYSA-N 0 3 333.907 4.096 20 30 EIEDHN CCc1ccc(N2CCN(Cc3c(C)cc(C#N)cc3C)CC2)cc1 ZINC001167553952 1026308308 /nfs/dbraw/zinc/30/83/08/1026308308.db2.gz KAJBTZHVNNZACW-UHFFFAOYSA-N 0 3 333.479 4.060 20 30 EIEDHN C=CCOc1ccccc1CN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000119732386 1026409215 /nfs/dbraw/zinc/40/92/15/1026409215.db2.gz AHGHJSFWRHNBRN-QGZVFWFLSA-N 0 3 333.435 4.288 20 30 EIEDHN C[C@H](c1ccccc1Cl)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000506926045 1026527678 /nfs/dbraw/zinc/52/76/78/1026527678.db2.gz CHXKIFDSRYEKOY-MRXNPFEDSA-N 0 3 333.907 4.349 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C=CSc1ccccc1 ZINC000255503013 1026545501 /nfs/dbraw/zinc/54/55/01/1026545501.db2.gz HEGSCTBLJHNBCB-SSCKCOOKSA-N 0 3 333.416 4.056 20 30 EIEDHN CCc1nc2cc(CNCc3cccc(C#N)c3)ccc2n1C1CC1 ZINC000338446014 1026551338 /nfs/dbraw/zinc/55/13/38/1026551338.db2.gz QYXMHYQQCNGFIW-UHFFFAOYSA-N 0 3 330.435 4.095 20 30 EIEDHN C[C@@H](NC1(CCOCc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512284072 1026647521 /nfs/dbraw/zinc/64/75/21/1026647521.db2.gz WTMHYZSYAKIRLW-MRXNPFEDSA-N 0 3 338.426 4.487 20 30 EIEDHN C=CC[C@@H]1N(Cc2nnc(-c3ccc(C#N)cc3)o2)CCCC1(C)C ZINC000277721403 1026835736 /nfs/dbraw/zinc/83/57/36/1026835736.db2.gz JEKYOBAKBREKOY-KRWDZBQOSA-N 0 3 336.439 4.175 20 30 EIEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000127967717 1026854786 /nfs/dbraw/zinc/85/47/86/1026854786.db2.gz APBYPRFORCHTKQ-INIZCTEOSA-N 0 3 348.333 4.047 20 30 EIEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472245767 1026998556 /nfs/dbraw/zinc/99/85/56/1026998556.db2.gz ZYJTYMIJLFAQIX-HLIPFELVSA-N 0 3 349.478 4.391 20 30 EIEDHN C[C@@H](NCc1ccc(OCc2cccnc2)cc1)c1ccc(C#N)cc1 ZINC000075755597 1027066601 /nfs/dbraw/zinc/06/66/01/1027066601.db2.gz HFMFHJIZNYBLNW-QGZVFWFLSA-N 0 3 343.430 4.383 20 30 EIEDHN Cc1ccn2c(CN(Cc3ccc(C#N)cc3)CC(C)C)cnc2c1 ZINC000507733254 1027170678 /nfs/dbraw/zinc/17/06/78/1027170678.db2.gz QLPZISWCCFWGPJ-UHFFFAOYSA-N 0 3 332.451 4.173 20 30 EIEDHN C=CCC1(NCc2csc(-c3ccc(C)cc3)n2)CCOCC1 ZINC000657633264 1027347622 /nfs/dbraw/zinc/34/76/22/1027347622.db2.gz KYNIXHBTQPCWIY-UHFFFAOYSA-N 0 3 328.481 4.333 20 30 EIEDHN CN(C)Cc1ccc(NC(=O)CCCCCC#N)cc1C(F)(F)F ZINC000894986228 1027690568 /nfs/dbraw/zinc/69/05/68/1027690568.db2.gz UAALMPBMALJTLZ-UHFFFAOYSA-N 0 3 341.377 4.180 20 30 EIEDHN CC(=O)Nc1c[nH]nc1[C@H]1CCCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000329367559 1027752311 /nfs/dbraw/zinc/75/23/11/1027752311.db2.gz HMAONXMPAFVGMX-KSSFIOAISA-N 0 3 342.418 4.024 20 30 EIEDHN CC(C)(C#N)CCCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000444594416 1027881472 /nfs/dbraw/zinc/88/14/72/1027881472.db2.gz IGTAMCOJFBPZNR-UHFFFAOYSA-N 0 3 333.907 4.178 20 30 EIEDHN COc1cccc([C@H](C)N2CCN(CCCCC(C)(C)C#N)CC2)c1 ZINC000444602839 1027885658 /nfs/dbraw/zinc/88/56/58/1027885658.db2.gz NBLNGYUXJLCNKL-SFHVURJKSA-N 0 3 343.515 4.094 20 30 EIEDHN COc1c(CNC(=O)[C@H]2CCCN2C2CCCC2)oc2ccccc21 ZINC000330006275 1028180392 /nfs/dbraw/zinc/18/03/92/1028180392.db2.gz DWYZXNZEBFDHGU-MRXNPFEDSA-N 0 3 342.439 4.305 20 30 EIEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000330267452 1028241211 /nfs/dbraw/zinc/24/12/11/1028241211.db2.gz QNVSWXVSEXJORQ-TZTCFGBESA-N 0 3 343.254 4.127 20 30 EIEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000330271731 1028245810 /nfs/dbraw/zinc/24/58/10/1028245810.db2.gz WKPNMKLGQSIQEH-DYQSUWPFSA-N 0 3 343.254 4.127 20 30 EIEDHN COc1ccc([C@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000155145683 1028360404 /nfs/dbraw/zinc/36/04/04/1028360404.db2.gz AHDQXSYVDIRTKL-HRAATJIYSA-N 0 3 336.435 4.323 20 30 EIEDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@H](CC)c2ccc(C#N)cc2)c1 ZINC000278175669 1028403759 /nfs/dbraw/zinc/40/37/59/1028403759.db2.gz CWNGUECZYCCTJC-IIBYNOLFSA-N 0 3 349.478 4.327 20 30 EIEDHN Cc1ccc(C#N)c(NC[C@@H](c2cccs2)N2CCC(C)CC2)n1 ZINC000346858166 1028797450 /nfs/dbraw/zinc/79/74/50/1028797450.db2.gz ZIIWYHODWHZFOM-KRWDZBQOSA-N 0 3 340.496 4.208 20 30 EIEDHN C=CCN(Cc1ccccc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000508546219 1028984208 /nfs/dbraw/zinc/98/42/08/1028984208.db2.gz RPGSLOZRIWCBSS-UHFFFAOYSA-N 0 3 331.419 4.457 20 30 EIEDHN C=CCCN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000524811155 1029234210 /nfs/dbraw/zinc/23/42/10/1029234210.db2.gz BQDAGSOFJFVZET-IBGZPJMESA-N 0 3 329.465 4.289 20 30 EIEDHN N#CCCCOc1cccc(CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000446976060 1029656172 /nfs/dbraw/zinc/65/61/72/1029656172.db2.gz FJXMXIKMPKFLAF-HNNXBMFYSA-N 0 3 326.362 4.143 20 30 EIEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000329734180 1029704081 /nfs/dbraw/zinc/70/40/81/1029704081.db2.gz KCKNFNOCJJHQHU-HUUCEWRRSA-N 0 3 343.471 4.404 20 30 EIEDHN CN(C)[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)c1ccsc1 ZINC000475450808 1029779304 /nfs/dbraw/zinc/77/93/04/1029779304.db2.gz DGNTZZRXFUSRSS-HNNXBMFYSA-N 0 3 339.386 4.353 20 30 EIEDHN Cc1cc(CNCc2cc(C#N)n(C)c2)ccc1Oc1ccc(F)cc1 ZINC000480360914 1029866213 /nfs/dbraw/zinc/86/62/13/1029866213.db2.gz UUKRUUADXOACOJ-UHFFFAOYSA-N 0 3 349.409 4.426 20 30 EIEDHN CC[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000447540107 1030143651 /nfs/dbraw/zinc/14/36/51/1030143651.db2.gz ISVPJFGYLONBFB-OAQYLSRUSA-N 0 3 330.435 4.044 20 30 EIEDHN CCc1nc2c(s1)[C@H](N(C)Cc1ccc(CC#N)cc1)CCC2 ZINC000544067026 1030243939 /nfs/dbraw/zinc/24/39/39/1030243939.db2.gz MPRYHIBKPJCHIT-QGZVFWFLSA-N 0 3 325.481 4.281 20 30 EIEDHN N#CCCCOc1cccc(CN2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186447994 1030273707 /nfs/dbraw/zinc/27/37/07/1030273707.db2.gz AODHHFFSVHKSKL-JOCHJYFZSA-N 0 3 348.446 4.001 20 30 EIEDHN CC[C@@H](C)c1ccc([C@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000526135885 1030294226 /nfs/dbraw/zinc/29/42/26/1030294226.db2.gz OVJQSNGXYMFDTE-OXQOHEQNSA-N 0 3 341.499 4.049 20 30 EIEDHN CC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000024254235 1030508855 /nfs/dbraw/zinc/50/88/55/1030508855.db2.gz DNQYFPJFURYCCP-KRWDZBQOSA-N 0 3 347.890 4.066 20 30 EIEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cc2ccccc2s1 ZINC000527484776 1030700066 /nfs/dbraw/zinc/70/00/66/1030700066.db2.gz ZRRHMXOONNEWGF-HUUCEWRRSA-N 0 3 328.481 4.141 20 30 EIEDHN C=C(C)[C@@H](N[C@@H](COC)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000657983346 1030744854 /nfs/dbraw/zinc/74/48/54/1030744854.db2.gz SMHYQLJXIPACTA-VQIMIIECSA-N 0 3 339.426 4.003 20 30 EIEDHN COc1c(C)cc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1C ZINC000647378646 1030896385 /nfs/dbraw/zinc/89/63/85/1030896385.db2.gz NVWVHRRXWUJULC-AWEZNQCLSA-N 0 3 326.421 4.136 20 30 EIEDHN N#CC(C(=O)c1ccc(OCC2CC2)cc1)c1nc(C2CC2)cs1 ZINC000647377483 1030901260 /nfs/dbraw/zinc/90/12/60/1030901260.db2.gz NOLMBHSZGOGJPE-INIZCTEOSA-N 0 3 338.432 4.299 20 30 EIEDHN N#CC(C(=O)c1cc2c(s1)CCCCC2)c1nc2ccccc2[nH]1 ZINC000041496865 1031096044 /nfs/dbraw/zinc/09/60/44/1031096044.db2.gz SWRMSTODVBALTB-CYBMUJFWSA-N 0 3 335.432 4.383 20 30 EIEDHN C=C(C)COc1cc(CNCc2ccccc2N(C)C)ccc1OC ZINC000531490035 1031299165 /nfs/dbraw/zinc/29/91/65/1031299165.db2.gz UDMWRVFEUQGDKX-UHFFFAOYSA-N 0 3 340.467 4.006 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531616781 1031430366 /nfs/dbraw/zinc/43/03/66/1031430366.db2.gz UKRRAXCOJSRMJQ-DOTOQJQBSA-N 0 3 328.456 4.063 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531616784 1031431821 /nfs/dbraw/zinc/43/18/21/1031431821.db2.gz UKRRAXCOJSRMJQ-WBVHZDCISA-N 0 3 328.456 4.063 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531616782 1031433392 /nfs/dbraw/zinc/43/33/92/1031433392.db2.gz UKRRAXCOJSRMJQ-NVXWUHKLSA-N 0 3 328.456 4.063 20 30 EIEDHN CC1(C#N)CCC(NCc2cc(F)c(F)cc2Br)CC1 ZINC000449321403 1031636319 /nfs/dbraw/zinc/63/63/19/1031636319.db2.gz LYCBKQIEWUABRI-UHFFFAOYSA-N 0 3 343.215 4.289 20 30 EIEDHN CCOC(=O)c1cc(CN[C@H](CCCC#N)c2ccccc2)[nH]c1C ZINC000449340914 1031637484 /nfs/dbraw/zinc/63/74/84/1031637484.db2.gz RDAHJDUHJBWLLB-LJQANCHMSA-N 0 3 339.439 4.025 20 30 EIEDHN C=CC(C)(C)CN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000453303212 1031829363 /nfs/dbraw/zinc/82/93/63/1031829363.db2.gz BSPXCNXDKVJCQM-MRXNPFEDSA-N 0 3 346.272 4.130 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cc(C)c(Br)cc2C)n1 ZINC000130903182 1031852235 /nfs/dbraw/zinc/85/22/35/1031852235.db2.gz XVYBWYUGLAKOJB-GFCCVEGCSA-N 0 3 349.253 4.321 20 30 EIEDHN COCCC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000453362535 1031900124 /nfs/dbraw/zinc/90/01/24/1031900124.db2.gz BFUJDTKQCOPSRK-IBGZPJMESA-N 0 3 330.378 4.094 20 30 EIEDHN Cc1cc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)ccc1C#N ZINC000453624950 1032035278 /nfs/dbraw/zinc/03/52/78/1032035278.db2.gz YKVKYTLKTLFMIP-NRFANRHFSA-N 0 3 334.463 4.250 20 30 EIEDHN COc1ccc([C@H](OC)[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512610805 1033492543 /nfs/dbraw/zinc/49/25/43/1033492543.db2.gz FCFKHLOABJQYCA-LRDNONRASA-N 0 3 342.414 4.133 20 30 EIEDHN C[C@H](NCCc1nc(C(C)(C)C)cs1)c1ccc(C#N)cc1F ZINC000512620591 1033507203 /nfs/dbraw/zinc/50/72/03/1033507203.db2.gz RFSABJAKKVQEDI-LBPRGKRZSA-N 0 3 331.460 4.345 20 30 EIEDHN C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1F ZINC000512636900 1033582047 /nfs/dbraw/zinc/58/20/47/1033582047.db2.gz PNTXICSDGRSIFB-BBRMVZONSA-N 0 3 343.833 4.280 20 30 EIEDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614179721 1033609226 /nfs/dbraw/zinc/60/92/26/1033609226.db2.gz KVZIVOHVTKKPMS-OAHLLOKOSA-N 0 3 335.451 4.297 20 30 EIEDHN CN(CC1CCCCC1)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433032734 1033703595 /nfs/dbraw/zinc/70/35/95/1033703595.db2.gz MZHGIPXGEKFJNB-FQEVSTJZSA-N 0 3 341.499 4.050 20 30 EIEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419319699 1034251533 /nfs/dbraw/zinc/25/15/33/1034251533.db2.gz CYPRVXTWKBXKAB-DLBZAZTESA-N 0 3 338.455 4.255 20 30 EIEDHN Cc1cc(C#N)ccc1CN1CCC(OC2CCC(C)CC2)CC1 ZINC000614397971 1034537289 /nfs/dbraw/zinc/53/72/89/1034537289.db2.gz BHWDLFLXJRMLQB-UHFFFAOYSA-N 0 3 326.484 4.426 20 30 EIEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000614402528 1034550934 /nfs/dbraw/zinc/55/09/34/1034550934.db2.gz HURVORRZQRPXAE-JOCHJYFZSA-N 0 3 334.463 4.090 20 30 EIEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1cc2ccccc2o1 ZINC000182629336 1034965615 /nfs/dbraw/zinc/96/56/15/1034965615.db2.gz LPKSVOZWOYPLTL-AWEZNQCLSA-N 0 3 336.391 4.043 20 30 EIEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1ccc(C#N)cc1OC ZINC000501200184 1035396484 /nfs/dbraw/zinc/39/64/84/1035396484.db2.gz BVGDDPDVOFOIJD-FQEVSTJZSA-N 0 3 336.435 4.085 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)C2CCCCCC2)c1C ZINC000501405890 1035440746 /nfs/dbraw/zinc/44/07/46/1035440746.db2.gz LOHYJHZWZRPGJJ-UHFFFAOYSA-N 0 3 341.499 4.205 20 30 EIEDHN N#Cc1cccc(CN[C@H]2CCc3c2cc(Br)cc3F)c1 ZINC000151372494 1035741061 /nfs/dbraw/zinc/74/10/61/1035741061.db2.gz FYDSWNXDEHKXAD-KRWDZBQOSA-N 0 3 345.215 4.237 20 30 EIEDHN N#Cc1ccc(-c2nnc(CN3CCCC[C@H]3CC3CCC3)o2)cc1 ZINC000595870721 1035804320 /nfs/dbraw/zinc/80/43/20/1035804320.db2.gz JXMWASUYHUMVAS-SFHVURJKSA-N 0 3 336.439 4.153 20 30 EIEDHN N#Cc1cc(CN2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000586774193 1035834744 /nfs/dbraw/zinc/83/47/44/1035834744.db2.gz FPNAUULTKKXGKM-MRXNPFEDSA-N 0 3 345.368 4.352 20 30 EIEDHN N#CC1(c2ccc(CN3CC(Cc4ccc(F)c(F)c4)C3)cc2)CC1 ZINC000597145878 1036124252 /nfs/dbraw/zinc/12/42/52/1036124252.db2.gz JRUNYCMTPQTELE-UHFFFAOYSA-N 0 3 338.401 4.194 20 30 EIEDHN FC(F)O[C@@H]1CCCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000502577997 1036375515 /nfs/dbraw/zinc/37/55/15/1036375515.db2.gz GRYUSKCPSUYETP-HUUCEWRRSA-N 0 3 347.327 4.197 20 30 EIEDHN N#Cc1ccc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1 ZINC000060754831 1036413185 /nfs/dbraw/zinc/41/31/85/1036413185.db2.gz GFARWZIFESPSRB-UHFFFAOYSA-N 0 3 331.394 4.468 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602895448 1036666361 /nfs/dbraw/zinc/66/63/61/1036666361.db2.gz NUWFZZRFPCRWIZ-MRXNPFEDSA-N 0 3 330.435 4.067 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602895540 1036666866 /nfs/dbraw/zinc/66/68/66/1036666866.db2.gz QBABDEKKERBAHI-MRXNPFEDSA-N 0 3 330.435 4.067 20 30 EIEDHN COc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1OC ZINC000589167740 1036683091 /nfs/dbraw/zinc/68/30/91/1036683091.db2.gz VSWYPINRWJSMIS-UHFFFAOYSA-N 0 3 348.446 4.173 20 30 EIEDHN Cc1cc(Br)ccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000589342392 1036743349 /nfs/dbraw/zinc/74/33/49/1036743349.db2.gz PJFOELSUHVLCNZ-SFHVURJKSA-N 0 3 341.252 4.406 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000598715848 1036757361 /nfs/dbraw/zinc/75/73/61/1036757361.db2.gz UGGGPYPGGGETIT-OALUTQOASA-N 0 3 342.870 4.320 20 30 EIEDHN Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)cc1C#N ZINC000599452399 1037013726 /nfs/dbraw/zinc/01/37/26/1037013726.db2.gz PBZBLPXQMUSYPP-OAQYLSRUSA-N 0 3 332.447 4.026 20 30 EIEDHN CCc1cccc2c1OCC[C@H]2N[C@H](C)c1ccc(OCC#N)cc1 ZINC000271912425 1037051896 /nfs/dbraw/zinc/05/18/96/1037051896.db2.gz YFGKWTYKHXHDFO-FOIQADDNSA-N 0 3 336.435 4.326 20 30 EIEDHN COc1cccc(C[C@H]2CCCN2Cc2cn3ccccc3c2C#N)c1 ZINC000603868470 1037063904 /nfs/dbraw/zinc/06/39/04/1037063904.db2.gz OQZFFJXKTFOROE-LJQANCHMSA-N 0 3 345.446 4.027 20 30 EIEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc(-c2ccccc2)nn1C ZINC000590778500 1037163331 /nfs/dbraw/zinc/16/33/31/1037163331.db2.gz QSCBAJILSPRQAO-MGPUTAFESA-N 0 3 342.446 4.297 20 30 EIEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc(-c2ccccc2)nn1C ZINC000590778502 1037163543 /nfs/dbraw/zinc/16/35/43/1037163543.db2.gz QSCBAJILSPRQAO-QRWLVFNGSA-N 0 3 342.446 4.297 20 30 EIEDHN COc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccc1Cl ZINC000590780130 1037164095 /nfs/dbraw/zinc/16/40/95/1037164095.db2.gz LDZNIXMVRWKCJL-SFHVURJKSA-N 0 3 326.827 4.387 20 30 EIEDHN C=CCC[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000487591066 1037169631 /nfs/dbraw/zinc/16/96/31/1037169631.db2.gz AKSYEMULNZLVTD-FCHUYYIVSA-N 0 3 348.490 4.127 20 30 EIEDHN CC1(C#N)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000272585870 1037237357 /nfs/dbraw/zinc/23/73/57/1037237357.db2.gz ZDNAOKOLIDVYLC-UHFFFAOYSA-N 0 3 341.436 4.449 20 30 EIEDHN COc1cc2c(cc1OC)[C@H](N[C@@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000591348928 1037390838 /nfs/dbraw/zinc/39/08/38/1037390838.db2.gz DUHIZIRUOKUAGV-WOJBJXKFSA-N 0 3 348.446 4.230 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000171737924 1037638281 /nfs/dbraw/zinc/63/82/81/1037638281.db2.gz RVQSXNNISLMJJB-UHFFFAOYSA-N 0 3 335.451 4.126 20 30 EIEDHN CC(C)[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000488571543 1037669269 /nfs/dbraw/zinc/66/92/69/1037669269.db2.gz GDCRHFIQUQVENF-HOTGVXAUSA-N 0 3 327.415 4.177 20 30 EIEDHN N#Cc1cnccc1CN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000592122385 1037734940 /nfs/dbraw/zinc/73/49/40/1037734940.db2.gz LGSBXBCTVGVNCT-QZTJIDSGSA-N 0 3 345.368 4.398 20 30 EIEDHN CC(C)(C)C[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000488761854 1037746062 /nfs/dbraw/zinc/74/60/62/1037746062.db2.gz JCTSESNJJQUXFY-HNNXBMFYSA-N 0 3 333.863 4.051 20 30 EIEDHN CC(C)(C)C[C@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000488761855 1037746903 /nfs/dbraw/zinc/74/69/03/1037746903.db2.gz JCTSESNJJQUXFY-OAHLLOKOSA-N 0 3 333.863 4.051 20 30 EIEDHN Cc1cc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)ccc1C#N ZINC000592176798 1037770531 /nfs/dbraw/zinc/77/05/31/1037770531.db2.gz DWSTVUYURAVHFQ-OAQYLSRUSA-N 0 3 332.447 4.026 20 30 EIEDHN C=CCN1CCC(NC(=O)N(CCCC)[C@H](C)c2ccc(C)o2)CC1 ZINC000592526148 1037824898 /nfs/dbraw/zinc/82/48/98/1037824898.db2.gz VLBBSJKYCNSVDX-QGZVFWFLSA-N 0 3 347.503 4.111 20 30 EIEDHN C#CCCOc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000172116967 1037859072 /nfs/dbraw/zinc/85/90/72/1037859072.db2.gz RPJYASUYQOVEHU-VXKWHMMOSA-N 0 3 335.447 4.099 20 30 EIEDHN Cc1ccsc1CCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000129416476 1037963924 /nfs/dbraw/zinc/96/39/24/1037963924.db2.gz XSBLQWMTDSOCJD-INIZCTEOSA-N 0 3 340.448 4.035 20 30 EIEDHN N#CC1(CNC2CC(c3cccc(Br)c3)C2)CCCC1 ZINC000593655120 1038117532 /nfs/dbraw/zinc/11/75/32/1038117532.db2.gz XBXXSRKTXPDQAK-UHFFFAOYSA-N 0 3 333.273 4.369 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@@H]3CC3CCCC3)o2)c1 ZINC000594052953 1038296236 /nfs/dbraw/zinc/29/62/36/1038296236.db2.gz KBLFFNSJNUFYEY-GOSISDBHSA-N 0 3 336.439 4.153 20 30 EIEDHN CC(C)CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594429537 1038330110 /nfs/dbraw/zinc/33/01/10/1038330110.db2.gz UARUUEWMOLYERC-QZTJIDSGSA-N 0 3 349.906 4.345 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000594439856 1038332546 /nfs/dbraw/zinc/33/25/46/1038332546.db2.gz RPILQKXHABVCPG-OAQYLSRUSA-N 0 3 349.478 4.212 20 30 EIEDHN CC[C@@H](C)Sc1ccc(NC(=O)[C@H](N)CCCCC#N)c(C)c1 ZINC000594431958 1038333656 /nfs/dbraw/zinc/33/36/56/1038333656.db2.gz TWHVLLYSBILUNY-GDBMZVCRSA-N 0 3 333.501 4.235 20 30 EIEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)c2ccccc21 ZINC000594442056 1038335607 /nfs/dbraw/zinc/33/56/07/1038335607.db2.gz BMIMDWGCWVMIGB-SCLBCKFNSA-N 0 3 343.858 4.082 20 30 EIEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)c2ccccc21 ZINC000594442057 1038336388 /nfs/dbraw/zinc/33/63/88/1038336388.db2.gz BMIMDWGCWVMIGB-UGSOOPFHSA-N 0 3 343.858 4.082 20 30 EIEDHN CC[C@H](C)c1ccc([C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)C)cc1 ZINC000594425238 1038340851 /nfs/dbraw/zinc/34/08/51/1038340851.db2.gz GPPDVAUYEFAFEX-DBVUQKKJSA-N 0 3 343.515 4.425 20 30 EIEDHN CC[C@H](C)c1ccc([C@H](NC(=O)[C@H](N)CCCCC#N)C(C)C)cc1 ZINC000594425241 1038341697 /nfs/dbraw/zinc/34/16/97/1038341697.db2.gz GPPDVAUYEFAFEX-PWIZWCRZSA-N 0 3 343.515 4.425 20 30 EIEDHN CC(C)(C#N)c1ccc(CNCc2ccccc2Cn2cccn2)cc1 ZINC000594493243 1038344006 /nfs/dbraw/zinc/34/40/06/1038344006.db2.gz IIIVLYDOAFZDOF-UHFFFAOYSA-N 0 3 344.462 4.022 20 30 EIEDHN COC(=O)c1ccc2c(c1)[C@@H](NC1(c3cccc(C#N)c3)CC1)CCC2 ZINC000594497550 1038344650 /nfs/dbraw/zinc/34/46/50/1038344650.db2.gz GTEDQGKDDOKVGA-FQEVSTJZSA-N 0 3 346.430 4.001 20 30 EIEDHN COc1ccc([C@@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1OC ZINC000594515585 1038357531 /nfs/dbraw/zinc/35/75/31/1038357531.db2.gz NXQQWAYBGLXOSG-OAHLLOKOSA-N 0 3 336.435 4.305 20 30 EIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCCCO2 ZINC000594514595 1038358160 /nfs/dbraw/zinc/35/81/60/1038358160.db2.gz IZMOOSFFRBJZQI-MRXNPFEDSA-N 0 3 348.446 4.450 20 30 EIEDHN Cc1cc(CNCc2ccc(C(C)(C)C#N)cc2)cc(N2CCCC2)n1 ZINC000594518600 1038360006 /nfs/dbraw/zinc/36/00/06/1038360006.db2.gz JYMITPBBILKSEA-UHFFFAOYSA-N 0 3 348.494 4.081 20 30 EIEDHN COc1ccc2c(c1F)CC[C@H]2NC1(c2ccc(C#N)cc2)CCC1 ZINC000594519233 1038360484 /nfs/dbraw/zinc/36/04/84/1038360484.db2.gz VUCATZUFISEJCF-GOSISDBHSA-N 0 3 336.410 4.362 20 30 EIEDHN CC(C)C(=O)Nc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594915216 1038426006 /nfs/dbraw/zinc/42/60/06/1038426006.db2.gz QLDWOIRIPMHKMB-UHFFFAOYSA-N 0 3 347.462 4.126 20 30 EIEDHN CCCC(=O)Nc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594925161 1038430415 /nfs/dbraw/zinc/43/04/15/1038430415.db2.gz LOMXVBKIJJJSJB-UHFFFAOYSA-N 0 3 347.462 4.270 20 30 EIEDHN Cn1cc(-c2ccc(CNC(C)(C)c3cccc(C#N)c3)s2)cn1 ZINC000594968613 1038554088 /nfs/dbraw/zinc/55/40/88/1038554088.db2.gz KJLCJFQOOIUDMG-UHFFFAOYSA-N 0 3 336.464 4.045 20 30 EIEDHN CCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1OCC ZINC000594966862 1038558737 /nfs/dbraw/zinc/55/87/37/1038558737.db2.gz BPSZGKBOPOMTEO-UHFFFAOYSA-N 0 3 338.451 4.381 20 30 EIEDHN CN(C(=O)[C@@H](N)CCCC#N)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000424163633 1038694631 /nfs/dbraw/zinc/69/46/31/1038694631.db2.gz AKYTZGBETSPSEO-ROUUACIJSA-N 0 3 347.890 4.051 20 30 EIEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000424320008 1038803507 /nfs/dbraw/zinc/80/35/07/1038803507.db2.gz FKVHBTORLBOMCN-MISXGVKJSA-N 0 3 325.239 4.489 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC(F)(F)F)cc1 ZINC000173985231 1038811382 /nfs/dbraw/zinc/81/13/82/1038811382.db2.gz KFQRPVHVSUQHKG-FZMZJTMJSA-N 0 3 340.345 4.190 20 30 EIEDHN COc1ccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)cc1C#N ZINC000174243673 1038882854 /nfs/dbraw/zinc/88/28/54/1038882854.db2.gz VSNWAKGQGKLCCS-IBGZPJMESA-N 0 3 326.827 4.461 20 30 EIEDHN COc1ccc2cc(CNCc3ccc(OC)c(C#N)c3)ccc2c1 ZINC000174252710 1038890917 /nfs/dbraw/zinc/89/09/17/1038890917.db2.gz JWXGLJJRXLPBGR-UHFFFAOYSA-N 0 3 332.403 4.018 20 30 EIEDHN C[C@H](NCC#Cc1ccccc1Cl)c1cccc(-n2cccn2)c1 ZINC000539287411 1038933240 /nfs/dbraw/zinc/93/32/40/1038933240.db2.gz XFFVFDACKMMANI-INIZCTEOSA-N 0 3 335.838 4.228 20 30 EIEDHN C=CCC[C@H](N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccco1 ZINC000552049175 1039073548 /nfs/dbraw/zinc/07/35/48/1039073548.db2.gz NYUHIGCWZSWVAK-YOEHRIQHSA-N 0 3 332.394 4.434 20 30 EIEDHN N#CC1CCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000555336430 1039095169 /nfs/dbraw/zinc/09/51/69/1039095169.db2.gz YFLRJFFKEWTCKL-UHFFFAOYSA-N 0 3 326.390 4.332 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000552324077 1039380800 /nfs/dbraw/zinc/38/08/00/1039380800.db2.gz ZTVFETFNAXQXPL-HNNXBMFYSA-N 0 3 326.396 4.319 20 30 EIEDHN COc1ccccc1[C@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093008186 1039618438 /nfs/dbraw/zinc/61/84/38/1039618438.db2.gz ZREOODVFPUUCNB-OXJNMPFZSA-N 0 3 336.435 4.323 20 30 EIEDHN Cc1c(CN[C@@H]2CCCCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000481996428 1039940360 /nfs/dbraw/zinc/94/03/60/1039940360.db2.gz AFDSZCRUBSPNQV-LJQANCHMSA-N 0 3 335.407 4.332 20 30 EIEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000924776675 1040154089 /nfs/dbraw/zinc/15/40/89/1040154089.db2.gz OCMACRBOGPIBGF-CQSZACIVSA-N 0 3 327.403 4.431 20 30 EIEDHN C=C[C@H](CC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000535340152 1040206930 /nfs/dbraw/zinc/20/69/30/1040206930.db2.gz JYDCQJSFRSOVJB-WIYYLYMNSA-N 0 3 336.479 4.074 20 30 EIEDHN N#Cc1cccc(C2(NCc3cccc(-c4ccccn4)c3)CC2)c1 ZINC000551581313 1040437063 /nfs/dbraw/zinc/43/70/63/1040437063.db2.gz IBVRCSPQVCAUKM-UHFFFAOYSA-N 0 3 325.415 4.399 20 30 EIEDHN COc1ccc2ccccc2c1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000515190592 1040529935 /nfs/dbraw/zinc/52/99/35/1040529935.db2.gz JESCZMVHBBUQFT-OAQYLSRUSA-N 0 3 328.415 4.497 20 30 EIEDHN N#CC(C(=O)c1ccc(SC2CC2)cc1)c1cnc2ccccc2n1 ZINC000483216358 1040772067 /nfs/dbraw/zinc/77/20/67/1040772067.db2.gz URIXPZJJAMHNPZ-MRXNPFEDSA-N 0 3 345.427 4.374 20 30 EIEDHN N#CC(C(=O)c1ccc2sccc2c1)c1cnc2ccccc2n1 ZINC000483215453 1040772284 /nfs/dbraw/zinc/77/22/84/1040772284.db2.gz QKQGVWHURWWORC-CQSZACIVSA-N 0 3 329.384 4.335 20 30 EIEDHN N#CC(C(=O)c1cc(Cl)cc2c1OCC2)c1nccc2ccccc21 ZINC000483220795 1040776622 /nfs/dbraw/zinc/77/66/22/1040776622.db2.gz PMTSIUQRYJKRCM-KRWDZBQOSA-N 0 3 348.789 4.313 20 30 EIEDHN C=CCOc1ccc(CN(Cc2ccc(O)c(OC)c2)C2CC2)cc1 ZINC000483351840 1040826279 /nfs/dbraw/zinc/82/62/79/1040826279.db2.gz GPTKSZSKECFCQP-UHFFFAOYSA-N 0 3 339.435 4.130 20 30 EIEDHN C=CCN(CCOC)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000483416916 1040847523 /nfs/dbraw/zinc/84/75/23/1040847523.db2.gz GYNKBUKNTTUWFU-UHFFFAOYSA-N 0 3 341.451 4.005 20 30 EIEDHN C=CC[C@@H]1N(C(=O)Nc2cccc(CN(C)C)c2)CCCC1(C)C ZINC000436105193 1040875756 /nfs/dbraw/zinc/87/57/56/1040875756.db2.gz WXKBCOCXSKOQDW-SFHVURJKSA-N 0 3 329.488 4.347 20 30 EIEDHN Fc1cc(C(F)(F)F)c(F)cc1CN[C@@H]1CCC[C@H]1OC(F)F ZINC000554253876 1040907472 /nfs/dbraw/zinc/90/74/72/1040907472.db2.gz NGKWGBVXRXBJTB-VXGBXAGGSA-N 0 3 345.258 4.234 20 30 EIEDHN COc1cc([C@@H](C)NCc2ccc(C)c(C#N)c2)ccc1SC ZINC000926966985 1041059360 /nfs/dbraw/zinc/05/93/60/1041059360.db2.gz PLWWJCGWGZZFKC-CQSZACIVSA-N 0 3 326.465 4.448 20 30 EIEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)c1ccccc1-n1cccn1 ZINC000538158532 1041103515 /nfs/dbraw/zinc/10/35/15/1041103515.db2.gz DXJIEWWOJQVETD-INIZCTEOSA-N 0 3 335.838 4.228 20 30 EIEDHN Clc1cccc(C#CCN[C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000538187496 1041149265 /nfs/dbraw/zinc/14/92/65/1041149265.db2.gz HJGAJGOXSKTFAP-AZUAARDMSA-N 0 3 325.839 4.059 20 30 EIEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)COC2 ZINC000540185995 1041248965 /nfs/dbraw/zinc/24/89/65/1041248965.db2.gz IBOZXPFBENWEJZ-AWEZNQCLSA-N 0 3 345.364 4.438 20 30 EIEDHN CCCN(Cc1ccc(Cl)cc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000480525448 1041357836 /nfs/dbraw/zinc/35/78/36/1041357836.db2.gz IQQXPCPICCLNFP-KZNAEPCWSA-N 0 3 332.875 4.237 20 30 EIEDHN Cc1cccc([C@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1C ZINC000540389132 1041422262 /nfs/dbraw/zinc/42/22/62/1041422262.db2.gz AKOLCCWKYRRHBF-RBUKOAKNSA-N 0 3 349.478 4.289 20 30 EIEDHN CCC(CC)[C@H](NCC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000540378854 1041428360 /nfs/dbraw/zinc/42/83/60/1041428360.db2.gz LFRZYZNDNFCVIN-IBGZPJMESA-N 0 3 341.480 4.325 20 30 EIEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000924667858 1041431772 /nfs/dbraw/zinc/43/17/72/1041431772.db2.gz POSUFQUVIJITGZ-INIZCTEOSA-N 0 3 335.451 4.357 20 30 EIEDHN Clc1ccccc1C#CCN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540397173 1041440793 /nfs/dbraw/zinc/44/07/93/1041440793.db2.gz FRRMXNCSVLXNCD-UYAOXDASSA-N 0 3 325.839 4.059 20 30 EIEDHN C=C(C)[C@@H](N[C@@H](C)Cc1cccc(OC)n1)c1ccc(F)c(F)c1 ZINC000480679687 1041475713 /nfs/dbraw/zinc/47/57/13/1041475713.db2.gz JJOSHNBREOWMJA-ORAYPTAESA-N 0 3 332.394 4.206 20 30 EIEDHN CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC(C)(C)C ZINC000463367537 1041535091 /nfs/dbraw/zinc/53/50/91/1041535091.db2.gz MNOJROMWANCZQR-OAHLLOKOSA-N 0 3 347.528 4.387 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000538794854 1041538085 /nfs/dbraw/zinc/53/80/85/1041538085.db2.gz WRAVZKRPYYTXFW-SJORKVTESA-N 0 3 335.875 4.153 20 30 EIEDHN CN(C)[C@@H](CNc1ccc(C(F)(F)F)c(C#N)c1)c1ccsc1 ZINC000463427506 1041563635 /nfs/dbraw/zinc/56/36/35/1041563635.db2.gz CCEFEKAHABBDGN-HNNXBMFYSA-N 0 3 339.386 4.353 20 30 EIEDHN N#CCCC1CCN(Cc2ccccc2OCc2ccncc2)CC1 ZINC000516771547 1041748476 /nfs/dbraw/zinc/74/84/76/1041748476.db2.gz NGHBQYOZMLHXLN-UHFFFAOYSA-N 0 3 335.451 4.176 20 30 EIEDHN CCOc1cc(C)ccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540973307 1041759009 /nfs/dbraw/zinc/75/90/09/1041759009.db2.gz TWFYLXJJSUNJQK-UHFFFAOYSA-N 0 3 349.478 4.342 20 30 EIEDHN COc1cccc([C@H]2C[C@@H](C)CN2Cc2ccc(OC)c(C#N)c2)c1 ZINC000541322950 1041893155 /nfs/dbraw/zinc/89/31/55/1041893155.db2.gz XWHHRNJAXGNXJD-FOIQADDNSA-N 0 3 336.435 4.159 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(CSCC)c2)CC1 ZINC000438381320 1042157383 /nfs/dbraw/zinc/15/73/83/1042157383.db2.gz LXPFCSBQHMPDDX-UHFFFAOYSA-N 0 3 347.528 4.102 20 30 EIEDHN CN(CC(=O)Nc1cc(Cl)ccc1C#N)C1CCC(C)(C)CC1 ZINC000438478016 1042200292 /nfs/dbraw/zinc/20/02/92/1042200292.db2.gz LBDQODAUTHXERT-UHFFFAOYSA-N 0 3 333.863 4.051 20 30 EIEDHN CC(C)(CCc1ccccc1)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000464899076 1042218026 /nfs/dbraw/zinc/21/80/26/1042218026.db2.gz SEVACVGGCOWZLA-UHFFFAOYSA-N 0 3 346.434 4.109 20 30 EIEDHN Cc1cc(C)n(-c2ccc(CNC3(c4cccc(C#N)c4)CC3)cc2)n1 ZINC000271740517 1042271679 /nfs/dbraw/zinc/27/16/79/1042271679.db2.gz CBSNTNRVPGWHQE-UHFFFAOYSA-N 0 3 342.446 4.140 20 30 EIEDHN C=CCN1CCC(NC(=O)CCCc2ccc(C(C)(C)C)cc2)CC1 ZINC000517988143 1042301522 /nfs/dbraw/zinc/30/15/22/1042301522.db2.gz JFCQQKHIAISKIN-UHFFFAOYSA-N 0 3 342.527 4.073 20 30 EIEDHN C#C[C@H](NC1CCN(C(=O)CC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000491745663 1042497346 /nfs/dbraw/zinc/49/73/46/1042497346.db2.gz XXNMGQZBQWVFOT-SFHVURJKSA-N 0 3 346.902 4.031 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC(C)C)c2cccs2)CC1 ZINC000518510420 1042554831 /nfs/dbraw/zinc/55/48/31/1042554831.db2.gz NNSLPHPBANWIFR-QGZVFWFLSA-N 0 3 349.544 4.175 20 30 EIEDHN COc1ccccc1CN(CCCC(C)(C)C#N)C[C@H]1CCCO1 ZINC000174863368 1042717526 /nfs/dbraw/zinc/71/75/26/1042717526.db2.gz UOSXIORNUCAISY-GOSISDBHSA-N 0 3 330.472 4.006 20 30 EIEDHN C#CC[C@H]1CCCN(Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000895100952 1042988609 /nfs/dbraw/zinc/98/86/09/1042988609.db2.gz GEVSUVUFTCEKBE-AWEZNQCLSA-N 0 3 334.485 4.330 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3oc(C)c(C)c3c2)CC1 ZINC000186455856 1043133949 /nfs/dbraw/zinc/13/39/49/1043133949.db2.gz ODYIBIGSTIWBMS-UHFFFAOYSA-N 0 3 341.455 4.212 20 30 EIEDHN C=CC[C@@H]1CCN(Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000625703309 1043360219 /nfs/dbraw/zinc/36/02/19/1043360219.db2.gz MSZDUGQSQDWWFG-CQSZACIVSA-N 0 3 344.480 4.225 20 30 EIEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000494445863 1043486866 /nfs/dbraw/zinc/48/68/66/1043486866.db2.gz SLXAPYXLICLCBC-QKCSRTOESA-N 0 3 337.286 4.268 20 30 EIEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000494445864 1043487377 /nfs/dbraw/zinc/48/73/77/1043487377.db2.gz SLXAPYXLICLCBC-SCDSUCTJSA-N 0 3 337.286 4.268 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(OC)c(Cl)c2)cc1OC ZINC000132260282 1043608060 /nfs/dbraw/zinc/60/80/60/1043608060.db2.gz VLMZBMJVRZYZSF-UHFFFAOYSA-N 0 3 347.842 4.212 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCCc3c(Br)cccc32)cc1 ZINC000783502640 1043648925 /nfs/dbraw/zinc/64/89/25/1043648925.db2.gz OFIDPNZLYDSFDN-GOSISDBHSA-N 0 3 341.252 4.488 20 30 EIEDHN C#CCOc1ccccc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000731041498 1043681839 /nfs/dbraw/zinc/68/18/39/1043681839.db2.gz CKKHKWBENDYUKK-UHFFFAOYSA-N 0 3 348.490 4.225 20 30 EIEDHN COc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)ccc1SC ZINC000171949351 1043700188 /nfs/dbraw/zinc/70/01/88/1043700188.db2.gz GSBGLEBICGWXOA-UHFFFAOYSA-N 0 3 338.476 4.453 20 30 EIEDHN CCOc1ccc(Oc2cc(CN[C@@H]3CC[C@@H](C#N)C3)ccn2)cc1 ZINC000442716486 1043822164 /nfs/dbraw/zinc/82/21/64/1043822164.db2.gz OCOMVUKRHYTVAA-NVXWUHKLSA-N 0 3 337.423 4.054 20 30 EIEDHN CCOc1ccc(Oc2cc(CN[C@H]3CC[C@H](C#N)C3)ccn2)cc1 ZINC000442716487 1043822616 /nfs/dbraw/zinc/82/26/16/1043822616.db2.gz OCOMVUKRHYTVAA-RDJZCZTQSA-N 0 3 337.423 4.054 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2OC(C)(C)C)CC1 ZINC000115777792 1044005827 /nfs/dbraw/zinc/00/58/27/1044005827.db2.gz FXHDIVKIVRURCO-UHFFFAOYSA-N 0 3 345.487 4.026 20 30 EIEDHN CCCOc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1OC ZINC000543183510 1044062347 /nfs/dbraw/zinc/06/23/47/1044062347.db2.gz RVWRRUCMZZNVKP-MRXNPFEDSA-N 0 3 338.451 4.401 20 30 EIEDHN CCOc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1OCC ZINC000543184571 1044071007 /nfs/dbraw/zinc/07/10/07/1044071007.db2.gz DHRHIKXFQGIHCF-INIZCTEOSA-N 0 3 338.451 4.401 20 30 EIEDHN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)c3cccc(C#N)c3)ccc2NC1=O ZINC000245820824 1044195583 /nfs/dbraw/zinc/19/55/83/1044195583.db2.gz AARGFYVUTJARIZ-TYILLQQXSA-N 0 3 349.434 4.080 20 30 EIEDHN C[C@@H](C/N=C/c1c(O)ccc2ccccc21)N1CCc2ccccc2C1 ZINC000914558316 1044481898 /nfs/dbraw/zinc/48/18/98/1044481898.db2.gz SSLYWGFGDWWMQD-SYXCRGJESA-N 0 3 344.458 4.411 20 30 EIEDHN C=C(CN[C@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccccc1 ZINC000675782484 1044496604 /nfs/dbraw/zinc/49/66/04/1044496604.db2.gz UNQUICSZYRLKRL-OAHLLOKOSA-N 0 3 338.842 4.285 20 30 EIEDHN CC[C@H](C/N=C/c1cc(Cl)ccc1[O-])[N@@H+]1CCc2ccccc2C1 ZINC000914701391 1044675412 /nfs/dbraw/zinc/67/54/12/1044675412.db2.gz HKEDIRXLMFAQAK-VVJWVBNBSA-N 0 3 342.870 4.301 20 30 EIEDHN CC[C@H](C/N=C/c1cc(Cl)ccc1[O-])[N@H+]1CCc2ccccc2C1 ZINC000914701391 1044675422 /nfs/dbraw/zinc/67/54/22/1044675422.db2.gz HKEDIRXLMFAQAK-VVJWVBNBSA-N 0 3 342.870 4.301 20 30 EIEDHN C=CCN(CCc1ccco1)Cc1ccccc1OCc1cccnc1 ZINC000495185259 1044763192 /nfs/dbraw/zinc/76/31/92/1044763192.db2.gz UHZICIHKDVRTAI-UHFFFAOYSA-N 0 3 348.446 4.484 20 30 EIEDHN C=CCCC[C@H](NCc1ccc2c(c1)NC(=O)CO2)c1ccccc1 ZINC000895639102 1044835138 /nfs/dbraw/zinc/83/51/38/1044835138.db2.gz YKYIIESPJXACFM-SFHVURJKSA-N 0 3 336.435 4.205 20 30 EIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cnc2c(cnn2C(C)C)c1 ZINC000154886670 1044845073 /nfs/dbraw/zinc/84/50/73/1044845073.db2.gz IFQWWPPFKAJRFB-UHFFFAOYSA-N 0 3 347.466 4.296 20 30 EIEDHN C=CCOCCN[C@@H](COc1c(C)cccc1C)c1ccccc1 ZINC001168485578 1044880474 /nfs/dbraw/zinc/88/04/74/1044880474.db2.gz GXYDQIMZIUPWPR-FQEVSTJZSA-N 0 3 325.452 4.216 20 30 EIEDHN C=CCN(Cc1cc(Br)c(OCC)c(OC)c1)C1CC1 ZINC000543620989 1044960854 /nfs/dbraw/zinc/96/08/54/1044960854.db2.gz ABDPUJUDCISXBT-UHFFFAOYSA-N 0 3 340.261 4.007 20 30 EIEDHN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1CCCC(C)(C)C#N ZINC000429007569 1045001616 /nfs/dbraw/zinc/00/16/16/1045001616.db2.gz VSSYPAUXMJULSB-AWEZNQCLSA-N 0 3 337.870 4.320 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1cc(Cl)cs1 ZINC000737319498 1045001921 /nfs/dbraw/zinc/00/19/21/1045001921.db2.gz XRBLXFFCKUORGZ-ZDUSSCGKSA-N 0 3 343.839 4.097 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC/C=C/c1ccccc1 ZINC000739141828 1045120659 /nfs/dbraw/zinc/12/06/59/1045120659.db2.gz DWCXTHQXSFQVPE-RIWGIVCCSA-N 0 3 329.403 4.243 20 30 EIEDHN C[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)c1cccs1 ZINC000739180578 1045122242 /nfs/dbraw/zinc/12/22/42/1045122242.db2.gz KIZQIGIPIPFNLN-KOLCDFICSA-N 0 3 330.409 4.477 20 30 EIEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000739144835 1045124352 /nfs/dbraw/zinc/12/43/52/1045124352.db2.gz XZZUAHPKYWJLRT-LPHOPBHVSA-N 0 3 342.483 4.319 20 30 EIEDHN C=CCCCCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000739930390 1045175535 /nfs/dbraw/zinc/17/55/35/1045175535.db2.gz LHPYYUJSWVMNIW-OAHLLOKOSA-N 0 3 341.480 4.151 20 30 EIEDHN CC[C@H]1CCCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000739926335 1045176312 /nfs/dbraw/zinc/17/63/12/1045176312.db2.gz DEWOJOIDEKACDY-LSDHHAIUSA-N 0 3 341.480 4.127 20 30 EIEDHN C=CC[C@@H](N[C@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccncc1 ZINC000766018424 1045192406 /nfs/dbraw/zinc/19/24/06/1045192406.db2.gz HSYSGPNIWLHHCU-RHSMWYFYSA-N 0 3 342.439 4.075 20 30 EIEDHN C=CC[C@H](N[C@H](C)c1ccc(OC)c(COC)c1)c1ccncc1 ZINC000766018366 1045193177 /nfs/dbraw/zinc/19/31/77/1045193177.db2.gz GZINRGRTPDITEL-BEFAXECRSA-N 0 3 326.440 4.205 20 30 EIEDHN C=CC[C@H](N[C@H](CC)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000766020991 1045232719 /nfs/dbraw/zinc/23/27/19/1045232719.db2.gz RZEQHGOLZDPLII-MSOLQXFVSA-N 0 3 326.440 4.457 20 30 EIEDHN C=CC[C@H](N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccncc1 ZINC000766021932 1045236370 /nfs/dbraw/zinc/23/63/70/1045236370.db2.gz VOZHIKIRIGCQFT-KDOFPFPSSA-N 0 3 335.451 4.279 20 30 EIEDHN CCCC(=O)Nc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611390440 1045292062 /nfs/dbraw/zinc/29/20/62/1045292062.db2.gz APWVNHLZHKSRGV-NRFANRHFSA-N 0 3 347.462 4.464 20 30 EIEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393052 1045298891 /nfs/dbraw/zinc/29/88/91/1045298891.db2.gz FEMJPJVFFBQZHC-PMACEKPBSA-N 0 3 334.419 4.058 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(OCC(F)F)c1 ZINC000611394100 1045298920 /nfs/dbraw/zinc/29/89/20/1045298920.db2.gz GSXJIIZYWVQRSK-IBGZPJMESA-N 0 3 342.389 4.369 20 30 EIEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1Cl ZINC000611465923 1045313034 /nfs/dbraw/zinc/31/30/34/1045313034.db2.gz MRWCGGCTVMQXBL-KZULUSFZSA-N 0 3 332.806 4.389 20 30 EIEDHN C=CCN1CCC(NC(=O)c2sccc2-c2ccc(C)cc2)CC1 ZINC000171723128 1045408967 /nfs/dbraw/zinc/40/89/67/1045408967.db2.gz PDJHOYUKBJRKHU-UHFFFAOYSA-N 0 3 340.492 4.104 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN(C)CCOc2ccccc2Cl)cc1 ZINC000768212520 1045753599 /nfs/dbraw/zinc/75/35/99/1045753599.db2.gz KZASNRXJSMAOJN-HNNXBMFYSA-N 0 3 344.842 4.142 20 30 EIEDHN N#Cc1cccc(OC2CCN(Cc3cncc4ccccc43)CC2)c1 ZINC000768893453 1045854668 /nfs/dbraw/zinc/85/46/68/1045854668.db2.gz QGLSXNVUVLVOOI-UHFFFAOYSA-N 0 3 343.430 4.150 20 30 EIEDHN CC(C)(Oc1ccc(F)cc1)C(=O)C(C#N)c1nccc2ccccc21 ZINC000792092244 1045861505 /nfs/dbraw/zinc/86/15/05/1045861505.db2.gz AJEJKJXNMCIDNG-SFHVURJKSA-N 0 3 348.377 4.408 20 30 EIEDHN Cc1[nH]c(-c2ccccc2)nc1C(C)N=Nc1cc([N+](=O)[O-])ccc1C ZINC000747060132 1045883055 /nfs/dbraw/zinc/88/30/55/1045883055.db2.gz JCDVTLYLQRKFOU-UHFFFAOYSA-N 0 3 349.394 4.438 20 30 EIEDHN C#CCCOc1ccc(CN2CCC(Nc3cccc(C)c3)CC2)cc1 ZINC000769470414 1045985224 /nfs/dbraw/zinc/98/52/24/1045985224.db2.gz MHHBDBWTGKFHPY-UHFFFAOYSA-N 0 3 348.490 4.474 20 30 EIEDHN N#CC1(c2ccccc2)CCC(N2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001170379064 1046034470 /nfs/dbraw/zinc/03/44/70/1046034470.db2.gz OXYJMSXKAOJPEO-ADKAHSJRSA-N 0 3 336.401 4.460 20 30 EIEDHN N#Cc1ccccc1-c1ccc(CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000611578962 1046193938 /nfs/dbraw/zinc/19/39/38/1046193938.db2.gz GPZWIFUBJLRLPS-GOSISDBHSA-N 0 3 342.389 4.429 20 30 EIEDHN C=CCOc1ccc(CNC(C)(C)c2cccc(F)c2)cc1OC ZINC000124661955 1046256106 /nfs/dbraw/zinc/25/61/06/1046256106.db2.gz XEBFLNRYNATKDL-UHFFFAOYSA-N 0 3 329.415 4.424 20 30 EIEDHN C=C(C)CN(C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000497114311 1046345182 /nfs/dbraw/zinc/34/51/82/1046345182.db2.gz LDJWKOHPKOABEV-UHFFFAOYSA-N 0 3 327.472 4.322 20 30 EIEDHN N#CC(C(=O)CCCC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000771262215 1046362476 /nfs/dbraw/zinc/36/24/76/1046362476.db2.gz VJWRHSYSTNBVLM-VIFPVBQESA-N 0 3 345.271 4.340 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC2CCCCC2)c1 ZINC000916896592 1046427183 /nfs/dbraw/zinc/42/71/83/1046427183.db2.gz LQGMSVUPDAIRAI-SFHVURJKSA-N 0 3 326.440 4.393 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC2CCCCC2)cc1 ZINC000916909955 1046457078 /nfs/dbraw/zinc/45/70/78/1046457078.db2.gz MFOOUOXDENBMQR-GOSISDBHSA-N 0 3 326.440 4.257 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC000916913181 1046457232 /nfs/dbraw/zinc/45/72/32/1046457232.db2.gz NMTKWKIUZOONNY-KZNAEPCWSA-N 0 3 338.451 4.135 20 30 EIEDHN N#Cc1ccc(OCCCN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000916997352 1046549127 /nfs/dbraw/zinc/54/91/27/1046549127.db2.gz WWFRMXHFJAHLKH-UHFFFAOYSA-N 0 3 336.410 4.256 20 30 EIEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1OC ZINC000080453563 1046617903 /nfs/dbraw/zinc/61/79/03/1046617903.db2.gz AZZHXGHTXOWSDF-ZDUSSCGKSA-N 0 3 344.436 4.164 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(OC(F)F)cc2)n1 ZINC000080453494 1046618153 /nfs/dbraw/zinc/61/81/53/1046618153.db2.gz HPZNSORHUVWXOR-GFCCVEGCSA-N 0 3 336.363 4.358 20 30 EIEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080459584 1046619679 /nfs/dbraw/zinc/61/96/79/1046619679.db2.gz QTTVQLYMGCPANO-OAHLLOKOSA-N 0 3 326.421 4.321 20 30 EIEDHN CCN(CC)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1F ZINC000785617114 1046726342 /nfs/dbraw/zinc/72/63/42/1046726342.db2.gz KSVJYKVSXOHYTF-FQEVSTJZSA-N 0 3 337.442 4.321 20 30 EIEDHN C=CCC[C@@H](O)CN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459588713 1046788834 /nfs/dbraw/zinc/78/88/34/1046788834.db2.gz HSYZOJSVYVPYEX-PBHICJAKSA-N 0 3 333.863 4.070 20 30 EIEDHN CC[C@H](CC#N)NC1C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170468126 1046801350 /nfs/dbraw/zinc/80/13/50/1046801350.db2.gz HAXLSVRZEYXLMZ-PVAVHDDUSA-N 0 3 337.508 4.225 20 30 EIEDHN C=C(C)COCCN[C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000536849989 1046821501 /nfs/dbraw/zinc/82/15/01/1046821501.db2.gz DALNDWIMWUUECP-QGZVFWFLSA-N 0 3 327.472 4.041 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2sc3cc(F)ccc3c2C)CC1 ZINC000497496672 1046833159 /nfs/dbraw/zinc/83/31/59/1046833159.db2.gz HAIOOBOEBFDTCT-UHFFFAOYSA-N 0 3 346.471 4.119 20 30 EIEDHN Cc1cc(Br)cc2c1[C@@H](NCc1ccc(C#N)cc1)CC2 ZINC000786790563 1046870338 /nfs/dbraw/zinc/87/03/38/1046870338.db2.gz AAUHYELXMDFJRW-KRWDZBQOSA-N 0 3 341.252 4.406 20 30 EIEDHN Cc1cc(C)cc([C@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000537104435 1046932466 /nfs/dbraw/zinc/93/24/66/1046932466.db2.gz ZMUGLDJMYKJMER-AWEZNQCLSA-N 0 3 341.842 4.118 20 30 EIEDHN CC#CCCCCOC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805920456 1047053899 /nfs/dbraw/zinc/05/38/99/1047053899.db2.gz RUBYVJJHQMYRER-UHFFFAOYSA-N 0 3 327.468 4.026 20 30 EIEDHN COc1ccc(CN(CC2(C#N)CC2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000537290055 1047070607 /nfs/dbraw/zinc/07/06/07/1047070607.db2.gz IFALWTFMKBWKSF-AEFFLSMTSA-N 0 3 342.483 4.388 20 30 EIEDHN COc1ccc(CN(CC2(C#N)CC2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000537290058 1047070788 /nfs/dbraw/zinc/07/07/88/1047070788.db2.gz IFALWTFMKBWKSF-FUHWJXTLSA-N 0 3 342.483 4.388 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1Cl ZINC000746734350 1047135425 /nfs/dbraw/zinc/13/54/25/1047135425.db2.gz QZDQSDQRWXORQE-UHFFFAOYSA-N 0 3 342.826 4.075 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2cc3ccccc3[nH]2)ccc1OC ZINC000788517539 1047212134 /nfs/dbraw/zinc/21/21/34/1047212134.db2.gz CHIGYIGRVWPFAQ-GOSISDBHSA-N 0 3 349.434 4.147 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000747362269 1047384429 /nfs/dbraw/zinc/38/44/29/1047384429.db2.gz VPBDTIRTMVARAX-GNKPEBMXSA-N 0 3 348.899 4.438 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747362269 1047384442 /nfs/dbraw/zinc/38/44/42/1047384442.db2.gz VPBDTIRTMVARAX-GNKPEBMXSA-N 0 3 348.899 4.438 20 30 EIEDHN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NCc1nc(C#N)cs1 ZINC000897628963 1047404317 /nfs/dbraw/zinc/40/43/17/1047404317.db2.gz DMOYYEYDLNIQST-ZDUSSCGKSA-N 0 3 339.386 4.144 20 30 EIEDHN COc1ccc(C#N)cc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000746919029 1047600781 /nfs/dbraw/zinc/60/07/81/1047600781.db2.gz BEHWDBCKDWOSBS-UHFFFAOYSA-N 0 3 336.435 4.217 20 30 EIEDHN COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000746919029 1047600795 /nfs/dbraw/zinc/60/07/95/1047600795.db2.gz BEHWDBCKDWOSBS-UHFFFAOYSA-N 0 3 336.435 4.217 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(O[C@H](C)CC)cc2)CC1 ZINC000106323384 1047672528 /nfs/dbraw/zinc/67/25/28/1047672528.db2.gz TXZSUTUYWMPKCK-MRXNPFEDSA-N 0 3 345.487 4.026 20 30 EIEDHN N#CCC[C@@H](C#N)CNC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000556483431 1047786630 /nfs/dbraw/zinc/78/66/30/1047786630.db2.gz WGHGKSSTEQMHSH-PXNSSMCTSA-N 0 3 342.446 4.333 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000824468138 1047877612 /nfs/dbraw/zinc/87/76/12/1047877612.db2.gz CMUJYFOEJBHLBG-RBZFPXEDSA-N 0 3 342.389 4.423 20 30 EIEDHN N#Cc1cccc(O[C@@H]2CCCN(Cc3c[nH]c4cccc(F)c34)C2)c1 ZINC001136985356 1048030536 /nfs/dbraw/zinc/03/05/36/1048030536.db2.gz CUKMHOVAPNYXHI-GOSISDBHSA-N 0 3 349.409 4.222 20 30 EIEDHN Cc1cc(CNCc2ccc(C#N)c(F)c2)cc(C)c1OC(F)F ZINC000825226512 1048054255 /nfs/dbraw/zinc/05/42/55/1048054255.db2.gz HQRWZCHSCRYRBP-UHFFFAOYSA-N 0 3 334.341 4.205 20 30 EIEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(SCCOC)cc2)cc1 ZINC000809616002 1048422533 /nfs/dbraw/zinc/42/25/33/1048422533.db2.gz PFTBDMNDTQZKRE-INIZCTEOSA-N 0 3 325.477 4.257 20 30 EIEDHN C[C@@H]1[C@@H](OC(=O)CCCCCC#N)CCCN1Cc1ccccc1 ZINC000816470371 1048807738 /nfs/dbraw/zinc/80/77/38/1048807738.db2.gz MQWYUASZNKRYNM-MJGOQNOKSA-N 0 3 328.456 4.057 20 30 EIEDHN CCC[C@@H](C(=O)C(C#N)c1nc(C(C)C)cs1)c1ccccn1 ZINC000810606400 1048831543 /nfs/dbraw/zinc/83/15/43/1048831543.db2.gz WVRQYBNDDIZRLH-ZIAGYGMSSA-N 0 3 327.453 4.422 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCSC[C@H]1c1ccc(F)cc1 ZINC001171224242 1048858329 /nfs/dbraw/zinc/85/83/29/1048858329.db2.gz QCMTUJFTZGZZFV-YWZLYKJASA-N 0 3 340.467 4.418 20 30 EIEDHN CC(=O)C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000846947411 1048958678 /nfs/dbraw/zinc/95/86/78/1048958678.db2.gz RDCPVVCKZATAGB-UHFFFAOYSA-N 0 3 346.474 4.187 20 30 EIEDHN C#C[C@@H]1CCCN(Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000847022760 1048981608 /nfs/dbraw/zinc/98/16/08/1048981608.db2.gz XIVXTVNLMZOVTL-MRXNPFEDSA-N 0 3 346.430 4.349 20 30 EIEDHN Cc1nn(-c2ccccc2)c(C)c1CNCc1c(C)cc(C#N)cc1C ZINC000921493246 1049003671 /nfs/dbraw/zinc/00/36/71/1049003671.db2.gz KLHOYSGLDNCGPP-UHFFFAOYSA-N 0 3 344.462 4.267 20 30 EIEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000763453514 1049082137 /nfs/dbraw/zinc/08/21/37/1049082137.db2.gz NYVGADMSUWAZKL-MSOLQXFVSA-N 0 3 348.874 4.022 20 30 EIEDHN COc1ccc([C@@H](C)CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000175122169 1049108136 /nfs/dbraw/zinc/10/81/36/1049108136.db2.gz VQEDFKKJJWIGFT-BBRMVZONSA-N 0 3 334.375 4.206 20 30 EIEDHN C#CCOc1ccccc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000772986707 1049265289 /nfs/dbraw/zinc/26/52/89/1049265289.db2.gz CWKZRLMJROKKTM-QGZVFWFLSA-N 0 3 345.446 4.044 20 30 EIEDHN COc1ccc(Cl)c2c1C[C@@H](N(CCC#N)C1CCCC1)CC2 ZINC001171322032 1049272101 /nfs/dbraw/zinc/27/21/01/1049272101.db2.gz RBPNUZXFNFEGCW-HNNXBMFYSA-N 0 3 332.875 4.364 20 30 EIEDHN C=CCC1(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CCC1 ZINC001136363425 1049535372 /nfs/dbraw/zinc/53/53/72/1049535372.db2.gz XNTXMBNKHYKVTC-FQEVSTJZSA-N 0 3 340.511 4.322 20 30 EIEDHN COc1ccc(CN[C@H]2CCCOc3c(C)cc(C)cc32)cc1C#N ZINC000773079296 1049570059 /nfs/dbraw/zinc/57/00/59/1049570059.db2.gz YLJALPZWLMCJGT-IBGZPJMESA-N 0 3 336.435 4.187 20 30 EIEDHN CCOc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1C ZINC000080454729 1049582642 /nfs/dbraw/zinc/58/26/42/1049582642.db2.gz AYIOLNLWNOMKMB-AWEZNQCLSA-N 0 3 328.437 4.464 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCC2CC2)cc1 ZINC000813060221 1049667922 /nfs/dbraw/zinc/66/79/22/1049667922.db2.gz SQSRXFDVJJGLLG-RDTXWAMCSA-N 0 3 326.440 4.428 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCSC[C@H]1c1ccc(F)cc1 ZINC001172320606 1049877232 /nfs/dbraw/zinc/87/72/32/1049877232.db2.gz WRVPEYMVIBQPGT-YWZLYKJASA-N 0 3 340.467 4.418 20 30 EIEDHN CCCCCCC[C@@H](CC)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001172357707 1049894709 /nfs/dbraw/zinc/89/47/09/1049894709.db2.gz LVUWCAZYOMIJOJ-QGZVFWFLSA-N 0 3 344.503 4.417 20 30 EIEDHN CCCC[C@@H]1C[C@H](NCC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC001172621990 1049959795 /nfs/dbraw/zinc/95/97/95/1049959795.db2.gz KKUOZDMTAFXPLF-IAGOWNOFSA-N 0 3 349.519 4.228 20 30 EIEDHN N#CC1(c2ccccc2)CCN([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172718073 1049963994 /nfs/dbraw/zinc/96/39/94/1049963994.db2.gz FVOFGRRQLJMHEQ-FQEVSTJZSA-N 0 3 336.866 4.365 20 30 EIEDHN CCCCCCCOc1ccc(-c2noc([C@@]34C[C@@H]3CCN4)n2)cc1 ZINC001212343057 1050149059 /nfs/dbraw/zinc/14/90/59/1050149059.db2.gz HVRDMQYIMYYQAG-OXJNMPFZSA-N 0 3 341.455 4.294 20 30 EIEDHN C=CCc1cc(CNCc2cccc(OC(C)C)c2)cc(OC)c1O ZINC001177323137 1050192025 /nfs/dbraw/zinc/19/20/25/1050192025.db2.gz CNLWRCXVQLPTMT-UHFFFAOYSA-N 0 3 341.451 4.206 20 30 EIEDHN N#Cc1cc(CNCCOc2ccccc2-c2ccccc2)cs1 ZINC001177529221 1050243594 /nfs/dbraw/zinc/24/35/94/1050243594.db2.gz OEVBFVVJPIDCEU-UHFFFAOYSA-N 0 3 334.444 4.455 20 30 EIEDHN C[C@H](Cc1ccc(OC(F)(F)F)cc1)NCc1ccccc1C#N ZINC001173088158 1050280216 /nfs/dbraw/zinc/28/02/16/1050280216.db2.gz YGXMPQRZWGOWEX-CYBMUJFWSA-N 0 3 334.341 4.178 20 30 EIEDHN C=C[C@@H](N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC001173185966 1050337692 /nfs/dbraw/zinc/33/76/92/1050337692.db2.gz QHDUJLYIAURHDI-CZUORRHYSA-N 0 3 344.386 4.190 20 30 EIEDHN Cc1cc(C)n(-c2ccccc2CN[C@H](C)c2cccc(C#N)c2)n1 ZINC000181899449 1050382416 /nfs/dbraw/zinc/38/24/16/1050382416.db2.gz KUYCAVOPLPVADR-QGZVFWFLSA-N 0 3 330.435 4.212 20 30 EIEDHN CC(C)[C@@H]1CN(C2CCC(C)(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173595772 1050497847 /nfs/dbraw/zinc/49/78/47/1050497847.db2.gz WJJFNGITCZUHCL-GNZRSQJKSA-N 0 3 349.519 4.036 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(Br)c(F)c1 ZINC000618742652 1050500330 /nfs/dbraw/zinc/50/03/30/1050500330.db2.gz NZJGXCJNLTYKDS-KRWDZBQOSA-N 0 3 345.215 4.237 20 30 EIEDHN CCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1OCC ZINC000618742723 1050501563 /nfs/dbraw/zinc/50/15/63/1050501563.db2.gz QEYYROXEMGDNQL-LJQANCHMSA-N 0 3 336.435 4.133 20 30 EIEDHN Fc1cccc(CNCC2(C(F)(F)F)CC2)c1OC(F)(F)F ZINC001178668244 1050526312 /nfs/dbraw/zinc/52/63/12/1050526312.db2.gz SJRKQAPUQWJHPI-UHFFFAOYSA-N 0 3 331.231 4.156 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCC[C@]1(C)C[C@]1(F)Cl ZINC001179095915 1050632007 /nfs/dbraw/zinc/63/20/07/1050632007.db2.gz QDOWQEPBSXNSQA-HZPDHXFCSA-N 0 3 330.230 4.146 20 30 EIEDHN C=CCOc1cccc(CN[C@@]2(CO)CC[C@H](C)c3ccccc32)c1 ZINC001179789015 1050778054 /nfs/dbraw/zinc/77/80/54/1050778054.db2.gz LMGWTAXAQWOEQJ-HTAPYJJXSA-N 0 3 337.463 4.126 20 30 EIEDHN COc1cc(CN2CCC(c3ccc(F)c(F)c3)CC2)ccc1C#N ZINC000619674391 1050851950 /nfs/dbraw/zinc/85/19/50/1050851950.db2.gz AWAJJKOAJMPYJM-UHFFFAOYSA-N 0 3 342.389 4.225 20 30 EIEDHN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619754814 1050883439 /nfs/dbraw/zinc/88/34/39/1050883439.db2.gz LFAIFTWQKJHGST-GFCCVEGCSA-N 0 3 327.815 4.021 20 30 EIEDHN N#Cc1ccc(CN[C@H]2CSCCc3ccccc32)cc1Cl ZINC000619755119 1050885589 /nfs/dbraw/zinc/88/55/89/1050885589.db2.gz UGNLATUWFUQZIO-SFHVURJKSA-N 0 3 328.868 4.332 20 30 EIEDHN Cc1ccc(-c2n[nH]cc2CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619748542 1050893701 /nfs/dbraw/zinc/89/37/01/1050893701.db2.gz NSWBCEUWQMYWSP-UHFFFAOYSA-N 0 3 336.826 4.200 20 30 EIEDHN Cc1cccc(-c2n[nH]cc2CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748695 1050894978 /nfs/dbraw/zinc/89/49/78/1050894978.db2.gz LNVGZSNALRKUCF-UHFFFAOYSA-N 0 3 336.826 4.200 20 30 EIEDHN COc1ccc(CN[C@H](C)c2ccsc2)cc1OCCCC#N ZINC000619747859 1050895059 /nfs/dbraw/zinc/89/50/59/1050895059.db2.gz KKCBHKZGIWPYDB-CQSZACIVSA-N 0 3 330.453 4.290 20 30 EIEDHN CC(C)C1CCC(CN2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC001180271712 1050942435 /nfs/dbraw/zinc/94/24/35/1050942435.db2.gz QWNKNCBLZGQCSG-UHFFFAOYSA-N 0 3 343.490 4.282 20 30 EIEDHN Cc1oc(NC(=O)CN[C@@H](c2ccccc2C)C(C)C)c(C#N)c1C ZINC000183214476 1051030666 /nfs/dbraw/zinc/03/06/66/1051030666.db2.gz GHIRHRFDSVLNHN-LJQANCHMSA-N 0 3 339.439 4.002 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC001190528834 1051205875 /nfs/dbraw/zinc/20/58/75/1051205875.db2.gz MQXGWLSDHQDBIL-OAQYLSRUSA-N 0 3 334.463 4.356 20 30 EIEDHN CO[C@H](CN1CCc2c(CC#N)cccc2C1)c1ccc(Cl)cc1 ZINC001175062899 1051315964 /nfs/dbraw/zinc/31/59/64/1051315964.db2.gz VOKDLWZJNATYDF-HXUWFJFHSA-N 0 3 340.854 4.152 20 30 EIEDHN CC(C)[C@@H](CO)N(CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC001191306528 1051420985 /nfs/dbraw/zinc/42/09/85/1051420985.db2.gz QLTVUBMTEYHMLL-OAQYLSRUSA-N 0 3 341.882 4.211 20 30 EIEDHN CC[C@@H](NCc1cccc(O[C@H](C#N)CC)c1)c1ccc(C#N)cc1 ZINC000774241246 1051513455 /nfs/dbraw/zinc/51/34/55/1051513455.db2.gz BBVGNEAFDUCQAJ-PZJWPPBQSA-N 0 3 333.435 4.480 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCNc3ccccc32)c1 ZINC000774245232 1051519829 /nfs/dbraw/zinc/51/98/29/1051519829.db2.gz SBVKKQZUUNEQKK-UWJYYQICSA-N 0 3 335.451 4.404 20 30 EIEDHN Cc1cccc([C@H](O)CN(Cc2ccccc2)CC2(CC#N)CC2)c1 ZINC001192173278 1051647266 /nfs/dbraw/zinc/64/72/66/1051647266.db2.gz HTNRWMQIRNFFJL-OAQYLSRUSA-N 0 3 334.463 4.225 20 30 EIEDHN Clc1cccc(C#CCN2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC001193012305 1051853671 /nfs/dbraw/zinc/85/36/71/1051853671.db2.gz PKGDIDYKAVPLNB-IBGZPJMESA-N 0 3 349.865 4.206 20 30 EIEDHN C[C@@H](NCC(=O)Nc1sccc1C#N)c1cc2ccccc2s1 ZINC000184373235 1051930076 /nfs/dbraw/zinc/93/00/76/1051930076.db2.gz INHZPDGRLHMWMJ-LLVKDONJSA-N 0 3 341.461 4.124 20 30 EIEDHN C=CCN(C)CCN(CC)Cc1ccc(Cl)cc1Br ZINC001193913301 1052028269 /nfs/dbraw/zinc/02/82/69/1052028269.db2.gz ITOKPXOYLHTJGH-UHFFFAOYSA-N 0 3 345.712 4.042 20 30 EIEDHN CSc1ccccc1CN(C)CCCOc1ccc(C#N)cc1 ZINC001193974341 1052034959 /nfs/dbraw/zinc/03/49/59/1052034959.db2.gz CEPNJIGPVJPQQE-UHFFFAOYSA-N 0 3 326.465 4.181 20 30 EIEDHN CC(C)(CCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)C1CC1 ZINC001193991476 1052054745 /nfs/dbraw/zinc/05/47/45/1052054745.db2.gz VDHVONWUCIXJQB-IBGZPJMESA-N 0 3 345.918 4.349 20 30 EIEDHN COc1ccc(C#N)cc1CN1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001176787598 1052191013 /nfs/dbraw/zinc/19/10/13/1052191013.db2.gz FPLMILPPADAUTG-UHFFFAOYSA-N 0 3 345.446 4.428 20 30 EIEDHN C=CCC[C@@H](NCC(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 ZINC000180042524 1052775410 /nfs/dbraw/zinc/77/54/10/1052775410.db2.gz KVBRRWHPSHYAAO-HXUWFJFHSA-N 0 3 336.435 4.125 20 30 EIEDHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000193089384 1053023105 /nfs/dbraw/zinc/02/31/05/1053023105.db2.gz URGWCVGVWMMQHL-UTKZUKDTSA-N 0 3 347.462 4.063 20 30 EIEDHN C=C(Cl)CN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002535 1053227254 /nfs/dbraw/zinc/22/72/54/1053227254.db2.gz GXQLONDTZWNCBG-VQTJNVASSA-N 0 3 344.861 4.136 20 30 EIEDHN CC(C)[C@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)N1CCCCC1 ZINC000797570643 1053346375 /nfs/dbraw/zinc/34/63/75/1053346375.db2.gz IRNDFOQQJDRKFT-GDBMZVCRSA-N 0 3 347.528 4.127 20 30 EIEDHN C#CCOc1ccc([C@H](C)NCc2cccc(Br)c2)cc1 ZINC000765461250 1053556098 /nfs/dbraw/zinc/55/60/98/1053556098.db2.gz LMTOTNAGDGBNMH-AWEZNQCLSA-N 0 3 344.252 4.312 20 30 EIEDHN CC(C)(NCc1cccc(C(=O)C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000852353188 1053572758 /nfs/dbraw/zinc/57/27/58/1053572758.db2.gz DBFKGCNQDWFGDJ-UHFFFAOYSA-N 0 3 346.352 4.328 20 30 EIEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852711215 1053604374 /nfs/dbraw/zinc/60/43/74/1053604374.db2.gz CXHOWESYPUSDNZ-RRFJBIMHSA-N 0 3 341.480 4.126 20 30 EIEDHN N#CCOc1ccc(CN2CCC3(C=Cc4ccccc4O3)CC2)cc1 ZINC000852730241 1053606491 /nfs/dbraw/zinc/60/64/91/1053606491.db2.gz PMHIAAVTGAJNBV-UHFFFAOYSA-N 0 3 346.430 4.029 20 30 EIEDHN C[C@@H]1CCCC[C@H]1OCCN1CCC(Nc2ccccc2C#N)CC1 ZINC001196535359 1053695844 /nfs/dbraw/zinc/69/58/44/1053695844.db2.gz KVDNGJTZOIGLTR-DYESRHJHSA-N 0 3 341.499 4.030 20 30 EIEDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000776729982 1053807694 /nfs/dbraw/zinc/80/76/94/1053807694.db2.gz OGGPWEIXXQLVJC-OAHLLOKOSA-N 0 3 325.431 4.394 20 30 EIEDHN CC(C)c1ccc([C@@H](C)CC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000121836463 1053851421 /nfs/dbraw/zinc/85/14/21/1053851421.db2.gz ZDGXLMSBFDVTIA-HNAYVOBHSA-N 0 3 340.467 4.071 20 30 EIEDHN COc1ccc([C@@H]2CCCN2Cc2ccc(C#N)cc2C)cc1OC ZINC000186160970 1053864358 /nfs/dbraw/zinc/86/43/58/1053864358.db2.gz XGKLXDLTDZOAFS-IBGZPJMESA-N 0 3 336.435 4.221 20 30 EIEDHN C#CCCOc1ccc(CNCc2cccc(OCC(F)F)c2)cc1 ZINC000113337162 1053924091 /nfs/dbraw/zinc/92/40/91/1053924091.db2.gz WZTDBHCQOVOUSE-UHFFFAOYSA-N 0 3 345.389 4.022 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2cccc(Cl)c2)ccc1OC ZINC000113347862 1053924870 /nfs/dbraw/zinc/92/48/70/1053924870.db2.gz UZZCLBBWZXYXOI-QGZVFWFLSA-N 0 3 344.842 4.319 20 30 EIEDHN C[C@@H]1Cc2n[nH]cc2CN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001197785139 1053994905 /nfs/dbraw/zinc/99/49/05/1053994905.db2.gz BDMJMIQORWKTMT-MRXNPFEDSA-N 0 3 342.446 4.143 20 30 EIEDHN CC(C)(C(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CCCCO1 ZINC000870124655 1054063443 /nfs/dbraw/zinc/06/34/43/1054063443.db2.gz ZAVLBVPYDDDYEA-DOMZBBRYSA-N 0 3 328.437 4.068 20 30 EIEDHN C[C@H](CCc1ccc(F)cc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000870162796 1054066049 /nfs/dbraw/zinc/06/60/49/1054066049.db2.gz NHGUKNJAYWDAAX-CJNGLKHVSA-N 0 3 336.366 4.412 20 30 EIEDHN COc1ccc(CN2CCC(c3ccc(N(C)C)cc3)CC2)cc1C#N ZINC000775879733 1054202399 /nfs/dbraw/zinc/20/23/99/1054202399.db2.gz BTKJTZAEZVZVFB-UHFFFAOYSA-N 0 3 349.478 4.012 20 30 EIEDHN COc1ccc(C#N)cc1CN1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775887329 1054211055 /nfs/dbraw/zinc/21/10/55/1054211055.db2.gz NBITUPPFNRRQGJ-UHFFFAOYSA-N 0 3 349.478 4.012 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017336 1054401456 /nfs/dbraw/zinc/40/14/56/1054401456.db2.gz NPKYQVQOYRRTCM-HRAATJIYSA-N 0 3 347.462 4.435 20 30 EIEDHN C=CCSc1ncccc1C(=O)NCCP(C(C)C)C(C)C ZINC001199746720 1054462371 /nfs/dbraw/zinc/46/23/71/1054462371.db2.gz ZYJZWCGETOEXFR-UHFFFAOYSA-N 0 3 338.457 4.388 20 30 EIEDHN N#CCOc1ccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000858377087 1054477542 /nfs/dbraw/zinc/47/75/42/1054477542.db2.gz VADFYGHFRRDTML-GOSISDBHSA-N 0 3 330.790 4.159 20 30 EIEDHN CCCN(CC)c1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000124545900 1054542317 /nfs/dbraw/zinc/54/23/17/1054542317.db2.gz JLKPZWHPRAPHHQ-MRXNPFEDSA-N 0 3 327.453 4.178 20 30 EIEDHN COc1cc(CN(C)Cc2ccc(C#N)cc2C)ccc1SC ZINC000186191395 1054556154 /nfs/dbraw/zinc/55/61/54/1054556154.db2.gz ZTGMAZSGOFKKPF-UHFFFAOYSA-N 0 3 326.465 4.229 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000124932901 1054648167 /nfs/dbraw/zinc/64/81/67/1054648167.db2.gz REBXQHBSFJUZCK-KGLIPLIRSA-N 0 3 330.378 4.449 20 30 EIEDHN N#Cc1cc(F)cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001201475632 1054829063 /nfs/dbraw/zinc/82/90/63/1054829063.db2.gz XCCJLQYTXYLJEC-RTWAWAEBSA-N 0 3 333.410 4.430 20 30 EIEDHN N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1F ZINC001201475729 1054829893 /nfs/dbraw/zinc/82/98/93/1054829893.db2.gz YTZBAKKQCPWADN-UXHICEINSA-N 0 3 333.410 4.430 20 30 EIEDHN N#Cc1ccc(F)cc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201478036 1054831789 /nfs/dbraw/zinc/83/17/89/1054831789.db2.gz RWCBCNUUYFDHGM-UXHICEINSA-N 0 3 333.410 4.430 20 30 EIEDHN CCCCCCCN1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001201776523 1054914929 /nfs/dbraw/zinc/91/49/29/1054914929.db2.gz DZZOWWMAOOIBKB-NRFANRHFSA-N 0 3 343.515 4.009 20 30 EIEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000876593268 1054934050 /nfs/dbraw/zinc/93/40/50/1054934050.db2.gz YSBUHWUMZKZLAO-KGLIPLIRSA-N 0 3 347.673 4.127 20 30 EIEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000876600954 1054935932 /nfs/dbraw/zinc/93/59/32/1054935932.db2.gz WETOAQCQLXQGBR-GOEBONIOSA-N 0 3 348.899 4.308 20 30 EIEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 ZINC000876600953 1054936151 /nfs/dbraw/zinc/93/61/51/1054936151.db2.gz WETOAQCQLXQGBR-GDBMZVCRSA-N 0 3 348.899 4.308 20 30 EIEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1CC[C@@H](C)CCC=C(C)C ZINC001201970765 1054971304 /nfs/dbraw/zinc/97/13/04/1054971304.db2.gz BHQXRQLRIUOJBX-ICSRJNTNSA-N 0 3 345.531 4.295 20 30 EIEDHN Cc1ccc(-c2ccccc2NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000877133689 1055022903 /nfs/dbraw/zinc/02/29/03/1055022903.db2.gz GZSIERURYQQDAP-HNNXBMFYSA-N 0 3 327.453 4.073 20 30 EIEDHN CC(=O)[C@](C#N)(CCN1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000877903638 1055149258 /nfs/dbraw/zinc/14/92/58/1055149258.db2.gz ZILHSWGVTIEIMZ-UYAOXDASSA-N 0 3 338.476 4.326 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccsc2)cc1 ZINC000131514876 1055242979 /nfs/dbraw/zinc/24/29/79/1055242979.db2.gz VHTDPRUNJNBNJT-LRDDRELGSA-N 0 3 326.421 4.223 20 30 EIEDHN C[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCCC[C@H]12 ZINC000075625391 1055256917 /nfs/dbraw/zinc/25/69/17/1055256917.db2.gz GYMTZRTWTYBBGX-OLMNPRSZSA-N 0 3 336.439 4.009 20 30 EIEDHN CC(=O)[C@](C#N)(CCN1CC[C@H](c2cccc(C)c2)C1)c1ccccc1 ZINC000878404964 1055291772 /nfs/dbraw/zinc/29/17/72/1055291772.db2.gz ACGMCHWJZYDUPR-JTHBVZDNSA-N 0 3 346.474 4.225 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000186319945 1055350730 /nfs/dbraw/zinc/35/07/30/1055350730.db2.gz YBJSIVSZWLDKSP-OAHLLOKOSA-N 0 3 333.435 4.066 20 30 EIEDHN N#Cc1cc(NC[C@@H](c2ccco2)N2CCCC2)ccc1C(F)(F)F ZINC000301747555 1055978536 /nfs/dbraw/zinc/97/85/36/1055978536.db2.gz RCUWRDXTQSNOLY-INIZCTEOSA-N 0 3 349.356 4.419 20 30 EIEDHN CC(=O)c1ccc(C#N)c(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000302099611 1056016278 /nfs/dbraw/zinc/01/62/78/1056016278.db2.gz KTEIFSMHURERNL-IIBYNOLFSA-N 0 3 347.462 4.083 20 30 EIEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000302115452 1056019390 /nfs/dbraw/zinc/01/93/90/1056019390.db2.gz RGTGIIHTKBMAMO-NRFANRHFSA-N 0 3 333.435 4.010 20 30 EIEDHN N#Cc1ccc(CN(CCc2ccccn2)Cc2cccc(F)c2)cc1 ZINC000057660644 1056095133 /nfs/dbraw/zinc/09/51/33/1056095133.db2.gz IOGXXDBOYJSEBB-UHFFFAOYSA-N 0 3 345.421 4.337 20 30 EIEDHN N#Cc1ccc(NC[C@H](c2ccco2)N2CCCC2)cc1C(F)(F)F ZINC000111104193 1056746700 /nfs/dbraw/zinc/74/67/00/1056746700.db2.gz NCHMDYPBLKIIKY-MRXNPFEDSA-N 0 3 349.356 4.419 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccccc2)CC2CCOCC2)c(F)c1 ZINC000111261498 1056780093 /nfs/dbraw/zinc/78/00/93/1056780093.db2.gz HFSKOHFPAOFXGC-UHFFFAOYSA-N 0 3 338.426 4.126 20 30 EIEDHN N#CC(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc2ccccc2n1 ZINC000744017011 1059202508 /nfs/dbraw/zinc/20/25/08/1059202508.db2.gz XKOYQYGDNKJGGZ-JYJNAYRXSA-N 0 3 348.352 4.493 20 30 EIEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccco1 ZINC000744061824 1059235582 /nfs/dbraw/zinc/23/55/82/1059235582.db2.gz PRIUHFWGKXEQCQ-IUODEOHRSA-N 0 3 347.399 4.255 20 30 EIEDHN CC1(C)CCc2ccccc2[C@@H](NCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001169667744 1060892529 /nfs/dbraw/zinc/89/25/29/1060892529.db2.gz WGINWUSVGYVMBR-FQEVSTJZSA-N 0 3 347.462 4.190 20 30 EIEDHN COc1cc(C#N)ccc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000766900787 1061049046 /nfs/dbraw/zinc/04/90/46/1061049046.db2.gz FAYKBZDNJRINDM-UHFFFAOYSA-N 0 3 336.435 4.217 20 30 EIEDHN COc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000766900787 1061049059 /nfs/dbraw/zinc/04/90/59/1061049059.db2.gz FAYKBZDNJRINDM-UHFFFAOYSA-N 0 3 336.435 4.217 20 30 EIEDHN CCc1ccc([C@@H](NCC(=O)Nc2sccc2C#N)C(C)C)cc1 ZINC000067445822 215146646 /nfs/dbraw/zinc/14/66/46/215146646.db2.gz OXBOMJTZFNDZQR-SFHVURJKSA-N 0 3 341.480 4.108 20 30 EIEDHN C#C[C@H]1CC[C@H](N[C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000872139747 1054411450 /nfs/dbraw/zinc/41/14/50/1054411450.db2.gz PCIWYTCEKSADNM-MPKXVKKWSA-N 0 3 339.302 4.138 20 30 EIEDHN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccc(C2CC2)cc1 ZINC000419357526 1032365608 /nfs/dbraw/zinc/36/56/08/1032365608.db2.gz PJYBPVUDFNUBCU-QGZVFWFLSA-N 0 3 347.462 4.161 20 30 EIEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ccc(C#N)cc1F ZINC000533446301 1032777033 /nfs/dbraw/zinc/77/70/33/1032777033.db2.gz RKSRASLCTZDKHI-XIKOKIGWSA-N 0 3 332.806 4.217 20 30 EIEDHN CCOc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000339414971 1018856372 /nfs/dbraw/zinc/85/63/72/1018856372.db2.gz KQRZWZLYTLQCMS-UHFFFAOYSA-N 0 3 336.435 4.130 20 30 EIEDHN C=CCN(CCCc1cccc(OC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000610213005 1019363654 /nfs/dbraw/zinc/36/36/54/1019363654.db2.gz WSSGMVPWVYZNKA-UHFFFAOYSA-N 0 3 340.423 4.224 20 30 EIEDHN CC(C)c1nn(-c2ccccc2)c(Cl)c1CNCCCCC#N ZINC000236630370 1032823225 /nfs/dbraw/zinc/82/32/25/1032823225.db2.gz PXQLUCSXZMWRSP-UHFFFAOYSA-N 0 3 330.863 4.433 20 30 EIEDHN N#Cc1cccc(OCCN2CCC[C@@H]2c2ccccc2Cl)c1 ZINC001167084036 1019743310 /nfs/dbraw/zinc/74/33/10/1019743310.db2.gz JXHPHIPCSNNBHY-LJQANCHMSA-N 0 3 326.827 4.428 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccccc1C#N ZINC000043303456 1020364293 /nfs/dbraw/zinc/36/42/93/1020364293.db2.gz HYZFPCOFEAJVLT-JKSUJKDBSA-N 0 3 343.430 4.389 20 30 EIEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc2ccccc21 ZINC000043303454 1020366079 /nfs/dbraw/zinc/36/60/79/1020366079.db2.gz HYZFPCOFEAJVLT-CVEARBPZSA-N 0 3 343.430 4.389 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccccc2CCC(F)(F)F)n1 ZINC000340199967 1020617923 /nfs/dbraw/zinc/61/79/23/1020617923.db2.gz CBEHEHAPFVFWKD-ZDUSSCGKSA-N 0 3 338.354 4.437 20 30 EIEDHN CCOC(=O)C1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000023622557 1020855400 /nfs/dbraw/zinc/85/54/00/1020855400.db2.gz STTFBOKJIPXTRL-UHFFFAOYSA-N 0 3 348.446 4.000 20 30 EIEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1cc2ccccc2o1 ZINC000177564034 1020986085 /nfs/dbraw/zinc/98/60/85/1020986085.db2.gz IXYZGUKJXYGFGV-GFCCVEGCSA-N 0 3 339.420 4.045 20 30 EIEDHN C=CC[C@H](CC)N[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000500823946 1032958195 /nfs/dbraw/zinc/95/81/95/1032958195.db2.gz ANZMZYUDSHTHEF-FXAWDEMLSA-N 0 3 338.451 4.319 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1OCCCC#N ZINC000610344897 1021340616 /nfs/dbraw/zinc/34/06/16/1021340616.db2.gz LAHQMIASZHIRFB-INIZCTEOSA-N 0 3 349.434 4.100 20 30 EIEDHN Cc1ccc(OCCCC(=O)C(C#N)c2nc3ccccc3o2)cc1C ZINC000177606817 1021450373 /nfs/dbraw/zinc/45/03/73/1021450373.db2.gz FSGJGWHNKPMYMR-QGZVFWFLSA-N 0 3 348.402 4.480 20 30 EIEDHN CC[C@]1(CN[C@H](C)c2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000580060140 1021586697 /nfs/dbraw/zinc/58/66/97/1021586697.db2.gz RPFKUVDQAHJGEE-QVKFZJNVSA-N 0 3 338.426 4.226 20 30 EIEDHN CCCc1noc(-c2cccc(CN[C@@H](C)c3cccc(C#N)c3)c2)n1 ZINC000376167454 1021642895 /nfs/dbraw/zinc/64/28/95/1021642895.db2.gz QZVGNSRPFFFPHS-HNNXBMFYSA-N 0 3 346.434 4.412 20 30 EIEDHN CCCCCCCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155626679 1021725454 /nfs/dbraw/zinc/72/54/54/1021725454.db2.gz MYPYMJOCGKDJBG-QGZVFWFLSA-N 0 3 331.504 4.084 20 30 EIEDHN N#CC(C(=O)c1cc2ccc(F)cc2s1)c1nc2ccccc2[nH]1 ZINC000613287410 1021852065 /nfs/dbraw/zinc/85/20/65/1021852065.db2.gz QLZGGZIAEMBPJR-LBPRGKRZSA-N 0 3 335.363 4.407 20 30 EIEDHN N#CC(C(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc2ccccc2n1 ZINC000613290676 1021853801 /nfs/dbraw/zinc/85/38/01/1021853801.db2.gz JVVCICCZVZRJAC-INIZCTEOSA-N 0 3 338.370 4.115 20 30 EIEDHN Cn1cc(CN2CCC[C@H]3CCCC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000180170024 1022096446 /nfs/dbraw/zinc/09/64/46/1022096446.db2.gz MDDADLSRANAINR-YLJYHZDGSA-N 0 3 334.467 4.113 20 30 EIEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(Br)c2Cl)C1 ZINC000414207915 1022161214 /nfs/dbraw/zinc/16/12/14/1022161214.db2.gz HYDHKGAHYMTMMU-PWSUYJOCSA-N 0 3 327.653 4.274 20 30 EIEDHN CCN(CCc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cn1 ZINC000582674669 1022214253 /nfs/dbraw/zinc/21/42/53/1022214253.db2.gz NQFQNDZQDSFLGA-UHFFFAOYSA-N 0 3 333.357 4.037 20 30 EIEDHN CC(C)(C#N)CCCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000610447542 1022231082 /nfs/dbraw/zinc/23/10/82/1022231082.db2.gz LKQNSUSXUWECKP-QWRGUYRKSA-N 0 3 330.316 4.379 20 30 EIEDHN COc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1OC(F)F ZINC000188046797 1022424084 /nfs/dbraw/zinc/42/40/84/1022424084.db2.gz VUVHAGQJJRYXQE-CYBMUJFWSA-N 0 3 346.377 4.361 20 30 EIEDHN CCCCCCCCC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000275990158 1022562992 /nfs/dbraw/zinc/56/29/92/1022562992.db2.gz OTNYWHFXZHDFSC-FQEVSTJZSA-N 0 3 345.531 4.113 20 30 EIEDHN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccccc1CN(C)C ZINC000580945288 1022732402 /nfs/dbraw/zinc/73/24/02/1022732402.db2.gz ZSANIMAIEWQZAB-UHFFFAOYSA-N 0 3 349.459 4.395 20 30 EIEDHN N#Cc1ccc(CN2CCCCC[C@H]2C[C@@H](O)c2ccco2)s1 ZINC000180620723 1022752906 /nfs/dbraw/zinc/75/29/06/1022752906.db2.gz SRXYCCRLAWDOIW-WMLDXEAASA-N 0 3 330.453 4.081 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-c2cncnc2)cc1 ZINC000378449556 1022825562 /nfs/dbraw/zinc/82/55/62/1022825562.db2.gz GEVRDJLXGGICCM-CVEARBPZSA-N 0 3 328.419 4.427 20 30 EIEDHN COCc1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430587762 1023122057 /nfs/dbraw/zinc/12/20/57/1023122057.db2.gz AGVIMJRHKUSTMB-AWEZNQCLSA-N 0 3 328.437 4.077 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(-c3cccnc3)c2)cc1 ZINC000364062761 1023228631 /nfs/dbraw/zinc/22/86/31/1023228631.db2.gz IKJHXCNSIHHFQF-KRWDZBQOSA-N 0 3 343.430 4.329 20 30 EIEDHN COC(=O)c1csc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417361156 1023286851 /nfs/dbraw/zinc/28/68/51/1023286851.db2.gz IPJLQOQETUFAHV-SJCJKPOMSA-N 0 3 340.448 4.135 20 30 EIEDHN CN(C)C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000581518572 1023323481 /nfs/dbraw/zinc/32/34/81/1023323481.db2.gz IWXUYVQSZZOAIB-VQTJNVASSA-N 0 3 339.870 4.091 20 30 EIEDHN CC[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000341221236 1023394400 /nfs/dbraw/zinc/39/44/00/1023394400.db2.gz UIQQPBBFLOZUFA-FXAWDEMLSA-N 0 3 335.451 4.063 20 30 EIEDHN C=CCOc1cccc(CN[C@H]2CC(C)(C)Oc3ccc(N)cc32)c1 ZINC000415025316 1023396916 /nfs/dbraw/zinc/39/69/16/1023396916.db2.gz PTHUGHQGMWMNTR-IBGZPJMESA-N 0 3 338.451 4.226 20 30 EIEDHN C=CCOc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(N)cc32)cc1 ZINC000415021685 1023398573 /nfs/dbraw/zinc/39/85/73/1023398573.db2.gz HRKRFLMEIVEOME-LJQANCHMSA-N 0 3 338.451 4.226 20 30 EIEDHN N#Cc1cccc(CN[C@@H]2CCc3cc(Br)ccc32)c1 ZINC000040227497 1023432680 /nfs/dbraw/zinc/43/26/80/1023432680.db2.gz KPVPQZXVBWVNNK-QGZVFWFLSA-N 0 3 327.225 4.098 20 30 EIEDHN Cc1nn(C(C)(C)C)c(C)c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418140138 1023561015 /nfs/dbraw/zinc/56/10/15/1023561015.db2.gz FJWHCZHUNRLUBU-FQEVSTJZSA-N 0 3 336.483 4.294 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000728711466 1023744368 /nfs/dbraw/zinc/74/43/68/1023744368.db2.gz ALQMWOQIHZLZGA-CYBMUJFWSA-N 0 3 334.341 4.286 20 30 EIEDHN Cc1[nH]c2ccc(CNCc3ccc(O[C@H](C)C#N)cc3)cc2c1C ZINC000728712191 1023758085 /nfs/dbraw/zinc/75/80/85/1023758085.db2.gz YHKQVNDKWAPKTL-CQSZACIVSA-N 0 3 333.435 4.365 20 30 EIEDHN N#Cc1ccccc1OCCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000341575024 1023882838 /nfs/dbraw/zinc/88/28/38/1023882838.db2.gz PZHNHBGTVSBBFL-MRXNPFEDSA-N 0 3 334.341 4.220 20 30 EIEDHN CCc1nc2c(s1)[C@H](N(C)Cc1ccc(C)c(C#N)c1)CCC2 ZINC001167767597 1023885023 /nfs/dbraw/zinc/88/50/23/1023885023.db2.gz YBMOZHWWMTWMBE-QGZVFWFLSA-N 0 3 325.481 4.395 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000175990463 1023892086 /nfs/dbraw/zinc/89/20/86/1023892086.db2.gz ARZUUGAKPKGGSI-CYBMUJFWSA-N 0 3 330.378 4.281 20 30 EIEDHN N#Cc1cccc(OCCN[C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000341599071 1023922076 /nfs/dbraw/zinc/92/20/76/1023922076.db2.gz SUIBQYIBAJWLMH-KRWDZBQOSA-N 0 3 334.341 4.220 20 30 EIEDHN N#CCC1(CN[C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000430718443 1023979199 /nfs/dbraw/zinc/97/91/99/1023979199.db2.gz CQYIPPKLOAGOGL-CYBMUJFWSA-N 0 3 337.286 4.269 20 30 EIEDHN Cc1nc(Cc2ccccc2)sc1[C@H](C)NCC1(CC#N)CC1 ZINC000430743171 1024000308 /nfs/dbraw/zinc/00/03/08/1024000308.db2.gz JNXRJROEZOMUHX-AWEZNQCLSA-N 0 3 325.481 4.387 20 30 EIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cccc(-n2cccn2)c1 ZINC000510626895 1024114045 /nfs/dbraw/zinc/11/40/45/1024114045.db2.gz AXAWDDQDGVMGMU-UHFFFAOYSA-N 0 3 333.435 4.069 20 30 EIEDHN C[C@@H](NCc1ccc(Br)c(F)c1)c1cccc(C#N)c1 ZINC000178401729 1024664931 /nfs/dbraw/zinc/66/49/31/1024664931.db2.gz CMYBVGUSDNKYBM-LLVKDONJSA-N 0 3 333.204 4.311 20 30 EIEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc2ccc(Br)cc2[nH]1 ZINC000662089733 1024855642 /nfs/dbraw/zinc/85/56/42/1024855642.db2.gz DMTMQXVVYZJWRY-BETUJISGSA-N 0 3 332.245 4.008 20 30 EIEDHN C=CCOc1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000342273069 1025733190 /nfs/dbraw/zinc/73/31/90/1025733190.db2.gz FXMWAHOMLOWYMW-LJQANCHMSA-N 0 3 331.843 4.118 20 30 EIEDHN CC[C@@](C)(COc1ncccc1Cl)NCc1cccc(C#N)c1F ZINC000539238503 1025891126 /nfs/dbraw/zinc/89/11/26/1025891126.db2.gz KXYDAFLQAAEGJR-SFHVURJKSA-N 0 3 347.821 4.083 20 30 EIEDHN COCCSc1ccc([C@H](C)NCc2cc(C#N)cs2)cc1 ZINC000344165335 1026081882 /nfs/dbraw/zinc/08/18/82/1026081882.db2.gz QOGSHHQPFHVYAI-ZDUSSCGKSA-N 0 3 332.494 4.209 20 30 EIEDHN CC(C)(C)[C@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000344222226 1026156578 /nfs/dbraw/zinc/15/65/78/1026156578.db2.gz SPULLCCSTXXDHA-INIZCTEOSA-N 0 3 337.467 4.106 20 30 EIEDHN Cc1nc2c(s1)[C@@H](N(C)Cc1c(C)cc(C#N)cc1C)CCC2 ZINC001167859444 1026293138 /nfs/dbraw/zinc/29/31/38/1026293138.db2.gz ICIBNJDXHVODHU-SFHVURJKSA-N 0 3 325.481 4.449 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000550227397 1026381469 /nfs/dbraw/zinc/38/14/69/1026381469.db2.gz RFBJYEIJUUHJIW-LSDHHAIUSA-N 0 3 334.398 4.295 20 30 EIEDHN C=CCOc1ccc(CNCc2ccccc2N(C)C)cc1Cl ZINC000531110574 1026641226 /nfs/dbraw/zinc/64/12/26/1026641226.db2.gz OUZYVJFZJIKHCD-UHFFFAOYSA-N 0 3 330.859 4.261 20 30 EIEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(SCC)cc1 ZINC000507509380 1026821242 /nfs/dbraw/zinc/82/12/42/1026821242.db2.gz KYQMHDUQCFCYID-CVEARBPZSA-N 0 3 332.513 4.038 20 30 EIEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1cnn(CC2CCC2)c1 ZINC000934562841 1026880613 /nfs/dbraw/zinc/88/06/13/1026880613.db2.gz SPFFKJTZNIYSSY-INIZCTEOSA-N 0 3 336.483 4.335 20 30 EIEDHN C[C@H](NCc1ccc(OCc2cccnc2)cc1)c1ccc(C#N)cc1 ZINC000075755595 1027065003 /nfs/dbraw/zinc/06/50/03/1027065003.db2.gz HFMFHJIZNYBLNW-KRWDZBQOSA-N 0 3 343.430 4.383 20 30 EIEDHN CCc1nccn1[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000329187005 1027633175 /nfs/dbraw/zinc/63/31/75/1027633175.db2.gz QTXCFXPWLOYAGG-AEFFLSMTSA-N 0 3 340.471 4.068 20 30 EIEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000474929418 1027798381 /nfs/dbraw/zinc/79/83/81/1027798381.db2.gz JKFYFPXGAAZWOV-SKDRFNHKSA-N 0 3 347.178 4.250 20 30 EIEDHN CC(C)(C)c1nc2cc(NC(=O)C34CCCN3CCC4)ccc2o1 ZINC000328769803 1027805668 /nfs/dbraw/zinc/80/56/68/1027805668.db2.gz IQEQIMGGHBACBB-UHFFFAOYSA-N 0 3 327.428 4.342 20 30 EIEDHN CC1=CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000328885203 1027826923 /nfs/dbraw/zinc/82/69/23/1027826923.db2.gz YYKMANYPTXNJNY-UHFFFAOYSA-N 0 3 329.469 4.129 20 30 EIEDHN C=CC[C@@H]1N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1(C)C ZINC000444784024 1028056286 /nfs/dbraw/zinc/05/62/86/1028056286.db2.gz MNTYZUCZEJNYOX-KRWDZBQOSA-N 0 3 346.427 4.028 20 30 EIEDHN CC[C@@H](NCCOCC(F)(F)C(F)(F)F)c1cc(F)ccc1F ZINC000346551200 1028511527 /nfs/dbraw/zinc/51/15/27/1028511527.db2.gz KDTOZPPDJYSSJB-GFCCVEGCSA-N 0 3 347.274 4.220 20 30 EIEDHN CC[C@@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(C#N)cc1 ZINC000278215798 1028577399 /nfs/dbraw/zinc/57/73/99/1028577399.db2.gz IHVRSCSYVCZDMT-HXUWFJFHSA-N 0 3 334.467 4.184 20 30 EIEDHN C=CCN(CCCC1(C#N)CCOCC1)Cc1ccc(Cl)s1 ZINC000281946605 1029001533 /nfs/dbraw/zinc/00/15/33/1029001533.db2.gz JGBOELXITXTECF-UHFFFAOYSA-N 0 3 338.904 4.490 20 30 EIEDHN C=CCN1CCC(NC(=O)N(CCC)[C@@H](CC)c2ccccc2)CC1 ZINC000522985659 1029148326 /nfs/dbraw/zinc/14/83/26/1029148326.db2.gz DPNOEEOPLPNDFZ-FQEVSTJZSA-N 0 3 343.515 4.210 20 30 EIEDHN Cc1cc(N2CCCCCC2)ccc1NC([O-])=[NH+][C@@H]1CCC[C@@H]1C#N ZINC000329426806 1029159840 /nfs/dbraw/zinc/15/98/40/1029159840.db2.gz JAYHUEJWXNMFPE-VQIMIIECSA-N 0 3 340.471 4.394 20 30 EIEDHN C=CCCCCCN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000524799411 1029231216 /nfs/dbraw/zinc/23/12/16/1029231216.db2.gz ANTSWIFWPIIZGH-KRWDZBQOSA-N 0 3 349.544 4.273 20 30 EIEDHN CC(C)(Cc1ccc(C(F)(F)F)cc1)NCc1nc(C#N)cs1 ZINC000583900992 1029345281 /nfs/dbraw/zinc/34/52/81/1029345281.db2.gz GGDKHKXBMKLYSB-UHFFFAOYSA-N 0 3 339.386 4.144 20 30 EIEDHN Cc1ccc2nccc(N3CCC(C#N)(c4ccccn4)CC3)c2c1 ZINC000548821747 1029655679 /nfs/dbraw/zinc/65/56/79/1029655679.db2.gz MZXSLCJOWHPLAA-UHFFFAOYSA-N 0 3 328.419 4.000 20 30 EIEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000121305663 1029757882 /nfs/dbraw/zinc/75/78/82/1029757882.db2.gz DUNXFAIRHPPLDY-KRWDZBQOSA-N 0 3 347.418 4.088 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN[C@H]3CCC[C@@H]3c3ccccc3)o2)c1 ZINC000525837826 1030059343 /nfs/dbraw/zinc/05/93/43/1030059343.db2.gz ZEIDZVVRXGNXCU-MOPGFXCFSA-N 0 3 344.418 4.034 20 30 EIEDHN COc1ccccc1-c1csc([C@H]2CCCN(CCCC#N)C2)n1 ZINC000447394880 1030062369 /nfs/dbraw/zinc/06/23/69/1030062369.db2.gz HHYGTGXCMZPDGF-HNNXBMFYSA-N 0 3 341.480 4.302 20 30 EIEDHN C=CCCCN[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000447795924 1030330696 /nfs/dbraw/zinc/33/06/96/1030330696.db2.gz QYIGFUGEBLEYFA-FQEVSTJZSA-N 0 3 338.451 4.239 20 30 EIEDHN CN(C)C[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000527810205 1030857041 /nfs/dbraw/zinc/85/70/41/1030857041.db2.gz OUTPRFYTMHDBSY-SFHVURJKSA-N 0 3 348.277 4.258 20 30 EIEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647372464 1030878604 /nfs/dbraw/zinc/87/86/04/1030878604.db2.gz NAUVMPHHXMIDIW-OAHLLOKOSA-N 0 3 326.421 4.298 20 30 EIEDHN N#CC(C(=O)c1cccc([C@H]2CCOC2)c1)c1nc(C2CC2)cs1 ZINC000647378560 1030896981 /nfs/dbraw/zinc/89/69/81/1030896981.db2.gz FRDNGODRJPZFRB-JKSUJKDBSA-N 0 3 338.432 4.014 20 30 EIEDHN C[C@H](N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccc(C#N)cc1F ZINC000527942252 1030957608 /nfs/dbraw/zinc/95/76/08/1030957608.db2.gz JWMWPOIQTWUOHN-RODVOCQOSA-N 0 3 326.802 4.340 20 30 EIEDHN N#CC(C(=O)c1cc2c(s1)CCCCC2)c1nc2ccccc2[nH]1 ZINC000041496862 1031095760 /nfs/dbraw/zinc/09/57/60/1031095760.db2.gz SWRMSTODVBALTB-ZDUSSCGKSA-N 0 3 335.432 4.383 20 30 EIEDHN CCCN(CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000532483589 1031217408 /nfs/dbraw/zinc/21/74/08/1031217408.db2.gz DLFDGNWMIDCGRC-UHFFFAOYSA-N 0 3 344.503 4.152 20 30 EIEDHN CCOc1cccc(/C=N\C[C@@H](c2cccs2)N2CCCC2)c1O ZINC000255843912 1031256905 /nfs/dbraw/zinc/25/69/05/1031256905.db2.gz LAAUVPLWRWLIJB-SMEDBKPVSA-N 0 3 344.480 4.108 20 30 EIEDHN Cc1cc(CNCc2cn(CCC#N)nc2-c2ccccc2)ccc1F ZINC000123275302 1031412995 /nfs/dbraw/zinc/41/29/95/1031412995.db2.gz IXJXKLXZANKDMI-UHFFFAOYSA-N 0 3 348.425 4.201 20 30 EIEDHN CC(C)(C#N)CCCN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000472429489 1031506571 /nfs/dbraw/zinc/50/65/71/1031506571.db2.gz HGCQWTONPSEZON-LJQANCHMSA-N 0 3 335.451 4.286 20 30 EIEDHN Cn1cc(CN2CCC[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000179887110 1031551825 /nfs/dbraw/zinc/55/18/25/1031551825.db2.gz AHUSPMDHSWDHKR-SFHVURJKSA-N 0 3 348.475 4.357 20 30 EIEDHN COCC[C@H](NCc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000449552620 1031840875 /nfs/dbraw/zinc/84/08/75/1031840875.db2.gz JNERIQLHQNNWOW-SFHVURJKSA-N 0 3 348.368 4.444 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(Br)cc2C)n1 ZINC000048520424 1031843463 /nfs/dbraw/zinc/84/34/63/1031843463.db2.gz WRLHUFHDUBQQOE-LBPRGKRZSA-N 0 3 335.226 4.013 20 30 EIEDHN COc1ccc(CN(C)Cc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000614160244 1033538242 /nfs/dbraw/zinc/53/82/42/1033538242.db2.gz QRYKETQZMSWONH-UHFFFAOYSA-N 0 3 338.451 4.137 20 30 EIEDHN C[C@@H](N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000512636231 1033577198 /nfs/dbraw/zinc/57/71/98/1033577198.db2.gz KOEWESLLMQOORP-ZBFHGGJFSA-N 0 3 341.405 4.156 20 30 EIEDHN C[C@@H](NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1F ZINC000512637192 1033581536 /nfs/dbraw/zinc/58/15/36/1033581536.db2.gz SMJPMMBYUTWENW-BEFAXECRSA-N 0 3 341.430 4.168 20 30 EIEDHN COc1ccc([C@H](C)NCc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000614180127 1033594789 /nfs/dbraw/zinc/59/47/89/1033594789.db2.gz YKWAFQHCSFAIDD-AWEZNQCLSA-N 0 3 326.415 4.486 20 30 EIEDHN N#CCCC[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000433012396 1033651074 /nfs/dbraw/zinc/65/10/74/1033651074.db2.gz KKELGQDRLPRLOH-GOSISDBHSA-N 0 3 341.842 4.303 20 30 EIEDHN N#CCCC[C@@H](NCc1cncn1Cc1ccccc1)c1ccccc1 ZINC000433021761 1033677282 /nfs/dbraw/zinc/67/72/82/1033677282.db2.gz YILXENJMMAMDNY-JOCHJYFZSA-N 0 3 344.462 4.456 20 30 EIEDHN COc1cccc([C@H]2C[C@@H](C)CN2Cc2ccc(C#N)cc2OC)c1 ZINC000542247655 1033794397 /nfs/dbraw/zinc/79/43/97/1033794397.db2.gz FDOMYQLXFHOTMP-FOIQADDNSA-N 0 3 336.435 4.159 20 30 EIEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccc(F)cc1F ZINC000178717452 1033816793 /nfs/dbraw/zinc/81/67/93/1033816793.db2.gz UZBHYKBSVPEMIV-RISCZKNCSA-N 0 3 340.329 4.476 20 30 EIEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccc(F)cc1F ZINC000178717428 1033816827 /nfs/dbraw/zinc/81/68/27/1033816827.db2.gz UZBHYKBSVPEMIV-BXUZGUMPSA-N 0 3 340.329 4.476 20 30 EIEDHN C[C@H](NCCC1(C#N)CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000411542379 1033976094 /nfs/dbraw/zinc/97/60/94/1033976094.db2.gz PSOIRHLAIWQFMY-SFHVURJKSA-N 0 3 336.483 4.446 20 30 EIEDHN CC(C)C1CCC(N(C)Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000433182993 1034007205 /nfs/dbraw/zinc/00/72/05/1034007205.db2.gz QIFBLBHLVPSJFS-UHFFFAOYSA-N 0 3 338.455 4.255 20 30 EIEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c(F)c1 ZINC000513046568 1034364672 /nfs/dbraw/zinc/36/46/72/1034364672.db2.gz MKWTWKPBRAYNTA-RBUKOAKNSA-N 0 3 346.352 4.065 20 30 EIEDHN N#CC1(CCN[C@@H](CO)c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000584337464 1034542027 /nfs/dbraw/zinc/54/20/27/1034542027.db2.gz OMWSBTVERQKHLS-INIZCTEOSA-N 0 3 340.389 4.193 20 30 EIEDHN Cc1ccc(-c2nn(-c3ccccc3)cc2CNCC2(CC#N)CC2)o1 ZINC000430023860 1035013392 /nfs/dbraw/zinc/01/33/92/1035013392.db2.gz RDQVGHJCILOQOK-UHFFFAOYSA-N 0 3 346.434 4.224 20 30 EIEDHN N#Cc1cccc(C2(NCc3cc(F)cc(Cl)c3)CCOCC2)c1 ZINC000594985592 1035512148 /nfs/dbraw/zinc/51/21/48/1035512148.db2.gz ZMIKFMZDZHYTNA-UHFFFAOYSA-N 0 3 344.817 4.146 20 30 EIEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)ccc1Cl ZINC000594985055 1035512550 /nfs/dbraw/zinc/51/25/50/1035512550.db2.gz UIAZXMKGFNFVMF-UHFFFAOYSA-N 0 3 340.854 4.316 20 30 EIEDHN Cc1ccc2cc(CNC3(c4cccc(C#N)c4)CCOCC3)[nH]c2c1 ZINC000594980315 1035515985 /nfs/dbraw/zinc/51/59/85/1035515985.db2.gz PFFZSICIZLDWQH-UHFFFAOYSA-N 0 3 345.446 4.144 20 30 EIEDHN Cn1cc(CN2CC=C(C(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000490587453 1035536685 /nfs/dbraw/zinc/53/66/85/1035536685.db2.gz IKMUGZUJXSDCSS-UHFFFAOYSA-N 0 3 334.467 4.137 20 30 EIEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CSCc3ccc(Br)cc32)C1 ZINC000595075619 1035588520 /nfs/dbraw/zinc/58/85/20/1035588520.db2.gz AOSIHHDEWVODER-YVLXSGLVSA-N 0 3 337.286 4.019 20 30 EIEDHN COC(=O)c1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1Cl ZINC000595632908 1035741858 /nfs/dbraw/zinc/74/18/58/1035741858.db2.gz JUGOQNSDXCYPHA-UHFFFAOYSA-N 0 3 342.826 4.023 20 30 EIEDHN CC[C@@H](C)N(CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000595602879 1035745594 /nfs/dbraw/zinc/74/55/94/1035745594.db2.gz XMMNSDKBRABXNX-CABCVRRESA-N 0 3 333.501 4.140 20 30 EIEDHN N#CC[C@H]1CCCN(Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000595610711 1035749468 /nfs/dbraw/zinc/74/94/68/1035749468.db2.gz AGSFRPOMXYVRPE-QGZVFWFLSA-N 0 3 330.435 4.127 20 30 EIEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)CC1=CCCOC1 ZINC000595747252 1035782524 /nfs/dbraw/zinc/78/25/24/1035782524.db2.gz IRXBDIBGKROBDG-UHFFFAOYSA-N 0 3 346.474 4.165 20 30 EIEDHN CC(C)CC1(NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000595832263 1035800597 /nfs/dbraw/zinc/80/05/97/1035800597.db2.gz VLWCAEUERAVVSB-HNNXBMFYSA-N 0 3 345.512 4.045 20 30 EIEDHN Cc1ccc(C)c(OCCC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000054735251 1035832056 /nfs/dbraw/zinc/83/20/56/1035832056.db2.gz OHXOHBAWSVLVHG-HNNXBMFYSA-N 0 3 334.375 4.090 20 30 EIEDHN CCN(CC)[C@@H](CNC(=O)CC1(C#N)CCCCC1)c1ccsc1 ZINC000596793513 1036020503 /nfs/dbraw/zinc/02/05/03/1036020503.db2.gz JNPMVBNWFIMGBR-KRWDZBQOSA-N 0 3 347.528 4.111 20 30 EIEDHN CC(C)(CO)[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000597117147 1036106327 /nfs/dbraw/zinc/10/63/27/1036106327.db2.gz JCVKTUPZDFLOGJ-HXUWFJFHSA-N 0 3 334.463 4.091 20 30 EIEDHN N#CC[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597175415 1036142987 /nfs/dbraw/zinc/14/29/87/1036142987.db2.gz ZBZJKJNNAIJIQI-AWEZNQCLSA-N 0 3 341.436 4.449 20 30 EIEDHN Cc1cc([C@H]2CCN(Cc3cc(C#N)cs3)C2)c(O)cc1Cl ZINC000597224091 1036170650 /nfs/dbraw/zinc/17/06/50/1036170650.db2.gz XHFOCYSPKJTFGJ-ZDUSSCGKSA-N 0 3 332.856 4.277 20 30 EIEDHN CC1(C)CC(N=Nc2nncc3ccccc32)CN1Cc1ccccc1 ZINC000761254739 1036457765 /nfs/dbraw/zinc/45/77/65/1036457765.db2.gz RLGXRGHVMUTGCY-UHFFFAOYSA-N 0 3 345.450 4.082 20 30 EIEDHN CC(C)SCCN[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366983733 1036480572 /nfs/dbraw/zinc/48/05/72/1036480572.db2.gz SLDJTSPPXVXZAX-CYBMUJFWSA-N 0 3 331.510 4.474 20 30 EIEDHN N#CCCn1cc(CN2CC(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000602729614 1036597672 /nfs/dbraw/zinc/59/76/72/1036597672.db2.gz XTLWHDHKMQHUEN-UHFFFAOYSA-N 0 3 342.446 4.063 20 30 EIEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cc(F)c(Cl)cc1Cl ZINC000598601547 1036702625 /nfs/dbraw/zinc/70/26/25/1036702625.db2.gz TWHQHONUEDPFMV-UWVGGRQHSA-N 0 3 333.234 4.084 20 30 EIEDHN CC(C)(C#N)c1ccc(CN[C@H](c2cccs2)C(C)(C)CO)cc1 ZINC000589268761 1036727309 /nfs/dbraw/zinc/72/73/09/1036727309.db2.gz ZHAJBKAJCDVBKV-GOSISDBHSA-N 0 3 342.508 4.399 20 30 EIEDHN Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc(N2CCCC2)n1 ZINC000589344413 1036742566 /nfs/dbraw/zinc/74/25/66/1036742566.db2.gz KTHMAJQIYBGSHC-OAQYLSRUSA-N 0 3 346.478 4.029 20 30 EIEDHN COc1cc(CN[C@H](C)c2ccc(-c3cccnc3)cc2)ccc1C#N ZINC000367092456 1036796683 /nfs/dbraw/zinc/79/66/83/1036796683.db2.gz FIICRPNCEWCNOO-MRXNPFEDSA-N 0 3 343.430 4.480 20 30 EIEDHN Cc1nccn1-c1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000183685301 1036930087 /nfs/dbraw/zinc/93/00/87/1036930087.db2.gz IJYQLWCEKIPTBG-CQSZACIVSA-N 0 3 334.398 4.042 20 30 EIEDHN Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)cc1C#N ZINC000599436486 1037013517 /nfs/dbraw/zinc/01/35/17/1037013517.db2.gz GPLFSOVNFYIZOG-NRFANRHFSA-N 0 3 334.463 4.250 20 30 EIEDHN COc1ccccc1[C@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000171402873 1037391651 /nfs/dbraw/zinc/39/16/51/1037391651.db2.gz MJILDGONAGJWDY-HIFRSBDPSA-N 0 3 334.375 4.206 20 30 EIEDHN C=CCCC[C@H](N)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000912082510 1037878273 /nfs/dbraw/zinc/87/82/73/1037878273.db2.gz HBMXPFJVUWYEGT-INIZCTEOSA-N 0 3 334.510 4.022 20 30 EIEDHN COc1cc(CNC2(c3ccc(C#N)cc3)CCC2)ccc1Cl ZINC000594035449 1038256422 /nfs/dbraw/zinc/25/64/22/1038256422.db2.gz NQMACQDJNKGXIU-UHFFFAOYSA-N 0 3 326.827 4.389 20 30 EIEDHN C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594431570 1038332865 /nfs/dbraw/zinc/33/28/65/1038332865.db2.gz NZJPVWKZDBOSRB-IIBYNOLFSA-N 0 3 349.478 4.303 20 30 EIEDHN Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594432657 1038334047 /nfs/dbraw/zinc/33/40/47/1038334047.db2.gz AIRJYBSMBCBGFO-GOSISDBHSA-N 0 3 337.423 4.137 20 30 EIEDHN CC(C)Cc1ccc([C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C)cc1 ZINC000594424891 1038340644 /nfs/dbraw/zinc/34/06/44/1038340644.db2.gz DKZWMDBAWKZUIM-VQTJNVASSA-N 0 3 343.515 4.110 20 30 EIEDHN N#CC[C@@H]1CC[C@H](NCc2oc3ccccc3c2Br)C1 ZINC000594509783 1038356082 /nfs/dbraw/zinc/35/60/82/1038356082.db2.gz YUAPEYRDORMAOW-RYUDHWBXSA-N 0 3 333.229 4.367 20 30 EIEDHN CCOc1cc(CNC2(c3ccc(C#N)cc3)CCC2)ccc1OC ZINC000594520943 1038360549 /nfs/dbraw/zinc/36/05/49/1038360549.db2.gz RTBDAOUWWWFQSS-UHFFFAOYSA-N 0 3 336.435 4.135 20 30 EIEDHN COc1cc2c(cc1OC)[C@@H](NC1(c3ccc(C#N)cc3)CCC1)CC2 ZINC000594520090 1038361669 /nfs/dbraw/zinc/36/16/69/1038361669.db2.gz YRZXBPGNYMILFA-IBGZPJMESA-N 0 3 348.446 4.232 20 30 EIEDHN CCc1cccc2c1OCC[C@H]2NCc1ccc(C2(C#N)CC2)cc1 ZINC000594918544 1038427040 /nfs/dbraw/zinc/42/70/40/1038427040.db2.gz BSIKMGUSOGIFAX-HXUWFJFHSA-N 0 3 332.447 4.418 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](Cc2nccn2C)c2ccccc2)cc1 ZINC000608073926 1038495027 /nfs/dbraw/zinc/49/50/27/1038495027.db2.gz PRAQCPHXANKGSM-NRFANRHFSA-N 0 3 347.462 4.059 20 30 EIEDHN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(C2(C#N)CC2)cc1 ZINC000594941697 1038499572 /nfs/dbraw/zinc/49/95/72/1038499572.db2.gz YZKWNDXGSMXVNF-LJQANCHMSA-N 0 3 336.410 4.167 20 30 EIEDHN CC(C)(NCc1ccc2c(c1)OCCCCO2)c1cccc(C#N)c1 ZINC000594967593 1038557006 /nfs/dbraw/zinc/55/70/06/1038557006.db2.gz FIZLXIICBJYYOB-UHFFFAOYSA-N 0 3 336.435 4.135 20 30 EIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000424199880 1038736004 /nfs/dbraw/zinc/73/60/04/1038736004.db2.gz QMKDDDYITWXOEZ-SWLSCSKDSA-N 0 3 345.240 4.491 20 30 EIEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000424293669 1038772387 /nfs/dbraw/zinc/77/23/87/1038772387.db2.gz JCHPICFYZKHAAZ-DCGLDWPTSA-N 0 3 332.444 4.191 20 30 EIEDHN C=C(C)COCCN[C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000539064010 1038809110 /nfs/dbraw/zinc/80/91/10/1038809110.db2.gz CYDAOTKLGMJDKK-AWEZNQCLSA-N 0 3 333.863 4.077 20 30 EIEDHN C=CCCc1ccccc1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000505004366 1038878616 /nfs/dbraw/zinc/87/86/16/1038878616.db2.gz CIRWRXOWHONDDN-UHFFFAOYSA-N 0 3 329.488 4.143 20 30 EIEDHN Cc1ccc([C@H](CNc2ncc(C#N)cc2Cl)N2CCCC2)cc1 ZINC000608885373 1038955055 /nfs/dbraw/zinc/95/50/55/1038955055.db2.gz LMFYJYYYTIRDLZ-SFHVURJKSA-N 0 3 340.858 4.164 20 30 EIEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000552057180 1039076907 /nfs/dbraw/zinc/07/69/07/1039076907.db2.gz IXVPVMWNZGEYIO-ILWGZMRPSA-N 0 3 337.438 4.118 20 30 EIEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481378608 1039364578 /nfs/dbraw/zinc/36/45/78/1039364578.db2.gz LDLRRYXSZYUIGP-ORAYPTAESA-N 0 3 344.842 4.086 20 30 EIEDHN C=C(C)COc1cc(CN2CCC(OCC(C)C)CC2)ccc1OC ZINC000092223406 1039502062 /nfs/dbraw/zinc/50/20/62/1039502062.db2.gz YGYCBFNSSKNHHP-UHFFFAOYSA-N 0 3 347.499 4.287 20 30 EIEDHN CC(C)(CCC#N)COC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842348624 1039796281 /nfs/dbraw/zinc/79/62/81/1039796281.db2.gz HJAILAQLHISTMW-UHFFFAOYSA-N 0 3 328.456 4.159 20 30 EIEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(OCc2ccccc2)c1 ZINC000434797728 1039867105 /nfs/dbraw/zinc/86/71/05/1039867105.db2.gz ZMVAKABMYROBTF-KRWDZBQOSA-N 0 3 345.446 4.327 20 30 EIEDHN C=C[C@H](CC(=O)Nc1cc(CN(C)C)ccc1OC)c1ccccc1 ZINC000535359962 1040216782 /nfs/dbraw/zinc/21/67/82/1040216782.db2.gz IRRPBVVYLOLHPC-QGZVFWFLSA-N 0 3 338.451 4.055 20 30 EIEDHN N#Cc1ccc(CN2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000514796420 1040237485 /nfs/dbraw/zinc/23/74/85/1040237485.db2.gz PZHCBWBIJOATFU-INIZCTEOSA-N 0 3 345.368 4.352 20 30 EIEDHN C=CCc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)cc(OC)c1O ZINC000425364074 1040335620 /nfs/dbraw/zinc/33/56/20/1040335620.db2.gz DUDAXSUNJYEDRQ-OAHLLOKOSA-N 0 3 336.435 4.194 20 30 EIEDHN CCOCc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000425366160 1040342073 /nfs/dbraw/zinc/34/20/73/1040342073.db2.gz OJOABHNMBAZFQW-MRXNPFEDSA-N 0 3 338.451 4.296 20 30 EIEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccc(F)c2ccccc21 ZINC000515088908 1040473038 /nfs/dbraw/zinc/47/30/38/1040473038.db2.gz CIKIDYUFKWVKHO-OAHLLOKOSA-N 0 3 328.431 4.054 20 30 EIEDHN CC(C)OCc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000539608542 1040605025 /nfs/dbraw/zinc/60/50/25/1040605025.db2.gz QVBWHTVYGQOQOS-OAHLLOKOSA-N 0 3 326.415 4.473 20 30 EIEDHN C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000483291736 1040807859 /nfs/dbraw/zinc/80/78/59/1040807859.db2.gz RMAYHVUVVPGXTJ-FZKQIMNGSA-N 0 3 347.384 4.499 20 30 EIEDHN C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000483291740 1040808721 /nfs/dbraw/zinc/80/87/21/1040808721.db2.gz RMAYHVUVVPGXTJ-UGSOOPFHSA-N 0 3 347.384 4.499 20 30 EIEDHN C=CCc1cc(CN[C@@H]2CCCc3sccc32)cc(OC)c1O ZINC000160988907 1040898514 /nfs/dbraw/zinc/89/85/14/1040898514.db2.gz YVNZNZJABSUBTE-MRXNPFEDSA-N 0 3 329.465 4.358 20 30 EIEDHN C[C@H](NCCOc1ccc(Cl)c(F)c1)c1ccc(C#N)cc1F ZINC000483700869 1040967340 /nfs/dbraw/zinc/96/73/40/1040967340.db2.gz LODYJMORKXBCAO-NSHDSACASA-N 0 3 336.769 4.219 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000436314372 1041082376 /nfs/dbraw/zinc/08/23/76/1041082376.db2.gz NDULMMWYDJRACK-NYVOZVTQSA-N 0 3 348.446 4.488 20 30 EIEDHN N#Cc1cccc(Cl)c1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000462918816 1041097943 /nfs/dbraw/zinc/09/79/43/1041097943.db2.gz GEMICTUBTVUUFG-SFHVURJKSA-N 0 3 325.843 4.461 20 30 EIEDHN COCCSc1ccc([C@H](C)NCC#Cc2ccccc2)cc1 ZINC000484084982 1041121508 /nfs/dbraw/zinc/12/15/08/1041121508.db2.gz TVUSEXLVGSWUBA-KRWDZBQOSA-N 0 3 325.477 4.127 20 30 EIEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000538581476 1041432746 /nfs/dbraw/zinc/43/27/46/1041432746.db2.gz PRIHJMMEHAKOFL-LBPRGKRZSA-N 0 3 334.872 4.021 20 30 EIEDHN C=C(C)COc1cc(CN2CCC(OCCCC)CC2)ccc1OC ZINC000538722226 1041492125 /nfs/dbraw/zinc/49/21/25/1041492125.db2.gz DQBLITKOFQRPPS-UHFFFAOYSA-N 0 3 347.499 4.431 20 30 EIEDHN C=CCCC[C@@H](C)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000540646121 1041585670 /nfs/dbraw/zinc/58/56/70/1041585670.db2.gz CIDYKAXEPVGVDB-CYBMUJFWSA-N 0 3 330.453 4.373 20 30 EIEDHN C=CCNC(=O)CN[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000540778389 1041664422 /nfs/dbraw/zinc/66/44/22/1041664422.db2.gz GJWGADNHVZLFOJ-GFCCVEGCSA-N 0 3 334.872 4.021 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C3CCC3)c2)CC1 ZINC000463840739 1041776829 /nfs/dbraw/zinc/77/68/29/1041776829.db2.gz JEHHGCSQPFHXIU-UHFFFAOYSA-N 0 3 327.472 4.116 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1c[nH]nc1-c1ccsc1 ZINC000517338038 1041963645 /nfs/dbraw/zinc/96/36/45/1041963645.db2.gz BHYWPTFBSVMUJW-GOSISDBHSA-N 0 3 334.448 4.177 20 30 EIEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000464564996 1042065253 /nfs/dbraw/zinc/06/52/53/1042065253.db2.gz ZPSDZDPBECREEL-IAGOWNOFSA-N 0 3 334.529 4.240 20 30 EIEDHN C=CCOc1cccc(CN2CCC(OCc3ccccc3)CC2)c1 ZINC000506310485 1042294913 /nfs/dbraw/zinc/29/49/13/1042294913.db2.gz OPIRXKSLXBLJQL-UHFFFAOYSA-N 0 3 337.463 4.433 20 30 EIEDHN Cc1oc(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C)c(C#N)c1C ZINC000438718637 1042316517 /nfs/dbraw/zinc/31/65/17/1042316517.db2.gz BBPSNTNBOJORHM-SFHVURJKSA-N 0 3 339.439 4.084 20 30 EIEDHN C[C@H](N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271934168 1042535378 /nfs/dbraw/zinc/53/53/78/1042535378.db2.gz METPKSQIOYERSU-KKSFZXQISA-N 0 3 337.442 4.185 20 30 EIEDHN N#Cc1ccc2ncc(CN3[C@@H]4CC[C@H]3C[C@@H](c3ccccc3)C4)n2c1 ZINC000518543693 1042564205 /nfs/dbraw/zinc/56/42/05/1042564205.db2.gz RMMBMEDXMYVSOF-ACDBMABISA-N 0 3 342.446 4.117 20 30 EIEDHN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271960293 1042565301 /nfs/dbraw/zinc/56/53/01/1042565301.db2.gz QYWIYXFIAFHUOT-SYURPWHHSA-N 0 3 346.352 4.156 20 30 EIEDHN Cc1cc(CNCc2cc(Br)ccc2C)ccc1C#N ZINC000444001232 1042743912 /nfs/dbraw/zinc/74/39/12/1042743912.db2.gz XRMKZMAIGUZROU-UHFFFAOYSA-N 0 3 329.241 4.227 20 30 EIEDHN CSCc1cc(F)ccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000152959055 1043033471 /nfs/dbraw/zinc/03/34/71/1043033471.db2.gz XIRKCCHAMSHAHA-CQSZACIVSA-N 0 3 344.455 4.269 20 30 EIEDHN N#CCC1(CN[C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000430739301 1043070593 /nfs/dbraw/zinc/07/05/93/1043070593.db2.gz HQWLXEFRSDZTQB-HNNXBMFYSA-N 0 3 337.236 4.323 20 30 EIEDHN CC(C)OC(=O)C[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000184453209 1043098652 /nfs/dbraw/zinc/09/86/52/1043098652.db2.gz JZXGCKQPJYAPKX-KRWDZBQOSA-N 0 3 342.483 4.041 20 30 EIEDHN C=CCC[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000427645191 1043105132 /nfs/dbraw/zinc/10/51/32/1043105132.db2.gz MHFJYHRHDXTBPV-FDFHNCONSA-N 0 3 348.490 4.298 20 30 EIEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000282462474 1043151173 /nfs/dbraw/zinc/15/11/73/1043151173.db2.gz OPRBMWRLPNEABM-RDTXWAMCSA-N 0 3 345.874 4.280 20 30 EIEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(Br)cc2Cl)C1 ZINC000185804612 1043219830 /nfs/dbraw/zinc/21/98/30/1043219830.db2.gz LUHZILCYKFUUEJ-MFKMUULPSA-N 0 3 327.653 4.274 20 30 EIEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(Br)cc2Cl)C1 ZINC000185804557 1043220454 /nfs/dbraw/zinc/22/04/54/1043220454.db2.gz LUHZILCYKFUUEJ-GXFFZTMASA-N 0 3 327.653 4.274 20 30 EIEDHN N#CCc1ccc(CN2CCC(c3ncccc3Cl)CC2)cc1 ZINC000429210418 1043334797 /nfs/dbraw/zinc/33/47/97/1043334797.db2.gz SOLMPVGAVCPBNC-UHFFFAOYSA-N 0 3 325.843 4.181 20 30 EIEDHN N#Cc1ccc(CN(CCc2cccnc2)Cc2cccc(F)c2)cc1 ZINC000172075288 1043706915 /nfs/dbraw/zinc/70/69/15/1043706915.db2.gz FYDJNNYSLKNEJT-UHFFFAOYSA-N 0 3 345.421 4.337 20 30 EIEDHN CCOc1ccccc1Oc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000442719567 1043821840 /nfs/dbraw/zinc/82/18/40/1043821840.db2.gz QISCUCKPEFRQBE-NVXWUHKLSA-N 0 3 337.423 4.054 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3cnccc3c2)c1 ZINC000785468084 1044151672 /nfs/dbraw/zinc/15/16/72/1044151672.db2.gz HIHHQZIMFSKTAY-FQEVSTJZSA-N 0 3 331.419 4.206 20 30 EIEDHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000245954226 1044217093 /nfs/dbraw/zinc/21/70/93/1044217093.db2.gz LNEJWKGGTOUQTH-OLMNPRSZSA-N 0 3 338.455 4.159 20 30 EIEDHN CSc1ccc([C@@H](CNc2ncc(C#N)cc2Cl)N(C)C)cc1 ZINC000338839289 1044393387 /nfs/dbraw/zinc/39/33/87/1044393387.db2.gz YHAPHFVSLDBRKZ-MRXNPFEDSA-N 0 3 346.887 4.043 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCC2)cc1 ZINC000734079585 1044477502 /nfs/dbraw/zinc/47/75/02/1044477502.db2.gz DIDDGOUZTHRMHD-KBXCAEBGSA-N 0 3 326.440 4.113 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC2CCCC2)cc1 ZINC000734079588 1044478129 /nfs/dbraw/zinc/47/81/29/1044478129.db2.gz DIDDGOUZTHRMHD-RDTXWAMCSA-N 0 3 326.440 4.113 20 30 EIEDHN CC[C@H](C)CN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000533287319 1044539172 /nfs/dbraw/zinc/53/91/72/1044539172.db2.gz XOEQIXXNWIRSOS-AWEZNQCLSA-N 0 3 344.503 4.008 20 30 EIEDHN N#CC(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc2ccccc2n1 ZINC000734964050 1044717381 /nfs/dbraw/zinc/71/73/81/1044717381.db2.gz ROXNWLGAHONIQE-KKUMJFAQSA-N 0 3 348.352 4.493 20 30 EIEDHN Cc1cc(C(F)(F)F)c(C#N)c(SCCN2CCC(C)CC2)n1 ZINC000465471290 1044725900 /nfs/dbraw/zinc/72/59/00/1044725900.db2.gz IBKMJDTYUZNIMY-UHFFFAOYSA-N 0 3 343.418 4.105 20 30 EIEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1csc(-c2ccccn2)n1 ZINC000922600134 1044837085 /nfs/dbraw/zinc/83/70/85/1044837085.db2.gz NVELZGVWZZBFDV-UHFFFAOYSA-N 0 3 348.475 4.188 20 30 EIEDHN CCN(Cc1cnc2c(cnn2C(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000154900085 1044846892 /nfs/dbraw/zinc/84/68/92/1044846892.db2.gz AMPGUOAKBAWLNL-INIZCTEOSA-N 0 3 347.466 4.467 20 30 EIEDHN N#CC(C(=O)C1=Cc2cc(F)ccc2OC1)c1ccc2ccccc2n1 ZINC000762019528 1044864177 /nfs/dbraw/zinc/86/41/77/1044864177.db2.gz VWCOHNRXXBANRK-KRWDZBQOSA-N 0 3 344.345 4.026 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3c[nH]c4cccc(C)c34)nc21 ZINC000735787281 1044864402 /nfs/dbraw/zinc/86/44/02/1044864402.db2.gz ADMQWYWZSAKOTE-HNNXBMFYSA-N 0 3 342.402 4.080 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc(OC(C)C)c3)nc21 ZINC000735793475 1044867525 /nfs/dbraw/zinc/86/75/25/1044867525.db2.gz TVXLAIOITVFFAU-KRWDZBQOSA-N 0 3 347.418 4.078 20 30 EIEDHN COc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)c(C)c1OC ZINC000922966753 1044879026 /nfs/dbraw/zinc/87/90/26/1044879026.db2.gz WWABSJWTSXQPFJ-UHFFFAOYSA-N 0 3 338.451 4.103 20 30 EIEDHN Cc1ccc(C)c(CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000429289299 1044898518 /nfs/dbraw/zinc/89/85/18/1044898518.db2.gz BYZWEKKDUQYAAO-UHFFFAOYSA-N 0 3 344.462 4.208 20 30 EIEDHN CC(C)C[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000542555427 1044965807 /nfs/dbraw/zinc/96/58/07/1044965807.db2.gz RWWOUTDGYIPZEH-RHSMWYFYSA-N 0 3 341.480 4.324 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2c(cccc2F)s1 ZINC000915100701 1045089622 /nfs/dbraw/zinc/08/96/22/1045089622.db2.gz YXSYKIKBKCLOKQ-LBPRGKRZSA-N 0 3 349.390 4.417 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)c2cccc(Cl)c2)c([O-])c1 ZINC000915115057 1045113648 /nfs/dbraw/zinc/11/36/48/1045113648.db2.gz UOGZLJQNVACBKK-VFAFIFLJSA-N 0 3 346.858 4.044 20 30 EIEDHN N#Cc1ccc(-c2cccc(CNCc3cnn4ccccc34)c2)s1 ZINC000740010731 1045175628 /nfs/dbraw/zinc/17/56/28/1045175628.db2.gz GFNJWYKBTZSWFU-UHFFFAOYSA-N 0 3 344.443 4.224 20 30 EIEDHN C=C(C)COc1cc(CNCc2ccc(F)c(C)c2)ccc1OC ZINC000237226907 1045379019 /nfs/dbraw/zinc/37/90/19/1045379019.db2.gz YVRMABQUBBPVFZ-UHFFFAOYSA-N 0 3 329.415 4.387 20 30 EIEDHN Cc1cccc(NC(=O)C[C@@H](C)NC2(c3cccc(C#N)c3)CC2)c1C ZINC000272337974 1045417050 /nfs/dbraw/zinc/41/70/50/1045417050.db2.gz ZGQTUKLLWVLXLK-MRXNPFEDSA-N 0 3 347.462 4.171 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN(C)CCOc2ccc(Cl)cc2)cc1 ZINC000768173771 1045738109 /nfs/dbraw/zinc/73/81/09/1045738109.db2.gz DWNBCZXPDMRPJL-OAHLLOKOSA-N 0 3 344.842 4.142 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(Oc3cccnc3)cc2)n1 ZINC000068335909 1045751103 /nfs/dbraw/zinc/75/11/03/1045751103.db2.gz CVPWUEHFDXCNIT-MRXNPFEDSA-N 0 3 335.388 4.129 20 30 EIEDHN C=CCOc1ccccc1CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000768227774 1045756398 /nfs/dbraw/zinc/75/63/98/1045756398.db2.gz ILSPBMVJHZQDAZ-JOCHJYFZSA-N 0 3 337.463 4.197 20 30 EIEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(Br)c(F)c1 ZINC000768507373 1045813447 /nfs/dbraw/zinc/81/34/47/1045813447.db2.gz GVWPDCKARKQBCV-NSHDSACASA-N 0 3 333.204 4.311 20 30 EIEDHN C#CCCOc1ccc(CN(C)[C@H]2CCCc3nc(C)sc32)cc1 ZINC000769403981 1045952136 /nfs/dbraw/zinc/95/21/36/1045952136.db2.gz MEIQURIOFAEXDP-IBGZPJMESA-N 0 3 340.492 4.363 20 30 EIEDHN CN(Cc1ccc(N(C)CCC#N)cc1)Cc1ccc(Cl)c(F)c1 ZINC000769530366 1046009471 /nfs/dbraw/zinc/00/94/71/1046009471.db2.gz LMEQKFHOAIFCTD-UHFFFAOYSA-N 0 3 345.849 4.461 20 30 EIEDHN CC(=O)[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC001170359381 1046013812 /nfs/dbraw/zinc/01/38/12/1046013812.db2.gz UJZDUQAKIMKLDI-ATKRNPRHSA-N 0 3 332.447 4.310 20 30 EIEDHN CC(C)(C)OC(=O)N1CCc2cccc(CNCC(C)(C)CC#N)c21 ZINC000496743434 1046041536 /nfs/dbraw/zinc/04/15/36/1046041536.db2.gz UOTXMWLZMGWLNF-UHFFFAOYSA-N 0 3 343.471 4.014 20 30 EIEDHN CCC[C@@H](NC[C@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168510147 1046044344 /nfs/dbraw/zinc/04/43/44/1046044344.db2.gz SRPSUICABSOPSK-MOPGFXCFSA-N 0 3 330.378 4.001 20 30 EIEDHN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)s1 ZINC000121941057 1046082755 /nfs/dbraw/zinc/08/27/55/1046082755.db2.gz QCKFSVXHEJLDFX-UHFFFAOYSA-N 0 3 336.464 4.074 20 30 EIEDHN Cc1cc(CN2CCC[C@H]2CC(=O)c2ccc(F)cc2)ccc1C#N ZINC000488135372 1046105106 /nfs/dbraw/zinc/10/51/06/1046105106.db2.gz FZSALKUBSZZXFE-FQEVSTJZSA-N 0 3 336.410 4.243 20 30 EIEDHN Cc1cc(CN[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)ccc1C#N ZINC000488142654 1046115371 /nfs/dbraw/zinc/11/53/71/1046115371.db2.gz CIZPWYOXLHBMEW-OAHLLOKOSA-N 0 3 348.450 4.001 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cccc(-c3ccccn3)c2C)n1 ZINC000162346892 1046181435 /nfs/dbraw/zinc/18/14/35/1046181435.db2.gz JXGULHADJHVSTC-MRXNPFEDSA-N 0 3 333.416 4.312 20 30 EIEDHN COc1cc([C@@H](C)NCc2ccc(C#N)cc2)ccc1OC(F)F ZINC000916833659 1046377224 /nfs/dbraw/zinc/37/72/24/1046377224.db2.gz VIEHBGAXQOBCFZ-GFCCVEGCSA-N 0 3 332.350 4.019 20 30 EIEDHN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000916882448 1046421198 /nfs/dbraw/zinc/42/11/98/1046421198.db2.gz FGHBZYMHCXWYLL-XHSDSOJGSA-N 0 3 344.842 4.226 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC2CCCCC2)c1 ZINC000916896591 1046426289 /nfs/dbraw/zinc/42/62/89/1046426289.db2.gz LQGMSVUPDAIRAI-GOSISDBHSA-N 0 3 326.440 4.393 20 30 EIEDHN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1(C)C ZINC000916910685 1046455745 /nfs/dbraw/zinc/45/57/45/1046455745.db2.gz SGGGGOSIXXNGON-WOSRLPQWSA-N 0 3 344.842 4.226 20 30 EIEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000916907115 1046457136 /nfs/dbraw/zinc/45/71/36/1046457136.db2.gz UQEOLYOQIQSZLD-HIFRSBDPSA-N 0 3 340.810 4.181 20 30 EIEDHN N#C[C@H]1CCC[C@H]1NCCCCOc1ccccc1C(F)(F)F ZINC000459456613 1046690195 /nfs/dbraw/zinc/69/01/95/1046690195.db2.gz CDSJINICXSBTSO-UKRRQHHQSA-N 0 3 326.362 4.146 20 30 EIEDHN N#C[C@@H]1CCC[C@@H]1NCCCCOc1cccc(C(F)(F)F)c1 ZINC000459456582 1046691759 /nfs/dbraw/zinc/69/17/59/1046691759.db2.gz CBXCJWLXUDJSCN-BBRMVZONSA-N 0 3 326.362 4.146 20 30 EIEDHN N#C[C@H]1CCC[C@H]1NCCCCOc1cccc(C(F)(F)F)c1 ZINC000459456585 1046691831 /nfs/dbraw/zinc/69/18/31/1046691831.db2.gz CBXCJWLXUDJSCN-CZUORRHYSA-N 0 3 326.362 4.146 20 30 EIEDHN CC1(C)CCc2cc(CN[C@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000785617111 1046727842 /nfs/dbraw/zinc/72/78/42/1046727842.db2.gz KOWJCQPHRXPSIA-FQEVSTJZSA-N 0 3 332.447 4.439 20 30 EIEDHN N#CCc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)cc1 ZINC000459528391 1046754821 /nfs/dbraw/zinc/75/48/21/1046754821.db2.gz CAMKBPIQPOCELN-NRFANRHFSA-N 0 3 334.463 4.136 20 30 EIEDHN Cc1ccc(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)cc1C ZINC000917172123 1046803767 /nfs/dbraw/zinc/80/37/67/1046803767.db2.gz XXKIPEOIZBSEQI-MRXNPFEDSA-N 0 3 349.459 4.226 20 30 EIEDHN Cc1ccc(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)c(C)c1 ZINC000917205415 1046807162 /nfs/dbraw/zinc/80/71/62/1046807162.db2.gz GFCQLEJGYHBFTP-OAHLLOKOSA-N 0 3 349.459 4.226 20 30 EIEDHN N#CC1(c2ccccc2)CCC(NCc2ccn(C3CCCC3)n2)CC1 ZINC000536847183 1046819737 /nfs/dbraw/zinc/81/97/37/1046819737.db2.gz RWHYXAWDUHYIEJ-UHFFFAOYSA-N 0 3 348.494 4.492 20 30 EIEDHN CCOc1ccc([C@@H]2CCCN2CCOc2ccccc2C#N)cc1 ZINC000497605351 1046888196 /nfs/dbraw/zinc/88/81/96/1046888196.db2.gz GBJPGZXUNNRBNR-FQEVSTJZSA-N 0 3 336.435 4.173 20 30 EIEDHN Cc1ccc2[nH]c([C@H]3CCCN(CC#Cc4ccc(F)cc4)C3)nc2c1 ZINC000537017608 1046889553 /nfs/dbraw/zinc/88/95/53/1046889553.db2.gz HDAAMOKYWAWMFE-SFHVURJKSA-N 0 3 347.437 4.242 20 30 EIEDHN Cc1ccc2nc([C@H]3CCCN(CC#Cc4ccc(F)cc4)C3)[nH]c2c1 ZINC000537017608 1046889558 /nfs/dbraw/zinc/88/95/58/1046889558.db2.gz HDAAMOKYWAWMFE-SFHVURJKSA-N 0 3 347.437 4.242 20 30 EIEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000537104436 1046933233 /nfs/dbraw/zinc/93/32/33/1046933233.db2.gz ZMUGLDJMYKJMER-CQSZACIVSA-N 0 3 341.842 4.118 20 30 EIEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000537114756 1046965710 /nfs/dbraw/zinc/96/57/10/1046965710.db2.gz GSFDLTJVANEJMA-LSDHHAIUSA-N 0 3 342.870 4.348 20 30 EIEDHN C[C@H](NCc1ccc(OCc2ccccn2)cc1)c1cccc(C#N)c1 ZINC000537295008 1047075193 /nfs/dbraw/zinc/07/51/93/1047075193.db2.gz FVWFUAAJCTUDSY-KRWDZBQOSA-N 0 3 343.430 4.383 20 30 EIEDHN N#Cc1ccc(CNc2ccc(F)c(CN3CCCC3)c2)cc1F ZINC001170096471 1047360034 /nfs/dbraw/zinc/36/00/34/1047360034.db2.gz VIAZCOUPODQYQA-UHFFFAOYSA-N 0 3 327.378 4.044 20 30 EIEDHN CCOc1ccc(O)c(/C=N/C[C@@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000746815815 1047427045 /nfs/dbraw/zinc/42/70/45/1047427045.db2.gz NMELCKOCKGZWGH-IUOVYFEOSA-N 0 3 346.858 4.166 20 30 EIEDHN C=C[C@H](CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000533912700 1047482687 /nfs/dbraw/zinc/48/26/87/1047482687.db2.gz VQNFMTITGKHAQI-IFMALSPDSA-N 0 3 348.490 4.127 20 30 EIEDHN COc1ccccc1[C@@H]1CCCCN1CCOc1cccc(C#N)c1 ZINC000609280774 1047492864 /nfs/dbraw/zinc/49/28/64/1047492864.db2.gz OTHKGRUPXTVADQ-FQEVSTJZSA-N 0 3 336.435 4.173 20 30 EIEDHN C=C(C)COc1cc(CN[C@@H](c2ccncc2)C2CC2)ccc1OC ZINC000898323992 1047613735 /nfs/dbraw/zinc/61/37/35/1047613735.db2.gz AWRNDYPSBRZHHX-OAQYLSRUSA-N 0 3 338.451 4.286 20 30 EIEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C1CCCCC1 ZINC000108355654 1047796748 /nfs/dbraw/zinc/79/67/48/1047796748.db2.gz HNEZDRROYZCHBK-HNNXBMFYSA-N 0 3 345.512 4.141 20 30 EIEDHN C=CCC[C@H](NCCOc1ncccc1C(F)(F)F)c1ccco1 ZINC000556886693 1048104654 /nfs/dbraw/zinc/10/46/54/1048104654.db2.gz NWQKBMZTJGFLPG-AWEZNQCLSA-N 0 3 340.345 4.369 20 30 EIEDHN Cc1ccc(N(CCC#N)C(=O)CNC(C)(C)c2ccccc2)cc1C ZINC000747529478 1048119514 /nfs/dbraw/zinc/11/95/14/1048119514.db2.gz NJTLNOSEBSUTDT-UHFFFAOYSA-N 0 3 349.478 4.075 20 30 EIEDHN C[C@H](NCc1cccc(OCC#N)c1)c1cccc(C(F)(F)F)c1 ZINC000124806553 1048161391 /nfs/dbraw/zinc/16/13/91/1048161391.db2.gz FLLGNMOVLLJBSB-ZDUSSCGKSA-N 0 3 334.341 4.459 20 30 EIEDHN C=CCOc1cccc(CN[C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000556910045 1048187573 /nfs/dbraw/zinc/18/75/73/1048187573.db2.gz SLWKXANEXSMIFG-OAQYLSRUSA-N 0 3 337.463 4.245 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCSC(C)(C)C)cc1 ZINC000155130198 1048300837 /nfs/dbraw/zinc/30/08/37/1048300837.db2.gz DLSMPUATUPUNNL-MRXNPFEDSA-N 0 3 346.496 4.208 20 30 EIEDHN C=CCc1cc(OCC)cc(CN2CCC[C@H](C(F)(F)F)C2)c1O ZINC000919935368 1048316134 /nfs/dbraw/zinc/31/61/34/1048316134.db2.gz DUXWBJKLCAQGMW-HNNXBMFYSA-N 0 3 343.389 4.294 20 30 EIEDHN CC#CCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000499218032 1048427108 /nfs/dbraw/zinc/42/71/08/1048427108.db2.gz XEXNZLQLYRUEHO-UHFFFAOYSA-N 0 3 328.343 4.029 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128841 1048638152 /nfs/dbraw/zinc/63/81/52/1048638152.db2.gz KDNLHFDEOXYZFH-SJORKVTESA-N 0 3 347.462 4.487 20 30 EIEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(N2CCCC2=O)cc1 ZINC000810212743 1048682565 /nfs/dbraw/zinc/68/25/65/1048682565.db2.gz WXHJQICGWLONPF-YCRPNKLZSA-N 0 3 345.446 4.023 20 30 EIEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccc2c(c1)CCCO2 ZINC000810250478 1048729927 /nfs/dbraw/zinc/72/99/27/1048729927.db2.gz MSRWIYJFDMQJSO-LJQANCHMSA-N 0 3 336.435 4.133 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC(C#N)(c2ccccc2)CC1 ZINC001171203058 1048779076 /nfs/dbraw/zinc/77/90/76/1048779076.db2.gz IJCMWDKDQUHXCA-SFHVURJKSA-N 0 3 329.447 4.047 20 30 EIEDHN N#CC1(CNC2CC(c3ccc(Br)cc3)C2)CCCC1 ZINC000846009987 1048785895 /nfs/dbraw/zinc/78/58/95/1048785895.db2.gz GPPISGZZTWCSIP-UHFFFAOYSA-N 0 3 333.273 4.369 20 30 EIEDHN CN(Cc1ccc(C(C)(C)C)s1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846007088 1048786492 /nfs/dbraw/zinc/78/64/92/1048786492.db2.gz MXMVPZLAUSHLLE-QGZVFWFLSA-N 0 3 328.481 4.083 20 30 EIEDHN CCOc1ccc(/C=N/C[C@H](c2cccs2)N2CCCC2)c(O)c1 ZINC000920944386 1048818120 /nfs/dbraw/zinc/81/81/20/1048818120.db2.gz WIMNQQNETITQFL-UOBPLZBXSA-N 0 3 344.480 4.108 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817412013 1048963244 /nfs/dbraw/zinc/96/32/44/1048963244.db2.gz BDDVNEYUHYWQNY-HIFRSBDPSA-N 0 3 326.362 4.142 20 30 EIEDHN CCN(Cc1cc(C#N)ccc1F)[C@H](C)Cc1ccc(OC)cc1 ZINC000609432244 1049061778 /nfs/dbraw/zinc/06/17/78/1049061778.db2.gz WYKBVWPQVCPKTF-OAHLLOKOSA-N 0 3 326.415 4.159 20 30 EIEDHN CN(C)c1ccc(CN(C)Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000811452648 1049069505 /nfs/dbraw/zinc/06/95/05/1049069505.db2.gz CLCSEAGQQUKPQX-UHFFFAOYSA-N 0 3 347.384 4.275 20 30 EIEDHN Cc1ccc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1[N+](=O)[O-] ZINC000175056193 1049073695 /nfs/dbraw/zinc/07/36/95/1049073695.db2.gz VLWVPBVPMFNDHR-LSDHHAIUSA-N 0 3 339.395 4.045 20 30 EIEDHN COc1ccc([C@H](C)CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000175122185 1049110104 /nfs/dbraw/zinc/11/01/04/1049110104.db2.gz VQEDFKKJJWIGFT-CJNGLKHVSA-N 0 3 334.375 4.206 20 30 EIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)c1nc2cc(F)ccc2s1 ZINC000609627569 1049214594 /nfs/dbraw/zinc/21/45/94/1049214594.db2.gz NCMBTMPIXGRQDS-LBPRGKRZSA-N 0 3 345.786 4.335 20 30 EIEDHN C#CCOc1ccccc1CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000772986703 1049266033 /nfs/dbraw/zinc/26/60/33/1049266033.db2.gz CWKZRLMJROKKTM-KRWDZBQOSA-N 0 3 345.446 4.044 20 30 EIEDHN CC(=NNc1ccccc1F)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000812459611 1049481651 /nfs/dbraw/zinc/48/16/51/1049481651.db2.gz CRPOPRHNNMWVDS-UHFFFAOYSA-N 0 3 341.430 4.353 20 30 EIEDHN C#CC[C@@H](N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000773104895 1049583446 /nfs/dbraw/zinc/58/34/46/1049583446.db2.gz GQVLRLJFDTWMFY-DNVCBOLYSA-N 0 3 332.447 4.332 20 30 EIEDHN C#CC[C@H](N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000773104900 1049584487 /nfs/dbraw/zinc/58/44/87/1049584487.db2.gz GQVLRLJFDTWMFY-KXBFYZLASA-N 0 3 332.447 4.332 20 30 EIEDHN CC[C@@H](OC1CCCC1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215020 1049709170 /nfs/dbraw/zinc/70/91/70/1049709170.db2.gz HGPSBLDCEXYBMO-UKRRQHHQSA-N 0 3 340.345 4.014 20 30 EIEDHN CC[C@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171590918 1049752317 /nfs/dbraw/zinc/75/23/17/1049752317.db2.gz SGKGCLJIQCWPMZ-BZUAXINKSA-N 0 3 337.508 4.082 20 30 EIEDHN C=C[C@@H](CC(=O)N(CCN(C)C)C1CCCCC1)c1ccccc1 ZINC001136627196 1049799187 /nfs/dbraw/zinc/79/91/87/1049799187.db2.gz ZYRACNIIMILISQ-SFHVURJKSA-N 0 3 328.500 4.069 20 30 EIEDHN CC[C@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172051070 1049842832 /nfs/dbraw/zinc/84/28/32/1049842832.db2.gz DYPPQQSLOLNEHW-SJORKVTESA-N 0 3 349.519 4.371 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1c(F)cccc1Br ZINC001172305694 1049873982 /nfs/dbraw/zinc/87/39/82/1049873982.db2.gz UGQUINILJGTVRR-GFCCVEGCSA-N 0 3 347.231 4.181 20 30 EIEDHN Cc1cc(CN(Cc2ccccc2)[C@H](C)Cc2ccc(C#N)cc2)on1 ZINC001172311701 1049875505 /nfs/dbraw/zinc/87/55/05/1049875505.db2.gz WELULNZQBWBFLK-GOSISDBHSA-N 0 3 345.446 4.488 20 30 EIEDHN CC(C)COCC[C@@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172481394 1049910018 /nfs/dbraw/zinc/91/00/18/1049910018.db2.gz RUAPOGKTOAPAGE-QGZVFWFLSA-N 0 3 332.463 4.134 20 30 EIEDHN N#Cc1ccc(CN[C@@H](CN2CCCCC2)c2ccccc2)cc1F ZINC000616773395 1049917539 /nfs/dbraw/zinc/91/75/39/1049917539.db2.gz NYQMNJJRBGZXHX-NRFANRHFSA-N 0 3 337.442 4.014 20 30 EIEDHN CCC[C@H]1CN(c2cccc(F)c2C#N)CCN1Cc1ccccc1 ZINC001185930987 1050197116 /nfs/dbraw/zinc/19/71/16/1050197116.db2.gz PWAIETSBHZGTOL-SFHVURJKSA-N 0 3 337.442 4.188 20 30 EIEDHN C=CCSCCNCc1nc2ccc(Br)cc2s1 ZINC000774995842 1050274412 /nfs/dbraw/zinc/27/44/12/1050274412.db2.gz YTSXRICADIVDGK-UHFFFAOYSA-N 0 3 343.315 4.068 20 30 EIEDHN C=CCC[C@H](NCc1cc2c(cc1OC)OCO2)c1ccccc1 ZINC001178249704 1050411355 /nfs/dbraw/zinc/41/13/55/1050411355.db2.gz RYNHQWWTSFVZQJ-KRWDZBQOSA-N 0 3 325.408 4.221 20 30 EIEDHN COc1cccc(-c2nc(CNC3CCC(C)(C#N)CC3)cs2)c1 ZINC001173591987 1050497235 /nfs/dbraw/zinc/49/72/35/1050497235.db2.gz BEZZBKHPRLKJBZ-UHFFFAOYSA-N 0 3 341.480 4.381 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(OC(F)F)c(F)c1 ZINC000618742668 1050501963 /nfs/dbraw/zinc/50/19/63/1050501963.db2.gz OTNBTASTFUGQLW-INIZCTEOSA-N 0 3 332.325 4.076 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(Br)c1 ZINC000618743084 1050504413 /nfs/dbraw/zinc/50/44/13/1050504413.db2.gz WDKOWXKVYYQJDC-KRWDZBQOSA-N 0 3 327.225 4.098 20 30 EIEDHN CN(C)Cc1ccccc1Nc1cccc(Br)c1C#N ZINC001173932669 1050653065 /nfs/dbraw/zinc/65/30/65/1050653065.db2.gz VVROCEWCQNDVGI-UHFFFAOYSA-N 0 3 330.229 4.126 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@@H](c3nccn3C)C2)cc1Cl ZINC000446854928 1050753324 /nfs/dbraw/zinc/75/33/24/1050753324.db2.gz DOSWSVXAYJWWTG-MRXNPFEDSA-N 0 3 345.874 4.018 20 30 EIEDHN CN1Cc2ccccc2[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508615 1050797874 /nfs/dbraw/zinc/79/78/74/1050797874.db2.gz PGPWIOOSJWHAQR-FCHUYYIVSA-N 0 3 331.463 4.102 20 30 EIEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000619754886 1050885178 /nfs/dbraw/zinc/88/51/78/1050885178.db2.gz NXJWHUAXHUJJLN-AWEZNQCLSA-N 0 3 336.826 4.248 20 30 EIEDHN N#CCCCOc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748428 1050894014 /nfs/dbraw/zinc/89/40/14/1050894014.db2.gz DWSNUQBIYVDICI-UHFFFAOYSA-N 0 3 339.826 4.184 20 30 EIEDHN CCN1CCN(c2ccc(Nc3ccc(Cl)c(C#N)c3)cc2)CC1 ZINC001174403266 1050931867 /nfs/dbraw/zinc/93/18/67/1050931867.db2.gz IMKVERJFHLSDFB-UHFFFAOYSA-N 0 3 340.858 4.097 20 30 EIEDHN CC[C@H](CN1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1 ZINC001180271118 1050940659 /nfs/dbraw/zinc/94/06/59/1050940659.db2.gz CUTRZYGHFQVYEW-QGZVFWFLSA-N 0 3 337.442 4.013 20 30 EIEDHN C=CCO[C@@H]1CCN(Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001180317477 1050950940 /nfs/dbraw/zinc/95/09/40/1050950940.db2.gz GNWGAHVFBDLCTH-HXUWFJFHSA-N 0 3 327.399 4.395 20 30 EIEDHN CCCCN(CCOc1ccccc1C#N)Cc1ccccc1F ZINC001190752509 1051272852 /nfs/dbraw/zinc/27/28/52/1051272852.db2.gz KWUOXKLLQHLEGH-UHFFFAOYSA-N 0 3 326.415 4.378 20 30 EIEDHN CC(C)n1cccc1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000154416940 1051298615 /nfs/dbraw/zinc/29/86/15/1051298615.db2.gz SIZCYSSJNXPJKW-CQSZACIVSA-N 0 3 336.420 4.078 20 30 EIEDHN COC(=O)c1cccc(CN2CCCCC[C@H]2CC(C)C)c1C#N ZINC001191113609 1051356182 /nfs/dbraw/zinc/35/61/82/1051356182.db2.gz ZJLPZSVBUXXEFZ-KRWDZBQOSA-N 0 3 328.456 4.136 20 30 EIEDHN CC(C)C1CCC(N2CCN(Cc3cccc(C#N)c3F)CC2)CC1 ZINC001191435529 1051457566 /nfs/dbraw/zinc/45/75/66/1051457566.db2.gz FPDCTZRKNDQRQW-UHFFFAOYSA-N 0 3 343.490 4.030 20 30 EIEDHN C#Cc1ccc(NC(=O)CCN[C@H](C)c2ccc(Cl)c(F)c2)cc1 ZINC001192831739 1051815498 /nfs/dbraw/zinc/81/54/98/1051815498.db2.gz DSZDXYHSEPPGLV-CYBMUJFWSA-N 0 3 344.817 4.140 20 30 EIEDHN CC(C)P(CCNC(=O)C1(c2ccccc2C#N)CC1)C(C)C ZINC001183297016 1051821676 /nfs/dbraw/zinc/82/16/76/1051821676.db2.gz UFSQPUKTJYADHB-UHFFFAOYSA-N 0 3 330.412 4.005 20 30 EIEDHN Cc1oc(NC(=O)CN(CC(C)(C)C)CC(C)(C)C)c(C#N)c1C ZINC001192975979 1051848613 /nfs/dbraw/zinc/84/86/13/1051848613.db2.gz JOSUEMLZBYBTDS-UHFFFAOYSA-N 0 3 333.476 4.101 20 30 EIEDHN C#C[C@](C)(CC)NCc1cccc(OCc2ccc(F)cc2F)c1 ZINC001194504884 1052162375 /nfs/dbraw/zinc/16/23/75/1052162375.db2.gz GNMWLIIOHVESTC-HXUWFJFHSA-N 0 3 329.390 4.435 20 30 EIEDHN Cc1ccc([C@@H](C)NCC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1 ZINC000774831608 1052181196 /nfs/dbraw/zinc/18/11/96/1052181196.db2.gz LXBUISBFOHZNAC-LJQANCHMSA-N 0 3 349.478 4.209 20 30 EIEDHN Cc1c(Cl)cccc1N1CCN(CCCCC(C)(C)C#N)CC1 ZINC001176842846 1052198320 /nfs/dbraw/zinc/19/83/20/1052198320.db2.gz YUGRRYFGCFNBNO-UHFFFAOYSA-N 0 3 333.907 4.491 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@@H](C4CCCC4)C3)o2)c1 ZINC001176939502 1052206831 /nfs/dbraw/zinc/20/68/31/1052206831.db2.gz KCGKRHNAOBDSLX-GOSISDBHSA-N 0 3 336.439 4.010 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2c[nH]nc2-c2ccccc2)c1 ZINC000073012564 1052673036 /nfs/dbraw/zinc/67/30/36/1052673036.db2.gz PGXHVRTYBFSGPX-LJQANCHMSA-N 0 3 346.434 4.047 20 30 EIEDHN C=CCC[C@@H](NCC(=O)N[C@H](C)c1cccs1)c1ccccc1 ZINC000180047590 1052776465 /nfs/dbraw/zinc/77/64/65/1052776465.db2.gz MBUIEJSIDPDNHV-NVXWUHKLSA-N 0 3 328.481 4.222 20 30 EIEDHN Cc1ccc([C@H](C)NCC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000182332711 1052927274 /nfs/dbraw/zinc/92/72/74/1052927274.db2.gz UBDVLCPRSWPHJP-IBGZPJMESA-N 0 3 349.478 4.209 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC(C)(C)c2ccccc2)c1 ZINC000119593012 1053067787 /nfs/dbraw/zinc/06/77/87/1053067787.db2.gz QSJVATPSTIZXEQ-GOSISDBHSA-N 0 3 334.419 4.010 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc3c(cccc3C)[nH]2)c1 ZINC000850137191 1053077970 /nfs/dbraw/zinc/07/79/70/1053077970.db2.gz LTTCICOOHVGRMO-GOSISDBHSA-N 0 3 333.435 4.447 20 30 EIEDHN CCOCc1cc(CNC(C)(C)c2cccc(C#N)c2)ccc1OC ZINC000850357141 1053129184 /nfs/dbraw/zinc/12/91/84/1053129184.db2.gz ZBNGHEGCMZLGBQ-UHFFFAOYSA-N 0 3 338.451 4.128 20 30 EIEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000850468361 1053245570 /nfs/dbraw/zinc/24/55/70/1053245570.db2.gz ZJFXVUSGURGVER-CYBMUJFWSA-N 0 3 326.827 4.387 20 30 EIEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@]3(CCSC3)C2)cc1 ZINC001195094587 1053272459 /nfs/dbraw/zinc/27/24/59/1053272459.db2.gz STIYKXWLHVOEHY-KRWDZBQOSA-N 0 3 339.426 4.276 20 30 EIEDHN C=CCCCN1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001195111963 1053274133 /nfs/dbraw/zinc/27/41/33/1053274133.db2.gz GAKZFDUNDVZDQB-FUHWJXTLSA-N 0 3 348.462 4.084 20 30 EIEDHN N#CC(C(=O)CC[C@@H]1CC1(Cl)Cl)c1ccc2ccccc2n1 ZINC000850741088 1053345020 /nfs/dbraw/zinc/34/50/20/1053345020.db2.gz DJCNDWYBMHPHHH-OLZOCXBDSA-N 0 3 333.218 4.385 20 30 EIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(Br)cc2)cc1 ZINC000765402898 1053533798 /nfs/dbraw/zinc/53/37/98/1053533798.db2.gz YFAAYYWIYHIXTJ-AWEZNQCLSA-N 0 3 344.252 4.312 20 30 EIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc2sc(C)c(C)c2c(N)n1 ZINC001196056210 1053563573 /nfs/dbraw/zinc/56/35/73/1053563573.db2.gz KUDGSCPPGUUJRO-KBPBESRZSA-N 0 3 330.501 4.115 20 30 EIEDHN N#CCCCOc1cccc(CNCc2cnc3ccccc3c2)c1 ZINC000338949331 1053597921 /nfs/dbraw/zinc/59/79/21/1053597921.db2.gz CARRHASQBDGRBN-UHFFFAOYSA-N 0 3 331.419 4.207 20 30 EIEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1cc2cnccc2o1 ZINC000865852145 1053610649 /nfs/dbraw/zinc/61/06/49/1053610649.db2.gz NSWHLTFIYPGXOF-OAHLLOKOSA-N 0 3 334.423 4.028 20 30 EIEDHN CC[C@H](c1ccccc1)N(CC(=O)NCc1cccc(C#N)c1)C(C)C ZINC001196375238 1053650255 /nfs/dbraw/zinc/65/02/55/1053650255.db2.gz LKOGCLVCVGCTAA-OAQYLSRUSA-N 0 3 349.478 4.036 20 30 EIEDHN N#CC1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000173267578 1053844472 /nfs/dbraw/zinc/84/44/72/1053844472.db2.gz XEHWWUFKELMTGS-UHFFFAOYSA-N 0 3 349.434 4.043 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(C)c(F)c2)ccc1OC ZINC000113348026 1053924542 /nfs/dbraw/zinc/92/45/42/1053924542.db2.gz XNIDGRHHSXVIAJ-QGZVFWFLSA-N 0 3 342.414 4.114 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(F)c(C)c2)ccc1OC ZINC000113348229 1053927009 /nfs/dbraw/zinc/92/70/09/1053927009.db2.gz KLNHIBANULPQCB-KRWDZBQOSA-N 0 3 342.414 4.114 20 30 EIEDHN CC#CCN1CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001197587688 1053949069 /nfs/dbraw/zinc/94/90/69/1053949069.db2.gz DDQXAZYESCCPLU-HKUYNNGSSA-N 0 3 348.531 4.195 20 30 EIEDHN Cc1cc(Br)cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000775913041 1054281587 /nfs/dbraw/zinc/28/15/87/1054281587.db2.gz GSEQZVCKNAVHTK-GFCCVEGCSA-N 0 3 345.240 4.186 20 30 EIEDHN C=C(CC)C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC001137057055 1054387214 /nfs/dbraw/zinc/38/72/14/1054387214.db2.gz PBUXKDZPXDBHIK-UHFFFAOYSA-N 0 3 336.479 4.113 20 30 EIEDHN C#CCCOc1ccc(CN2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000124604289 1054586561 /nfs/dbraw/zinc/58/65/61/1054586561.db2.gz MOQCFZZPNAFKJF-HSZRJFAPSA-N 0 3 349.474 4.034 20 30 EIEDHN CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CCCC1 ZINC000108359504 1054775128 /nfs/dbraw/zinc/77/51/28/1054775128.db2.gz BBSQXOWGERZCHV-OAHLLOKOSA-N 0 3 345.512 4.141 20 30 EIEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21)C(F)(F)F ZINC000860470119 1054818342 /nfs/dbraw/zinc/81/83/42/1054818342.db2.gz NGUONKYHLFQTHW-SMDDNHRTSA-N 0 3 348.324 4.076 20 30 EIEDHN COc1cccc(C#N)c1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201477340 1054828683 /nfs/dbraw/zinc/82/86/83/1054828683.db2.gz FLPZEOLYUGJUGM-UXHICEINSA-N 0 3 345.446 4.300 20 30 EIEDHN N#Cc1c(F)cccc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201474875 1054828974 /nfs/dbraw/zinc/82/89/74/1054828974.db2.gz NDFDMZGPNXCGTC-MSOLQXFVSA-N 0 3 333.410 4.430 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)oc2C)cc1 ZINC000131487142 1054861367 /nfs/dbraw/zinc/86/13/67/1054861367.db2.gz GGGKQLUBANZEEK-KPZWWZAWSA-N 0 3 338.407 4.371 20 30 EIEDHN CCCCCCCCCN1CCCn2cnc(Cn3cccn3)c2C1 ZINC001201847279 1054933189 /nfs/dbraw/zinc/93/31/89/1054933189.db2.gz ULRNYIWXBCLSFC-UHFFFAOYSA-N 0 3 343.519 4.084 20 30 EIEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000876593271 1054934210 /nfs/dbraw/zinc/93/42/10/1054934210.db2.gz YSBUHWUMZKZLAO-ZIAGYGMSSA-N 0 3 347.673 4.127 20 30 EIEDHN CS[C@H](CNCc1cc(C#N)ccc1Br)C(C)(C)C ZINC001201970771 1054971357 /nfs/dbraw/zinc/97/13/57/1054971357.db2.gz KBTKIXTURZRMGL-CQSZACIVSA-N 0 3 341.318 4.188 20 30 EIEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000877491505 1055063356 /nfs/dbraw/zinc/06/33/56/1055063356.db2.gz KWXWSZLSIRUCOU-RHSMWYFYSA-N 0 3 329.806 4.172 20 30 EIEDHN CN(Cc1ccc2cc[nH]c2c1)Cc1cccc(OCCCC#N)c1 ZINC000877769726 1055120489 /nfs/dbraw/zinc/12/04/89/1055120489.db2.gz MSBVWEGJBGHYQX-UHFFFAOYSA-N 0 3 333.435 4.482 20 30 EIEDHN C[C@@]1(C(F)(F)F)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000877812387 1055125809 /nfs/dbraw/zinc/12/58/09/1055125809.db2.gz OMWMGIJPYLFDES-MRXNPFEDSA-N 0 3 326.362 4.143 20 30 EIEDHN CC(=O)[C@](C#N)(CCN1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000877898968 1055148081 /nfs/dbraw/zinc/14/80/81/1055148081.db2.gz WYPLAMINJVFIPX-FCHUYYIVSA-N 0 3 332.447 4.264 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(C)C[C@H](C)c1ccccc1)c1ccccc1 ZINC000878044465 1055178824 /nfs/dbraw/zinc/17/88/24/1055178824.db2.gz PFISORDNKOJTSL-AVRDEDQJSA-N 0 3 334.463 4.163 20 30 EIEDHN N#Cc1ccc(C(F)(F)F)c(NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000301737404 1055975495 /nfs/dbraw/zinc/97/54/95/1055975495.db2.gz VUEYZNGLTNHNNI-MRXNPFEDSA-N 0 3 349.356 4.419 20 30 EIEDHN N#Cc1ccc(C(F)(F)F)c(NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000301737403 1055975528 /nfs/dbraw/zinc/97/55/28/1055975528.db2.gz VUEYZNGLTNHNNI-INIZCTEOSA-N 0 3 349.356 4.419 20 30 EIEDHN CC1(C)CN(CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000554309236 1056055116 /nfs/dbraw/zinc/05/51/16/1056055116.db2.gz OINIJHVFCSMLOT-GOSISDBHSA-N 0 3 339.464 4.031 20 30 EIEDHN C=CCSCCN[C@H](C)c1ccc(OC)cc1Br ZINC000542826890 1056150795 /nfs/dbraw/zinc/15/07/95/1056150795.db2.gz BDHNLZQSJHQCAM-LLVKDONJSA-N 0 3 330.291 4.028 20 30 EIEDHN CN(C)[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)c1cccs1 ZINC000111103848 1056746614 /nfs/dbraw/zinc/74/66/14/1056746614.db2.gz VYUGTQMHILPIKX-AWEZNQCLSA-N 0 3 339.386 4.353 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(OC)c(Cl)c2)c1 ZINC000742371262 1058600302 /nfs/dbraw/zinc/60/03/02/1058600302.db2.gz MWEDKDVVCLRFKM-INIZCTEOSA-N 0 3 344.842 4.319 20 30 EIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743262266 1058906517 /nfs/dbraw/zinc/90/65/17/1058906517.db2.gz SNNBBRZMURKWIV-IBGZPJMESA-N 0 3 331.843 4.070 20 30 EIEDHN Cc1ccc([C@H](C)C(=O)C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000744062728 1059254914 /nfs/dbraw/zinc/25/49/14/1059254914.db2.gz JXGMVUAZTLNLFP-JSGCOSHPSA-N 0 3 337.404 4.087 20 30 EIEDHN C=CCc1cc(CNCc2cnc3ccccc3c2)cc(OC)c1OC ZINC000729683478 1032130922 /nfs/dbraw/zinc/13/09/22/1032130922.db2.gz RFEFPCLHDPKJCR-UHFFFAOYSA-N 0 3 348.446 4.270 20 30 EIEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccccc3Cl)C2)c(F)c1 ZINC000533308962 1032618407 /nfs/dbraw/zinc/61/84/07/1032618407.db2.gz UBRHDWNEPJEDFX-INIZCTEOSA-N 0 3 343.833 4.109 20 30 EIEDHN N#Cc1cccc(NC(=O)CN[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000533384314 1032702593 /nfs/dbraw/zinc/70/25/93/1032702593.db2.gz UKFHLHTYYJUZLC-NRFANRHFSA-N 0 3 333.435 4.018 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)c2ccccc2)cc1 ZINC000160166305 1018757894 /nfs/dbraw/zinc/75/78/94/1018757894.db2.gz RZWGJFMCBZOOFY-OXQOHEQNSA-N 0 3 348.446 4.480 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)c2ccccc2)cc1 ZINC000160166162 1018758224 /nfs/dbraw/zinc/75/82/24/1018758224.db2.gz RZWGJFMCBZOOFY-UZLBHIALSA-N 0 3 348.446 4.480 20 30 EIEDHN N#Cc1cccc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1 ZINC000533490563 1032799109 /nfs/dbraw/zinc/79/91/09/1032799109.db2.gz LCOQZUAEIJXYJR-UHFFFAOYSA-N 0 3 331.394 4.468 20 30 EIEDHN COc1ccc([C@@H](CCC#N)NCCCOc2ccc(F)cc2)cc1 ZINC000579795728 1018991293 /nfs/dbraw/zinc/99/12/93/1018991293.db2.gz CPGDDMNLOBQBFC-HXUWFJFHSA-N 0 3 342.414 4.238 20 30 EIEDHN N#Cc1cccc([C@H](O)CN2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC001167064703 1019220127 /nfs/dbraw/zinc/22/01/27/1019220127.db2.gz XSHWWRGJUAXPFN-RBUKOAKNSA-N 0 3 326.827 4.082 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](C)CCC[C@H]2C)c1C ZINC000610216556 1019414108 /nfs/dbraw/zinc/41/41/08/1019414108.db2.gz PYPCIHGSYFYJLR-SJLPKXTDSA-N 0 3 341.499 4.061 20 30 EIEDHN CN(CCCc1cccc(C#N)c1)Cc1ncccc1C(F)(F)F ZINC001208844223 1019735864 /nfs/dbraw/zinc/73/58/64/1019735864.db2.gz GIUZMIFPYDXARL-UHFFFAOYSA-N 0 3 333.357 4.037 20 30 EIEDHN N#Cc1cccc(OCCN2CCC[C@H]2c2ccccc2Cl)c1 ZINC001167084033 1019744029 /nfs/dbraw/zinc/74/40/29/1019744029.db2.gz JXHPHIPCSNNBHY-IBGZPJMESA-N 0 3 326.827 4.428 20 30 EIEDHN N#CC(C(=O)C=Cc1nc2ccccc2s1)c1nc2ccccc2[nH]1 ZINC000255000793 1019777829 /nfs/dbraw/zinc/77/78/29/1019777829.db2.gz IGVFHDAGVYUXCB-PRDAAYKISA-N 0 3 344.399 4.062 20 30 EIEDHN CCOc1cc2c(cc1OCC)CN(CC(C)(C)CCC#N)CC2 ZINC000179751048 1019832947 /nfs/dbraw/zinc/83/29/47/1019832947.db2.gz QKGQVBIESSORCZ-UHFFFAOYSA-N 0 3 330.472 4.172 20 30 EIEDHN Cc1cc2ncc([C@@H](C)N[C@H](CCCC#N)c3ccccc3)c(C)n2n1 ZINC000340444775 1021039978 /nfs/dbraw/zinc/03/99/78/1021039978.db2.gz JKSPBOMTOKUSLO-OXQOHEQNSA-N 0 3 347.466 4.432 20 30 EIEDHN C[C@@H](NCc1cccc(OCc2ccccn2)c1)c1cccc(C#N)c1 ZINC000610344942 1021340849 /nfs/dbraw/zinc/34/08/49/1021340849.db2.gz OEECIULHTSZVCD-QGZVFWFLSA-N 0 3 343.430 4.383 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000092071445 1021468234 /nfs/dbraw/zinc/46/82/34/1021468234.db2.gz AKFYQXHXRCXDKQ-OAHLLOKOSA-N 0 3 331.847 4.008 20 30 EIEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000581035111 1021824611 /nfs/dbraw/zinc/82/46/11/1021824611.db2.gz JESJVQQRVIVWLV-CQSZACIVSA-N 0 3 347.393 4.140 20 30 EIEDHN N#Cc1ccc([C@@H](O)CN[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000177743822 1021876778 /nfs/dbraw/zinc/87/67/78/1021876778.db2.gz DGCXZWCTGNKNPP-VXKWHMMOSA-N 0 3 346.405 4.110 20 30 EIEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(OC(F)F)cc1OC(F)F ZINC000414161590 1022001206 /nfs/dbraw/zinc/00/12/06/1022001206.db2.gz FSFPLZCCSMTGOL-JTQLQIEISA-N 0 3 348.340 4.480 20 30 EIEDHN COc1cc(CN2[C@@H](C)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000548096882 1022023834 /nfs/dbraw/zinc/02/38/34/1022023834.db2.gz RTXHMNDNJXFZND-HOTGVXAUSA-N 0 3 336.435 4.129 20 30 EIEDHN CCN(CC)[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccsc1 ZINC000341398397 1022464296 /nfs/dbraw/zinc/46/42/96/1022464296.db2.gz PDISMHBGZTULMY-QGZVFWFLSA-N 0 3 344.440 4.023 20 30 EIEDHN C=CCC[C@@H](O)CN1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000472939470 1022499715 /nfs/dbraw/zinc/49/97/15/1022499715.db2.gz MLKKBRFJBMTMQK-IRLDBZIGSA-N 0 3 337.463 4.122 20 30 EIEDHN CC[C@H](Cc1ccc(Cl)cc1Cl)NCc1nc(C#N)cs1 ZINC000581280767 1022958943 /nfs/dbraw/zinc/95/89/43/1022958943.db2.gz YGAGAZMCSCGKMJ-GFCCVEGCSA-N 0 3 340.279 4.432 20 30 EIEDHN CC[C@@H](Cc1ccc(Cl)cc1Cl)NCc1nc(C#N)cs1 ZINC000581280772 1022960219 /nfs/dbraw/zinc/96/02/19/1022960219.db2.gz YGAGAZMCSCGKMJ-LBPRGKRZSA-N 0 3 340.279 4.432 20 30 EIEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCCCC2)s1 ZINC000414524104 1023247576 /nfs/dbraw/zinc/24/75/76/1023247576.db2.gz HQJPNLAEJFHHMX-IBGZPJMESA-N 0 3 340.492 4.393 20 30 EIEDHN COC(=O)c1csc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417361155 1023287233 /nfs/dbraw/zinc/28/72/33/1023287233.db2.gz IPJLQOQETUFAHV-PXAZEXFGSA-N 0 3 340.448 4.135 20 30 EIEDHN CCN(CC)c1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418140823 1023562523 /nfs/dbraw/zinc/56/25/23/1023562523.db2.gz FYAIPUVKMLORHJ-SFHVURJKSA-N 0 3 340.496 4.028 20 30 EIEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000176018439 1023585444 /nfs/dbraw/zinc/58/54/44/1023585444.db2.gz BIGZZSDTIPTSQO-QGZVFWFLSA-N 0 3 340.448 4.035 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccccc1Cl ZINC000123448289 1023629955 /nfs/dbraw/zinc/62/99/55/1023629955.db2.gz KBELAMFOUOJWJP-AWEZNQCLSA-N 0 3 337.810 4.036 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000220354382 1023679815 /nfs/dbraw/zinc/67/98/15/1023679815.db2.gz FBMDSDFCIYEMHI-KBPBESRZSA-N 0 3 342.405 4.169 20 30 EIEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178176325 1023779968 /nfs/dbraw/zinc/77/99/68/1023779968.db2.gz MOFNZWNQVOLWKN-GJZGRUSLSA-N 0 3 348.450 4.254 20 30 EIEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000430745260 1024003977 /nfs/dbraw/zinc/00/39/77/1024003977.db2.gz WLAVAVILNKKOEO-WBVHZDCISA-N 0 3 346.446 4.118 20 30 EIEDHN C=CCc1cc(CN[C@@H]2CCCc3ccc(F)cc32)cc(OC)c1O ZINC000093116540 1024163947 /nfs/dbraw/zinc/16/39/47/1024163947.db2.gz USQDMVSGBBZPPD-LJQANCHMSA-N 0 3 341.426 4.436 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccccc2CCC(C)C)CC1 ZINC000592907171 1024224549 /nfs/dbraw/zinc/22/45/49/1024224549.db2.gz WKWMMJWJNXLFTO-UHFFFAOYSA-N 0 3 329.488 4.047 20 30 EIEDHN C=CCCCCN[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000471889240 1024300778 /nfs/dbraw/zinc/30/07/78/1024300778.db2.gz WHNWBWNRYIENIW-FQEVSTJZSA-N 0 3 338.451 4.321 20 30 EIEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000341892968 1024960053 /nfs/dbraw/zinc/96/00/53/1024960053.db2.gz XIJUGJHZXSWJKH-CRAIPNDOSA-N 0 3 349.906 4.025 20 30 EIEDHN COc1ccc(CN2CCC(c3ccc(F)c(F)c3)CC2)cc1C#N ZINC000610992527 1025236592 /nfs/dbraw/zinc/23/65/92/1025236592.db2.gz NSJQRUZBGGPQIH-UHFFFAOYSA-N 0 3 342.389 4.225 20 30 EIEDHN N#Cc1csc(CNCCOCc2ccc(Cl)cc2Cl)c1 ZINC000538488164 1025436284 /nfs/dbraw/zinc/43/62/84/1025436284.db2.gz RYFMXVIYHJHHHK-UHFFFAOYSA-N 0 3 341.263 4.233 20 30 EIEDHN CC(C)(C#N)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000536471159 1025851527 /nfs/dbraw/zinc/85/15/27/1025851527.db2.gz HVHSWBLUBUXUAI-UHFFFAOYSA-N 0 3 347.506 4.333 20 30 EIEDHN N#CCSCCCN(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511063446 1026063068 /nfs/dbraw/zinc/06/30/68/1026063068.db2.gz HPDPSWXLINRUAK-UHFFFAOYSA-N 0 3 326.868 4.338 20 30 EIEDHN N#Cc1ccc2ncc(CN[C@@H](c3ccc(F)cc3)C3CCCC3)n2c1 ZINC000551529958 1026207647 /nfs/dbraw/zinc/20/76/47/1026207647.db2.gz MANGPEFRHYUNNK-OAQYLSRUSA-N 0 3 348.425 4.366 20 30 EIEDHN N#Cc1cccc(OC2CCN(CCSc3ccccc3)CC2)c1 ZINC000344615642 1026496512 /nfs/dbraw/zinc/49/65/12/1026496512.db2.gz ZNPWJVBWQUIEPY-UHFFFAOYSA-N 0 3 338.476 4.194 20 30 EIEDHN Cc1cc(N(CCC#N)C(=O)CN(C)C2CCCCC2)ccc1Cl ZINC000096994062 1026623767 /nfs/dbraw/zinc/62/37/67/1026623767.db2.gz TWLFDQXEZMZGLE-UHFFFAOYSA-N 0 3 347.890 4.160 20 30 EIEDHN COc1cccc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1OC ZINC000507724139 1026886038 /nfs/dbraw/zinc/88/60/38/1026886038.db2.gz JJKNMHRIGKYYIC-UHFFFAOYSA-N 0 3 338.451 4.234 20 30 EIEDHN Cc1ccc(C2(CNCc3nc(C#N)cs3)CCCC2)c(C)c1 ZINC000550308288 1026926829 /nfs/dbraw/zinc/92/68/29/1026926829.db2.gz TWONPSLMCNZJMD-UHFFFAOYSA-N 0 3 325.481 4.233 20 30 EIEDHN N#CCC1CCN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000519739080 1026972299 /nfs/dbraw/zinc/97/22/99/1026972299.db2.gz IXCAUBHLBBVTHF-UHFFFAOYSA-N 0 3 348.372 4.221 20 30 EIEDHN N#CCSCCCN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000074981874 1027030289 /nfs/dbraw/zinc/03/02/89/1027030289.db2.gz XRSRTAMZFBYPTP-ZDUSSCGKSA-N 0 3 326.868 4.133 20 30 EIEDHN CCN(Cc1cccc(Br)c1)Cc1cccc(C#N)c1 ZINC000519918033 1027053566 /nfs/dbraw/zinc/05/35/66/1027053566.db2.gz XGLHNBBJZZPGSL-UHFFFAOYSA-N 0 3 329.241 4.343 20 30 EIEDHN CCN(Cc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000520183029 1027295864 /nfs/dbraw/zinc/29/58/64/1027295864.db2.gz CEOPOKWFJYCTFW-UHFFFAOYSA-N 0 3 329.241 4.343 20 30 EIEDHN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@H](c1cccs1)N1CCCC1 ZINC000329846028 1028138673 /nfs/dbraw/zinc/13/86/73/1028138673.db2.gz QOLIONIBJUIXBG-LSDHHAIUSA-N 0 3 349.500 4.131 20 30 EIEDHN Cc1cc(C)c(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C2CC2)c(Cl)c1 ZINC000330253437 1028236949 /nfs/dbraw/zinc/23/69/49/1028236949.db2.gz IWJFXQAITCMOHF-NUTKFTJISA-N 0 3 336.863 4.090 20 30 EIEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000330273327 1028246047 /nfs/dbraw/zinc/24/60/47/1028246047.db2.gz ZAMOEBPJFBOPGM-ULKVUYOBSA-N 0 3 343.254 4.127 20 30 EIEDHN C=CCOc1cccc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)c1 ZINC000657742419 1028255254 /nfs/dbraw/zinc/25/52/54/1028255254.db2.gz RCLOJAMXBXSXKN-LEWJYISDSA-N 0 3 325.452 4.099 20 30 EIEDHN CC[C@H](NCCOCC(F)(F)C(F)(F)F)c1cc(F)ccc1F ZINC000346551618 1028512477 /nfs/dbraw/zinc/51/24/77/1028512477.db2.gz KDTOZPPDJYSSJB-LBPRGKRZSA-N 0 3 347.274 4.220 20 30 EIEDHN CC[C@H](NCc1ccnc(OCC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000278253692 1028730366 /nfs/dbraw/zinc/73/03/66/1028730366.db2.gz MWKKTQASQCZSFO-INIZCTEOSA-N 0 3 349.356 4.135 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cc(Br)cc(C)c2C)n1 ZINC000583451824 1028744455 /nfs/dbraw/zinc/74/44/55/1028744455.db2.gz IQBQIHHCMPRGHJ-ZDUSSCGKSA-N 0 3 349.253 4.321 20 30 EIEDHN CC[C@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000278264450 1028760805 /nfs/dbraw/zinc/76/08/05/1028760805.db2.gz OGKHRKFHFWOTLV-NRFANRHFSA-N 0 3 347.462 4.316 20 30 EIEDHN COc1cc(CN[C@H](C)c2cccc(OC(F)F)c2)ccc1C#N ZINC000281663144 1028828053 /nfs/dbraw/zinc/82/80/53/1028828053.db2.gz KYSBBVPRRCBUIK-GFCCVEGCSA-N 0 3 332.350 4.019 20 30 EIEDHN CCOc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114620340 1029258239 /nfs/dbraw/zinc/25/82/39/1029258239.db2.gz PQKSOOQQPMTWQU-INIZCTEOSA-N 0 3 349.415 4.094 20 30 EIEDHN COCCCCN(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000446767267 1029566412 /nfs/dbraw/zinc/56/64/12/1029566412.db2.gz KSWQSPZCPGJRLX-UHFFFAOYSA-N 0 3 325.427 4.106 20 30 EIEDHN C=CCCN1CCC[C@H]1c1ccccc1I ZINC000525329091 1029573829 /nfs/dbraw/zinc/57/38/29/1029573829.db2.gz YYPHOPSOZQCIIL-AWEZNQCLSA-N 0 3 327.209 4.004 20 30 EIEDHN C[C@@H]1SCCN(CCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000609829486 1029629423 /nfs/dbraw/zinc/62/94/23/1029629423.db2.gz XPHRXLKLMOZRFP-OXJNMPFZSA-N 0 3 338.476 4.116 20 30 EIEDHN CC[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000278652018 1029648447 /nfs/dbraw/zinc/64/84/47/1029648447.db2.gz ICQOMYCJAIWQBL-FKHUDQKESA-N 0 3 326.465 4.098 20 30 EIEDHN Cc1sc(NC(=O)CN(C)[C@@H](C)C2CCCCC2)c(C#N)c1C ZINC000447400496 1030060825 /nfs/dbraw/zinc/06/08/25/1030060825.db2.gz PDFJFPMMFLVSRJ-ZDUSSCGKSA-N 0 3 333.501 4.076 20 30 EIEDHN N#CCCCOc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000191661376 1030635282 /nfs/dbraw/zinc/63/52/82/1030635282.db2.gz HOJALPBVOLALRR-HXUWFJFHSA-N 0 3 336.435 4.242 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@H]1CCc2ccccc21 ZINC000892419235 1030736297 /nfs/dbraw/zinc/73/62/97/1030736297.db2.gz AICIQTQVENITCW-AEFFLSMTSA-N 0 3 343.430 4.260 20 30 EIEDHN N#Cc1ccc(C2(NCc3ccc(Cl)s3)CCOCC2)cc1 ZINC000527812005 1030856703 /nfs/dbraw/zinc/85/67/03/1030856703.db2.gz OTOWTMCDVWGJNB-UHFFFAOYSA-N 0 3 332.856 4.069 20 30 EIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1CCC[C@@H](C)C1 ZINC000531170463 1030936352 /nfs/dbraw/zinc/93/63/52/1030936352.db2.gz SENVCAWUQYVPMZ-IAGOWNOFSA-N 0 3 348.560 4.163 20 30 EIEDHN N#Cc1cccc(CN2CCC(Nc3nccc4ccccc43)CC2)c1 ZINC000528044424 1031076597 /nfs/dbraw/zinc/07/65/97/1031076597.db2.gz HRKNJSMKXSTQGA-UHFFFAOYSA-N 0 3 342.446 4.183 20 30 EIEDHN C=CCC1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCCC1 ZINC000449072890 1031426437 /nfs/dbraw/zinc/42/64/37/1031426437.db2.gz QOKPWUCSBZEPFX-INIZCTEOSA-N 0 3 332.513 4.138 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(OCCC(C)C)cc2)n1 ZINC000041520620 1031499312 /nfs/dbraw/zinc/49/93/12/1031499312.db2.gz VCEVLEMWVGHVLA-INIZCTEOSA-N 0 3 328.437 4.367 20 30 EIEDHN C[C@@H](N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000453296452 1031814564 /nfs/dbraw/zinc/81/45/64/1031814564.db2.gz YSSUXCULQKNOAA-ACJLOTCBSA-N 0 3 348.368 4.351 20 30 EIEDHN COc1ncc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1Cl ZINC000453300586 1031818305 /nfs/dbraw/zinc/81/83/05/1031818305.db2.gz WIGUGVLYWWHOAI-GOSISDBHSA-N 0 3 341.842 4.173 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(-c3ccccn3)c2)cc1 ZINC000130245817 1031830136 /nfs/dbraw/zinc/83/01/36/1031830136.db2.gz PVPUPHRJWMWFQC-KRWDZBQOSA-N 0 3 343.430 4.329 20 30 EIEDHN N#CC(C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000528906004 1031933402 /nfs/dbraw/zinc/93/34/02/1031933402.db2.gz APNBJOHYDVTZBS-HRCADAONSA-N 0 3 333.366 4.072 20 30 EIEDHN Cc1nc(C(C)C)ccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000453577127 1032027970 /nfs/dbraw/zinc/02/79/70/1032027970.db2.gz WMGOZXKOXQCWGS-CQSZACIVSA-N 0 3 347.340 4.417 20 30 EIEDHN C[C@H](N[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc(C#N)cc1F ZINC000512649981 1033608341 /nfs/dbraw/zinc/60/83/41/1033608341.db2.gz WBSNCVHDXHLEGD-IWMITWMQSA-N 0 3 338.426 4.486 20 30 EIEDHN C[C@H](N[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(C#N)cc1F ZINC000512655672 1033629418 /nfs/dbraw/zinc/62/94/18/1033629418.db2.gz WFXSBXVLFMWKNB-BBRMVZONSA-N 0 3 343.833 4.280 20 30 EIEDHN CCc1ccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000433013566 1033655250 /nfs/dbraw/zinc/65/52/50/1033655250.db2.gz XYWYTESOWKDGMX-HXUWFJFHSA-N 0 3 335.451 4.212 20 30 EIEDHN Cc1cccc(C)c1NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433013931 1033655395 /nfs/dbraw/zinc/65/53/95/1033655395.db2.gz QCWIXZALIIIILB-IBGZPJMESA-N 0 3 335.451 4.267 20 30 EIEDHN COC(=O)c1cc(CN[C@@H](CCCC#N)c2ccccc2)c(C)s1 ZINC000433015093 1033655940 /nfs/dbraw/zinc/65/59/40/1033655940.db2.gz VHYQFXZQMHXWPN-KRWDZBQOSA-N 0 3 342.464 4.368 20 30 EIEDHN CC1CCC(N(C)C(=O)CN[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433023060 1033680706 /nfs/dbraw/zinc/68/07/06/1033680706.db2.gz ZCNMWMNGJNTGKG-UUKMXZOPSA-N 0 3 341.499 4.048 20 30 EIEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419334065 1034324206 /nfs/dbraw/zinc/32/42/06/1034324206.db2.gz UYWJHSQQBDSWNB-IAGOWNOFSA-N 0 3 338.455 4.255 20 30 EIEDHN COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(C#N)cc2C)c1 ZINC000614396019 1034533979 /nfs/dbraw/zinc/53/39/79/1034533979.db2.gz OTZNFFRPVLHHJP-HXUWFJFHSA-N 0 3 336.435 4.221 20 30 EIEDHN CC[C@@H](C)c1ccc([C@H](NCC(=O)N(CC)CCC#N)C(C)C)cc1 ZINC001167936819 1034749946 /nfs/dbraw/zinc/74/99/46/1034749946.db2.gz NENHFPFBTIECQU-DYESRHJHSA-N 0 3 343.515 4.249 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C2CCCCC2)o1 ZINC000513419783 1034925287 /nfs/dbraw/zinc/92/52/87/1034925287.db2.gz JOZRPCBDQCAEPJ-UHFFFAOYSA-N 0 3 338.407 4.215 20 30 EIEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2n[nH]cc2c1 ZINC000513419448 1034925818 /nfs/dbraw/zinc/92/58/18/1034925818.db2.gz HSWNODFIHLEFLV-ZDUSSCGKSA-N 0 3 343.352 4.284 20 30 EIEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000182509723 1034961528 /nfs/dbraw/zinc/96/15/28/1034961528.db2.gz IPNDWQDOFRLOCN-NSHDSACASA-N 0 3 338.304 4.447 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2CC(C)C)c1C ZINC000501098059 1035376609 /nfs/dbraw/zinc/37/66/09/1035376609.db2.gz CIRQFYOGZVITRR-LJQANCHMSA-N 0 3 341.499 4.061 20 30 EIEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)c(C)s1 ZINC000594985510 1035516337 /nfs/dbraw/zinc/51/63/37/1035516337.db2.gz YGIGZTYEYCEIHP-UHFFFAOYSA-N 0 3 326.465 4.032 20 30 EIEDHN CC[C@@H](Cc1ccc(OC)c(OC)c1)NCC1(C#N)CCCCC1 ZINC000595090613 1035600114 /nfs/dbraw/zinc/60/01/14/1035600114.db2.gz JBDIESUHUPQABL-KRWDZBQOSA-N 0 3 330.472 4.089 20 30 EIEDHN CC1(C)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC(C)(C)C1 ZINC000595749263 1035781778 /nfs/dbraw/zinc/78/17/78/1035781778.db2.gz JJWSXFIVDRZGLK-UHFFFAOYSA-N 0 3 338.455 4.256 20 30 EIEDHN N#Cc1cc(CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)ccn1 ZINC000586776720 1035834808 /nfs/dbraw/zinc/83/48/08/1035834808.db2.gz QQNLCIIHWYACBL-KRWDZBQOSA-N 0 3 347.340 4.093 20 30 EIEDHN COc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c(C)c1OC ZINC000586793885 1035849778 /nfs/dbraw/zinc/84/97/78/1035849778.db2.gz NOCHEKHLTLWVGJ-AUUYWEPGSA-N 0 3 336.435 4.222 20 30 EIEDHN CC(C)(C)OCc1cccc(CNCc2ccc(C#N)c(F)c2)c1 ZINC000421326941 1036277107 /nfs/dbraw/zinc/27/71/07/1036277107.db2.gz PBSQQTRWFTZMMF-UHFFFAOYSA-N 0 3 326.415 4.302 20 30 EIEDHN N#CC1CCC(N[C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000602565937 1036497581 /nfs/dbraw/zinc/49/75/81/1036497581.db2.gz BLOSOUVVORALRK-ITXXBFQVSA-N 0 3 325.843 4.496 20 30 EIEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000602699973 1036578387 /nfs/dbraw/zinc/57/83/87/1036578387.db2.gz PTHIXTXXZSRFLS-YOEHRIQHSA-N 0 3 346.446 4.116 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000598590794 1036708604 /nfs/dbraw/zinc/70/86/04/1036708604.db2.gz PJRAJLGOWDWEIW-FQEVSTJZSA-N 0 3 340.442 4.129 20 30 EIEDHN C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000170686271 1036775728 /nfs/dbraw/zinc/77/57/28/1036775728.db2.gz BVBVSYYCONTYGM-CYBMUJFWSA-N 0 3 334.341 4.459 20 30 EIEDHN Cc1ccc2cc(CNC3(c4ccc(C#N)cc4)CCOCC3)[nH]c2c1 ZINC000599004814 1036844676 /nfs/dbraw/zinc/84/46/76/1036844676.db2.gz HKGGPAHZJDMJBC-UHFFFAOYSA-N 0 3 345.446 4.144 20 30 EIEDHN COc1ccc(CNCc2cscc2C)cc1OCCCC#N ZINC000487193406 1037039293 /nfs/dbraw/zinc/03/92/93/1037039293.db2.gz ZIVZOXHRQYXBEP-UHFFFAOYSA-N 0 3 330.453 4.038 20 30 EIEDHN C[C@H](NCCCSCC#N)c1cc(F)c(Br)cc1F ZINC000599542524 1037066567 /nfs/dbraw/zinc/06/65/67/1037066567.db2.gz UWZFKVFUAIHNBJ-VIFPVBQESA-N 0 3 349.244 4.025 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccnc(C(F)(F)F)c1 ZINC000590779259 1037162615 /nfs/dbraw/zinc/16/26/15/1037162615.db2.gz KDUHQHYPRNMGGL-INIZCTEOSA-N 0 3 331.341 4.139 20 30 EIEDHN CCOc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cc(Cl)c1O ZINC000590962110 1037214495 /nfs/dbraw/zinc/21/44/95/1037214495.db2.gz AUKGBECDGVMJQN-KRWDZBQOSA-N 0 3 342.826 4.093 20 30 EIEDHN C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1cccc(C#N)c1 ZINC000591066740 1037282907 /nfs/dbraw/zinc/28/29/07/1037282907.db2.gz KCXJTVJHRWNCAW-KRWDZBQOSA-N 0 3 347.462 4.035 20 30 EIEDHN C=CCn1cccc1C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000488176105 1037392384 /nfs/dbraw/zinc/39/23/84/1037392384.db2.gz BWJASAFCDAIZRO-OAHLLOKOSA-N 0 3 333.416 4.288 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(C)(C)C)CC1 ZINC000604652982 1037467252 /nfs/dbraw/zinc/46/72/52/1037467252.db2.gz USPASAVNLSIVQI-IBGZPJMESA-N 0 3 349.563 4.321 20 30 EIEDHN CC(C)COc1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000171655575 1037564067 /nfs/dbraw/zinc/56/40/67/1037564067.db2.gz OOAFTUQCZICYAR-QGZVFWFLSA-N 0 3 348.402 4.282 20 30 EIEDHN Cc1ccc(-c2ncc(CNCc3ccc(OCC#N)cc3)s2)cc1 ZINC000172037416 1037835273 /nfs/dbraw/zinc/83/52/73/1037835273.db2.gz HTBYDVHYZPCGJF-UHFFFAOYSA-N 0 3 349.459 4.311 20 30 EIEDHN C=CCCCN(C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000605738766 1037859257 /nfs/dbraw/zinc/85/92/57/1037859257.db2.gz PTYPCGKOBSCPCB-HXUWFJFHSA-N 0 3 342.508 4.160 20 30 EIEDHN CCC1(CC)CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000190412916 1037880552 /nfs/dbraw/zinc/88/05/52/1037880552.db2.gz XDOODKUDGOKBCH-UHFFFAOYSA-N 0 3 338.455 4.401 20 30 EIEDHN N#CC(C(=O)c1cc2ccsc2[nH]1)c1nc2cc(F)ccc2s1 ZINC000592974313 1037882875 /nfs/dbraw/zinc/88/28/75/1037882875.db2.gz QHTSZQGDGCQCGT-JTQLQIEISA-N 0 3 341.392 4.468 20 30 EIEDHN C=C(C)[C@H](N[C@@H](C)c1ccc(CN)nc1C)c1ccc(F)c(F)c1 ZINC000423051476 1037938093 /nfs/dbraw/zinc/93/80/93/1037938093.db2.gz NLWDOECAGIAEGD-DJJJIMSYSA-N 0 3 331.410 4.095 20 30 EIEDHN N#Cc1cccc(CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)c1 ZINC000489564938 1038136883 /nfs/dbraw/zinc/13/68/83/1038136883.db2.gz SOMJTBVFZKVNOV-OAQYLSRUSA-N 0 3 332.447 4.441 20 30 EIEDHN Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594432659 1038334260 /nfs/dbraw/zinc/33/42/60/1038334260.db2.gz AIRJYBSMBCBGFO-SFHVURJKSA-N 0 3 337.423 4.137 20 30 EIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCCO2 ZINC000594515240 1038358459 /nfs/dbraw/zinc/35/84/59/1038358459.db2.gz LSRURWRZVYYXMA-HNNXBMFYSA-N 0 3 334.419 4.059 20 30 EIEDHN N#CCCCOc1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594520849 1038360868 /nfs/dbraw/zinc/36/08/68/1038360868.db2.gz QDJSNZJVHQSRME-UHFFFAOYSA-N 0 3 345.446 4.410 20 30 EIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc([S@@](C)=O)cc1 ZINC000594519571 1038361536 /nfs/dbraw/zinc/36/15/36/1038361536.db2.gz WDMCLBBQDQDODM-IZHWHUGBSA-N 0 3 338.476 4.026 20 30 EIEDHN CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000063482778 1038386994 /nfs/dbraw/zinc/38/69/94/1038386994.db2.gz PUHHDUASQOUMIA-UHFFFAOYSA-N 0 3 347.871 4.124 20 30 EIEDHN N#CC1(c2ccc(CNCc3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000594915276 1038427268 /nfs/dbraw/zinc/42/72/68/1038427268.db2.gz RNZNBJFCHUWSRG-UHFFFAOYSA-N 0 3 346.352 4.430 20 30 EIEDHN CC[C@H](C)c1ccc([C@@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1 ZINC000424062631 1038484664 /nfs/dbraw/zinc/48/46/64/1038484664.db2.gz HIHYFORQMHFYDV-IPELMVKDSA-N 0 3 329.488 4.035 20 30 EIEDHN C=CCc1cc(CNC(C)(C)c2cccc(C#N)c2)cc(OC)c1O ZINC000594970014 1038485228 /nfs/dbraw/zinc/48/52/28/1038485228.db2.gz RTGHTTZZHUSEAQ-UHFFFAOYSA-N 0 3 336.435 4.026 20 30 EIEDHN C[C@H](NCc1cnc2n1CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000594945310 1038519407 /nfs/dbraw/zinc/51/94/07/1038519407.db2.gz YOKRYUWUFUTPPU-INIZCTEOSA-N 0 3 342.446 4.219 20 30 EIEDHN CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424193987 1038729835 /nfs/dbraw/zinc/72/98/35/1038729835.db2.gz LBTKVPUALLXDFC-PKOBYXMFSA-N 0 3 336.483 4.011 20 30 EIEDHN N#CC(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1nc2ccccc2[nH]1 ZINC000173902978 1038780781 /nfs/dbraw/zinc/78/07/81/1038780781.db2.gz BGPFGDUEWJLCED-ZWWNWMABSA-N 0 3 341.414 4.033 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCC(F)(F)F)cc1 ZINC000173970078 1038802631 /nfs/dbraw/zinc/80/26/31/1038802631.db2.gz QLLHRRBEDKTCLM-AWEZNQCLSA-N 0 3 340.345 4.019 20 30 EIEDHN C[C@@H](CCc1ccccc1F)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000174015912 1038819597 /nfs/dbraw/zinc/81/95/97/1038819597.db2.gz SXXXLZXRVZQERZ-DZGCQCFKSA-N 0 3 336.366 4.412 20 30 EIEDHN C=CCC[C@H](NCC(=O)NCC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000539333176 1038980420 /nfs/dbraw/zinc/98/04/20/1038980420.db2.gz WPAKMJXYHWXTPB-INIZCTEOSA-N 0 3 342.405 4.075 20 30 EIEDHN Clc1ccc(C#CCN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000539333583 1038980700 /nfs/dbraw/zinc/98/07/00/1038980700.db2.gz HQJUUZMCENNALF-WIYYLYMNSA-N 0 3 339.866 4.449 20 30 EIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000552057178 1039074669 /nfs/dbraw/zinc/07/46/69/1039074669.db2.gz IXVPVMWNZGEYIO-BAGYTPMASA-N 0 3 337.438 4.118 20 30 EIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000552057179 1039076220 /nfs/dbraw/zinc/07/62/20/1039076220.db2.gz IXVPVMWNZGEYIO-CEMLEFRQSA-N 0 3 337.438 4.118 20 30 EIEDHN C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H](CCC#N)c1ccccc1 ZINC000090665562 1039266377 /nfs/dbraw/zinc/26/63/77/1039266377.db2.gz YTIYFCAVHLNUES-BEFAXECRSA-N 0 3 339.414 4.177 20 30 EIEDHN C=C[C@H](CC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000534605575 1039596338 /nfs/dbraw/zinc/59/63/38/1039596338.db2.gz UYFZRFWDRIKZAF-KNQAVFIVSA-N 0 3 348.490 4.300 20 30 EIEDHN C#CCN1CCC(C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000122282525 1039640591 /nfs/dbraw/zinc/64/05/91/1039640591.db2.gz UYOVBFOVWJQGEP-UHFFFAOYSA-N 0 3 326.484 4.217 20 30 EIEDHN C[C@H](NCCc1cccc(C(F)(F)F)n1)c1ccc(C#N)cc1F ZINC000550856493 1039644420 /nfs/dbraw/zinc/64/44/20/1039644420.db2.gz JVJIIUTZVQSUFD-NSHDSACASA-N 0 3 337.320 4.004 20 30 EIEDHN COc1cccc(NC2CCN([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000442670929 1039809797 /nfs/dbraw/zinc/80/97/97/1039809797.db2.gz FPZDUAWIXZOKIJ-INIZCTEOSA-N 0 3 335.451 4.204 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCC(CCC)CC2)CC1 ZINC000478613775 1039839017 /nfs/dbraw/zinc/83/90/17/1039839017.db2.gz FGFWJQSYEXBMEP-UHFFFAOYSA-N 0 3 335.536 4.027 20 30 EIEDHN N#CCCCN[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000479272930 1040243216 /nfs/dbraw/zinc/24/32/16/1040243216.db2.gz ACUUNVWMSGKVGV-KRWDZBQOSA-N 0 3 329.241 4.432 20 30 EIEDHN C=CCOc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000425368998 1040355406 /nfs/dbraw/zinc/35/54/06/1040355406.db2.gz YVGLPXFMWBGUSL-MRXNPFEDSA-N 0 3 336.435 4.325 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc([C@@H]3CCOC3)c2)n1 ZINC000551661161 1040484440 /nfs/dbraw/zinc/48/44/40/1040484440.db2.gz IVTUSCMVAXMXSE-HZPDHXFCSA-N 0 3 340.448 4.260 20 30 EIEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)oc1C ZINC000128736788 1040517510 /nfs/dbraw/zinc/51/75/10/1040517510.db2.gz LSJUKAKSPJQICA-MRXNPFEDSA-N 0 3 332.359 4.011 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C)c(C)o2)cc1 ZINC000128734119 1040518384 /nfs/dbraw/zinc/51/83/84/1040518384.db2.gz HNALVODSGLHHLE-KRWDZBQOSA-N 0 3 338.407 4.200 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@@]3(CCCOC3)C2)cc1Cl ZINC000539819070 1040814733 /nfs/dbraw/zinc/81/47/33/1040814733.db2.gz KEVQREGJYMCIRN-LJQANCHMSA-N 0 3 335.875 4.297 20 30 EIEDHN C=CCOc1cccc(CN(Cc2ccc(O)c(OC)c2)C2CC2)c1 ZINC000483329591 1040824596 /nfs/dbraw/zinc/82/45/96/1040824596.db2.gz FSQHUZNZSVDLCB-UHFFFAOYSA-N 0 3 339.435 4.130 20 30 EIEDHN C=CCOc1ccccc1CNC[C@@H](OC)c1cccc(Cl)c1 ZINC000462756891 1040905051 /nfs/dbraw/zinc/90/50/51/1040905051.db2.gz RGKMTLKYRUCKSZ-LJQANCHMSA-N 0 3 331.843 4.382 20 30 EIEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000539972962 1040952686 /nfs/dbraw/zinc/95/26/86/1040952686.db2.gz CBOPXRUTQRORGF-STQMWFEESA-N 0 3 348.899 4.410 20 30 EIEDHN COCCSc1ccc([C@@H](C)NCC#Cc2ccccc2)cc1 ZINC000484084983 1041118946 /nfs/dbraw/zinc/11/89/46/1041118946.db2.gz TVUSEXLVGSWUBA-QGZVFWFLSA-N 0 3 325.477 4.127 20 30 EIEDHN Clc1cccc(C#CCN[C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000538222957 1041180566 /nfs/dbraw/zinc/18/05/66/1041180566.db2.gz FINXADSVZRBZPG-GHTZIAJQSA-N 0 3 339.866 4.449 20 30 EIEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccsc3Cl)C2)c(F)c1 ZINC000480343067 1041234423 /nfs/dbraw/zinc/23/44/23/1041234423.db2.gz KMOTUJHELNBJMQ-AWEZNQCLSA-N 0 3 349.862 4.171 20 30 EIEDHN N#Cc1csc(CNCC2(c3cccc(Cl)c3)CCCC2)n1 ZINC000516119770 1041408115 /nfs/dbraw/zinc/40/81/15/1041408115.db2.gz UJMYTTZTDOKHLN-UHFFFAOYSA-N 0 3 331.872 4.270 20 30 EIEDHN Clc1ccccc1C#CCN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000540396678 1041440694 /nfs/dbraw/zinc/44/06/94/1041440694.db2.gz FRRMXNCSVLXNCD-AZUAARDMSA-N 0 3 325.839 4.059 20 30 EIEDHN C[C@H]([NH2+]Cc1ncccc1[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000554860797 1041460624 /nfs/dbraw/zinc/46/06/24/1041460624.db2.gz GFNOMNNKEMDYSN-HNNXBMFYSA-N 0 3 329.403 4.177 20 30 EIEDHN C[C@H](c1ccc(Cl)cc1)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000538734358 1041503291 /nfs/dbraw/zinc/50/32/91/1041503291.db2.gz STUVGKPNIODOCS-MRXNPFEDSA-N 0 3 333.907 4.349 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC000538794853 1041538201 /nfs/dbraw/zinc/53/82/01/1041538201.db2.gz WRAVZKRPYYTXFW-IRXDYDNUSA-N 0 3 335.875 4.153 20 30 EIEDHN COc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)c(C(F)(F)F)c1 ZINC000516605978 1041664559 /nfs/dbraw/zinc/66/45/59/1041664559.db2.gz ZXQHAXSTSNHXBD-GOSISDBHSA-N 0 3 346.352 4.363 20 30 EIEDHN C=C(C)COCCN[C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000540988839 1041768360 /nfs/dbraw/zinc/76/83/60/1041768360.db2.gz JEIOFSMUNQQSPY-HNNXBMFYSA-N 0 3 333.419 4.292 20 30 EIEDHN C[C@H](CN(Cc1ccc(C#N)cc1Cl)[C@@H](C)CO)c1ccccc1 ZINC000517108796 1041873056 /nfs/dbraw/zinc/87/30/56/1041873056.db2.gz YNZSVMZILPFDTC-CVEARBPZSA-N 0 3 342.870 4.198 20 30 EIEDHN Cc1cccc(OCCN(C)Cc2cccc(OCCCC#N)c2)c1 ZINC000506153492 1041944650 /nfs/dbraw/zinc/94/46/50/1041944650.db2.gz PVJQXYKHLXLWPB-UHFFFAOYSA-N 0 3 338.451 4.188 20 30 EIEDHN CCCCCOc1cc(CN2CCC(CC#N)CC2)ccc1OC ZINC000541921024 1042174598 /nfs/dbraw/zinc/17/45/98/1042174598.db2.gz UJLVRGPQVRFFTJ-UHFFFAOYSA-N 0 3 330.472 4.390 20 30 EIEDHN C=CCc1cc(CN(CC)[C@H](C)c2cccc(O)c2)cc(OC)c1O ZINC000509558491 1042379089 /nfs/dbraw/zinc/37/90/89/1042379089.db2.gz PQOKUPSPVRAYEK-OAHLLOKOSA-N 0 3 341.451 4.418 20 30 EIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2ccccc2CO)cc1 ZINC000151811932 1042502473 /nfs/dbraw/zinc/50/24/73/1042502473.db2.gz DWFVOWHZAAOULW-OAHLLOKOSA-N 0 3 331.843 4.161 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000518512953 1042556822 /nfs/dbraw/zinc/55/68/22/1042556822.db2.gz HYLVOFFCMDPOES-UHFFFAOYSA-N 0 3 342.270 4.155 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2ccc(F)cc2s1 ZINC000613286943 1042689169 /nfs/dbraw/zinc/68/91/69/1042689169.db2.gz WDZPSWOUVNHTMF-ZDUSSCGKSA-N 0 3 349.390 4.417 20 30 EIEDHN Cc1cc(CNCc2ccc(Br)cc2C)ccc1C#N ZINC000443966385 1042702422 /nfs/dbraw/zinc/70/24/22/1042702422.db2.gz XPFWYPIAWNOORT-UHFFFAOYSA-N 0 3 329.241 4.227 20 30 EIEDHN CN(CCCC(C)(C)C#N)Cc1cc(Br)ccc1F ZINC000174835352 1042715610 /nfs/dbraw/zinc/71/56/10/1042715610.db2.gz WIHCDQPZEUFMFO-UHFFFAOYSA-N 0 3 327.241 4.350 20 30 EIEDHN CCCC[C@H](C)N(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000519035667 1042798497 /nfs/dbraw/zinc/79/84/97/1042798497.db2.gz BGYWEIIXGIGEEJ-KRWDZBQOSA-N 0 3 329.488 4.061 20 30 EIEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000322985575 1042838947 /nfs/dbraw/zinc/83/89/47/1042838947.db2.gz XFZPTLQBVRVUMU-BHIYHBOVSA-N 0 3 332.875 4.117 20 30 EIEDHN CC[C@H](C)CN(CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000177852044 1042852557 /nfs/dbraw/zinc/85/25/57/1042852557.db2.gz BQOBZOZFKZJPKZ-HOTGVXAUSA-N 0 3 347.528 4.245 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)NC(C)(C)c1cccs1 ZINC000543506422 1043172180 /nfs/dbraw/zinc/17/21/80/1043172180.db2.gz RRNLKUVGWPWSSM-CQSZACIVSA-N 0 3 348.537 4.238 20 30 EIEDHN C=CC[C@H](C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1 ZINC000427772513 1043194865 /nfs/dbraw/zinc/19/48/65/1043194865.db2.gz VJNAABVSXBYDPI-COPCDDAFSA-N 0 3 348.490 4.126 20 30 EIEDHN COc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1OC1CCCC1 ZINC000185824514 1043221795 /nfs/dbraw/zinc/22/17/95/1043221795.db2.gz NHCJIUORTBDOTN-RDJZCZTQSA-N 0 3 328.456 4.189 20 30 EIEDHN C=CCC[C@H](C(=O)NCc1ccccc1CN(C)C)c1ccccc1 ZINC000188890557 1043381283 /nfs/dbraw/zinc/38/12/83/1043381283.db2.gz DLNKRCWZKDZXOF-NRFANRHFSA-N 0 3 336.479 4.114 20 30 EIEDHN N#Cc1cccc(CN(CCc2ccccc2)Cc2cccnc2)c1 ZINC000171146918 1043460948 /nfs/dbraw/zinc/46/09/48/1043460948.db2.gz ZPQYNCMYGSDVNG-UHFFFAOYSA-N 0 3 327.431 4.198 20 30 EIEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000176527631 1043499598 /nfs/dbraw/zinc/49/95/98/1043499598.db2.gz BWEXKDFYZAZMDE-CYBMUJFWSA-N 0 3 338.379 4.005 20 30 EIEDHN Clc1ccc([C@@H]2OCC[C@H]2NCC#Cc2cccc(Cl)c2)cc1 ZINC000494478470 1043510465 /nfs/dbraw/zinc/51/04/65/1043510465.db2.gz VTRZPSUENFYUJN-MOPGFXCFSA-N 0 3 346.257 4.465 20 30 EIEDHN C=CCc1cc(CNCc2ccc(OC)c(Cl)c2)cc(OC)c1O ZINC000132223490 1043534496 /nfs/dbraw/zinc/53/44/96/1043534496.db2.gz UMIBPZQGFVIDON-UHFFFAOYSA-N 0 3 347.842 4.081 20 30 EIEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H](CCO)c1ccccc1 ZINC000521321824 1043709626 /nfs/dbraw/zinc/70/96/26/1043709626.db2.gz JPSCYTYXLVOENT-GOSISDBHSA-N 0 3 348.368 4.133 20 30 EIEDHN Cc1nc(COc2ccc(CNCc3cccc(C#N)c3)cc2)cs1 ZINC000066972006 1043838423 /nfs/dbraw/zinc/83/84/23/1043838423.db2.gz GUKLNXBIUAKNAF-UHFFFAOYSA-N 0 3 349.459 4.192 20 30 EIEDHN N#C[C@@H]1CC[C@@H](N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)C1 ZINC000442827950 1043851420 /nfs/dbraw/zinc/85/14/20/1043851420.db2.gz QKYNQNKRCVZSIF-SZVBFZGTSA-N 0 3 325.843 4.301 20 30 EIEDHN C=CCOc1ccc(CN[C@H](c2cnn(C)c2)C(C)C)cc1Cl ZINC000922893867 1043890420 /nfs/dbraw/zinc/89/04/20/1043890420.db2.gz JISGMZLSVSFLNR-SFHVURJKSA-N 0 3 333.863 4.125 20 30 EIEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000011047456 1043944044 /nfs/dbraw/zinc/94/40/44/1043944044.db2.gz WGHHVHPFHUUAOK-SUMWQHHRSA-N 0 3 341.842 4.280 20 30 EIEDHN C=CCc1cc(CN2CCc3sccc3[C@H]2C)c(O)c(OC)c1 ZINC000732526587 1043945885 /nfs/dbraw/zinc/94/58/85/1043945885.db2.gz IUESIIYWUMDGTD-CYBMUJFWSA-N 0 3 329.465 4.310 20 30 EIEDHN COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(CC#N)cc2)c1 ZINC000543139990 1043957418 /nfs/dbraw/zinc/95/74/18/1043957418.db2.gz HFADVWJKUWMFQL-FQEVSTJZSA-N 0 3 336.435 4.107 20 30 EIEDHN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1Br ZINC000174428895 1044272648 /nfs/dbraw/zinc/27/26/48/1044272648.db2.gz URXXTELIRSQJQQ-GFCCVEGCSA-N 0 3 345.240 4.180 20 30 EIEDHN C=CC[C@H](NCc1ccc(OC)c(OCC(=C)C)c1)c1ccncc1 ZINC000734510426 1044592760 /nfs/dbraw/zinc/59/27/60/1044592760.db2.gz UWWDQHDWHVOQCN-IBGZPJMESA-N 0 3 338.451 4.452 20 30 EIEDHN Cc1cnn(C)c1CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367144876 1044630722 /nfs/dbraw/zinc/63/07/22/1044630722.db2.gz QBJWLXLESAJOLL-INIZCTEOSA-N 0 3 330.435 4.118 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc3c(c2)COC3)cc1Cl ZINC000676240079 1044688282 /nfs/dbraw/zinc/68/82/82/1044688282.db2.gz XANIMJPZXMRFEM-UHFFFAOYSA-N 0 3 329.827 4.225 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2c(s1)CCCC2 ZINC000123439542 1044717754 /nfs/dbraw/zinc/71/77/54/1044717754.db2.gz BFAVPFLBLVICRO-CYBMUJFWSA-N 0 3 335.432 4.004 20 30 EIEDHN N#CC(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc2ccccc2n1 ZINC000734964048 1044718144 /nfs/dbraw/zinc/71/81/44/1044718144.db2.gz ROXNWLGAHONIQE-ILXRZTDVSA-N 0 3 348.352 4.493 20 30 EIEDHN C=CCN(CCc1ccco1)Cc1ccccc1OCc1ccncc1 ZINC000495169447 1044744654 /nfs/dbraw/zinc/74/46/54/1044744654.db2.gz XKEXWMZWYANUHJ-UHFFFAOYSA-N 0 3 348.446 4.484 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(COC)cc2)c([O-])c1 ZINC000914773473 1044762619 /nfs/dbraw/zinc/76/26/19/1044762619.db2.gz IUMKYWIQEGFYMY-KGENOOAVSA-N 0 3 326.440 4.004 20 30 EIEDHN C=CCN(CCc1ccco1)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000495184176 1044762670 /nfs/dbraw/zinc/76/26/70/1044762670.db2.gz NNEDKYMLKJFKCR-UHFFFAOYSA-N 0 3 335.831 4.181 20 30 EIEDHN C[C@@H]1SCCN(Cc2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 ZINC000735673788 1044857500 /nfs/dbraw/zinc/85/75/00/1044857500.db2.gz HBPOIQSYBYINES-JXFKEZNVSA-N 0 3 338.476 4.268 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc(OC(C)C)c3)nc21 ZINC000735793476 1044867831 /nfs/dbraw/zinc/86/78/31/1044867831.db2.gz TVXLAIOITVFFAU-QGZVFWFLSA-N 0 3 347.418 4.078 20 30 EIEDHN C[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)c1cccs1 ZINC000739180584 1045120392 /nfs/dbraw/zinc/12/03/92/1045120392.db2.gz KIZQIGIPIPFNLN-ONGXEEELSA-N 0 3 330.409 4.477 20 30 EIEDHN CC(C)C[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000542557619 1045122783 /nfs/dbraw/zinc/12/27/83/1045122783.db2.gz RSHXNNPCPCPCLX-HOTGVXAUSA-N 0 3 347.528 4.156 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2cccc(-c3ccccc3)c2)CC1 ZINC000495511713 1045170017 /nfs/dbraw/zinc/17/00/17/1045170017.db2.gz DYTGCDBMRIYIKQ-UHFFFAOYSA-N 0 3 335.451 4.126 20 30 EIEDHN N#Cc1ccc(-c2cccc(CNCc3n[nH]c4ccccc43)c2)s1 ZINC000740014488 1045180466 /nfs/dbraw/zinc/18/04/66/1045180466.db2.gz QFKRXRWTFXQLCH-UHFFFAOYSA-N 0 3 344.443 4.453 20 30 EIEDHN N#Cc1ccc(-c2cccc(CNCc3[nH]nc4ccccc43)c2)s1 ZINC000740014488 1045180471 /nfs/dbraw/zinc/18/04/71/1045180471.db2.gz QFKRXRWTFXQLCH-UHFFFAOYSA-N 0 3 344.443 4.453 20 30 EIEDHN C=CC[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccncc1 ZINC000766017715 1045180498 /nfs/dbraw/zinc/18/04/98/1045180498.db2.gz CFTRGMNOAKVBQK-HNAYVOBHSA-N 0 3 337.423 4.006 20 30 EIEDHN CC(C)(CCC#N)CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000611264021 1045269588 /nfs/dbraw/zinc/26/95/88/1045269588.db2.gz XZVGSHQLMYVXTN-PHIMTYICSA-N 0 3 330.316 4.379 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000611391997 1045297741 /nfs/dbraw/zinc/29/77/41/1045297741.db2.gz DNXWWMAHXDVDKI-FKBYEOEOSA-N 0 3 332.447 4.446 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](Cn1cccn1)c1ccccc1 ZINC000611393107 1045298409 /nfs/dbraw/zinc/29/84/09/1045298409.db2.gz JQZGHRWAXHWYIS-VXKWHMMOSA-N 0 3 342.446 4.163 20 30 EIEDHN COC(=O)CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611394171 1045299639 /nfs/dbraw/zinc/29/96/39/1045299639.db2.gz OFSAHLHQQYDYST-RTWAWAEBSA-N 0 3 348.446 4.220 20 30 EIEDHN C#CCCOc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1 ZINC000768528085 1045815381 /nfs/dbraw/zinc/81/53/81/1045815381.db2.gz IZYLGROGOTZGQJ-UHFFFAOYSA-N 0 3 335.447 4.132 20 30 EIEDHN C=CCc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(OC)c1OC ZINC000743472781 1045817265 /nfs/dbraw/zinc/81/72/65/1045817265.db2.gz JQUJEHOJUNANHV-HNNXBMFYSA-N 0 3 336.435 4.155 20 30 EIEDHN COCCN(Cc1ccc(O[C@@H](C)C#N)cc1)[C@H](C)c1ccccc1 ZINC000768597276 1045825037 /nfs/dbraw/zinc/82/50/37/1045825037.db2.gz QVIZQVDDOLOCRO-ZWKOTPCHSA-N 0 3 338.451 4.187 20 30 EIEDHN N#CC(C(=O)CCc1ccc(F)cc1F)c1nccc2ccccc21 ZINC000792094729 1045862260 /nfs/dbraw/zinc/86/22/60/1045862260.db2.gz GIFHITAYJUIFFX-QGZVFWFLSA-N 0 3 336.341 4.322 20 30 EIEDHN CC(C)[C@H](C#N)N1CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000614911476 1045941154 /nfs/dbraw/zinc/94/11/54/1045941154.db2.gz MEFOHRQHCHMPRG-VTLFHKLASA-N 0 3 339.527 4.126 20 30 EIEDHN N#Cc1ccccc1OCCN1CCC(c2ccc(F)c(F)c2)CC1 ZINC001170254818 1045974172 /nfs/dbraw/zinc/97/41/72/1045974172.db2.gz XEBVHQURDPILJO-UHFFFAOYSA-N 0 3 342.389 4.095 20 30 EIEDHN C#CCN1CCC(C(=O)Nc2ccccc2SC2CCCC2)CC1 ZINC000067709378 1046004883 /nfs/dbraw/zinc/00/48/83/1046004883.db2.gz ZXVZROIQIQLBJJ-UHFFFAOYSA-N 0 3 342.508 4.005 20 30 EIEDHN CCCCN(CC(=O)OCC)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395449 1046027898 /nfs/dbraw/zinc/02/78/98/1046027898.db2.gz KYOIYISSSXPXDO-UHFFFAOYSA-N 0 3 342.483 4.056 20 30 EIEDHN CCC[C@H](NC[C@@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168510150 1046044208 /nfs/dbraw/zinc/04/42/08/1046044208.db2.gz SRPSUICABSOPSK-RBUKOAKNSA-N 0 3 330.378 4.001 20 30 EIEDHN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@H](O)c1ccc(C#N)cc1 ZINC000769990906 1046123074 /nfs/dbraw/zinc/12/30/74/1046123074.db2.gz PKPQELIDLUFVCP-ROUUACIJSA-N 0 3 348.368 4.183 20 30 EIEDHN N#CC(C(=O)CCc1nc2ccccc2o1)c1ccc2ccccc2n1 ZINC000916849723 1046373511 /nfs/dbraw/zinc/37/35/11/1046373511.db2.gz ZGIHPSSZUXIQKY-HNNXBMFYSA-N 0 3 341.370 4.185 20 30 EIEDHN N#CC(C(=O)C1C2CC3CC(C2)CC1C3)c1ccc2ccccc2n1 ZINC000916848733 1046374023 /nfs/dbraw/zinc/37/40/23/1046374023.db2.gz PDOXMZJAYKAQQA-XJEJZOBISA-N 0 3 330.431 4.483 20 30 EIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000771579400 1046448525 /nfs/dbraw/zinc/44/85/25/1046448525.db2.gz XCFIMKRLEGUCKB-IBGZPJMESA-N 0 3 331.843 4.070 20 30 EIEDHN C=CCN(Cc1cccs1)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000916988147 1046527430 /nfs/dbraw/zinc/52/74/30/1046527430.db2.gz AZMCKSKYYPLFJN-INIZCTEOSA-N 0 3 341.398 4.489 20 30 EIEDHN COc1ccc(CN(C)Cc2ccc(N3CCCCC3)cc2)cc1C#N ZINC000771935144 1046528323 /nfs/dbraw/zinc/52/83/23/1046528323.db2.gz KKYPKAGJKHIXES-UHFFFAOYSA-N 0 3 349.478 4.189 20 30 EIEDHN N#Cc1ccc2ncc(CN(Cc3cccc(F)c3)C3CCCC3)n2c1 ZINC000508764851 1046543712 /nfs/dbraw/zinc/54/37/12/1046543712.db2.gz OIHUOVZHCYHEGF-UHFFFAOYSA-N 0 3 348.425 4.290 20 30 EIEDHN CC[C@H]1CC(NCC2(C#N)CCC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170458027 1046638136 /nfs/dbraw/zinc/63/81/36/1046638136.db2.gz FMDAQGKBJTZHGU-IRXDYDNUSA-N 0 3 349.519 4.227 20 30 EIEDHN N#C[C@@H]1CCC[C@H]1NCCCCOc1cccc(C(F)(F)F)c1 ZINC000459456587 1046690810 /nfs/dbraw/zinc/69/08/10/1046690810.db2.gz CBXCJWLXUDJSCN-XJKSGUPXSA-N 0 3 326.362 4.146 20 30 EIEDHN Cc1ccc(C)c([C@@H]2CCCN2Cc2cnc3ccc(C#N)cn23)c1 ZINC000536694921 1046692439 /nfs/dbraw/zinc/69/24/39/1046692439.db2.gz CWVOCFAQXFCKEB-FQEVSTJZSA-N 0 3 330.435 4.160 20 30 EIEDHN C=CCC[C@H](O)CN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459588718 1046787971 /nfs/dbraw/zinc/78/79/71/1046787971.db2.gz HSYZOJSVYVPYEX-WMLDXEAASA-N 0 3 333.863 4.070 20 30 EIEDHN CC(C)(CC#N)CNCc1cc(Br)ccc1OC(F)F ZINC000459705245 1046856424 /nfs/dbraw/zinc/85/64/24/1046856424.db2.gz XZGRTSZPJMLEQF-UHFFFAOYSA-N 0 3 347.203 4.080 20 30 EIEDHN CC(C)(CC#N)CNCc1cc2ccccc2nc1N1CCCCC1 ZINC000459706223 1046857196 /nfs/dbraw/zinc/85/71/96/1046857196.db2.gz YXSPDDFTORPAPN-UHFFFAOYSA-N 0 3 336.483 4.255 20 30 EIEDHN COc1ccc(C[C@@H](C)CN(C)Cc2cccc(C#N)c2F)cc1 ZINC000537045673 1046912908 /nfs/dbraw/zinc/91/29/08/1046912908.db2.gz WTMNCHALHMPQEZ-OAHLLOKOSA-N 0 3 326.415 4.017 20 30 EIEDHN C[C@H](N[C@@H](C)c1ccccc1-n1cccn1)c1ccc(C#N)c(F)c1 ZINC000537408095 1047199709 /nfs/dbraw/zinc/19/97/09/1047199709.db2.gz VOICOIALQCSHKA-GJZGRUSLSA-N 0 3 334.398 4.295 20 30 EIEDHN C#CCCN[C@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000760297785 1047254073 /nfs/dbraw/zinc/25/40/73/1047254073.db2.gz VWKSHKOJQQDYRN-GOSISDBHSA-N 0 3 344.252 4.160 20 30 EIEDHN C=CCc1cccc(C(C)C)c1NC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000666865926 1047267417 /nfs/dbraw/zinc/26/74/17/1047267417.db2.gz CIWWPMQBOLGZIB-KRWDZBQOSA-N 0 3 329.488 4.096 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000154695127 1047408240 /nfs/dbraw/zinc/40/82/40/1047408240.db2.gz SNYPAZNEXIWWRP-FOIQADDNSA-N 0 3 342.389 4.423 20 30 EIEDHN C=CCN1CCC(NC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)CC1 ZINC000476231101 1047427754 /nfs/dbraw/zinc/42/77/54/1047427754.db2.gz VAUJCDYCNHPUGO-UHFFFAOYSA-N 0 3 344.543 4.140 20 30 EIEDHN C=CCOc1ccc(CNCc2cc(Br)cs2)cc1 ZINC000069710412 1047455069 /nfs/dbraw/zinc/45/50/69/1047455069.db2.gz QUGKZCPGOSQOEH-UHFFFAOYSA-N 0 3 338.270 4.365 20 30 EIEDHN N#Cc1ccc(CNCC2(c3ccc(F)cc3Cl)CC2)c(F)c1 ZINC000498374927 1047610857 /nfs/dbraw/zinc/61/08/57/1047610857.db2.gz OLQKZNLYRUARBA-UHFFFAOYSA-N 0 3 332.781 4.311 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2OCCCC)CC1 ZINC000106322811 1047672196 /nfs/dbraw/zinc/67/21/96/1047672196.db2.gz GDUJUXZQQSPMFU-UHFFFAOYSA-N 0 3 345.487 4.028 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(O[C@@H](C)CC)cc2)CC1 ZINC000106323387 1047672768 /nfs/dbraw/zinc/67/27/68/1047672768.db2.gz TXZSUTUYWMPKCK-INIZCTEOSA-N 0 3 345.487 4.026 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000106315768 1047678461 /nfs/dbraw/zinc/67/84/61/1047678461.db2.gz JLCHNUZTWONWPX-UHFFFAOYSA-N 0 3 342.270 4.155 20 30 EIEDHN N#CCC[C@@H](C#N)CNC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000556483425 1047783443 /nfs/dbraw/zinc/78/34/43/1047783443.db2.gz WGHGKSSTEQMHSH-FXAWDEMLSA-N 0 3 342.446 4.333 20 30 EIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1CN(C)C ZINC000556709072 1047883338 /nfs/dbraw/zinc/88/33/38/1047883338.db2.gz UUMURDFIPRJHCV-UHFFFAOYSA-N 0 3 348.899 4.292 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC000814249113 1047917459 /nfs/dbraw/zinc/91/74/59/1047917459.db2.gz IXUYUHZDGVXWQM-CVEARBPZSA-N 0 3 349.434 4.317 20 30 EIEDHN C[C@H]1C(N=Nc2cnnc3ccccc23)CCCN1Cc1ccccc1 ZINC000814849366 1048206219 /nfs/dbraw/zinc/20/62/19/1048206219.db2.gz RTJRZCKIIRWFDD-INIZCTEOSA-N 0 3 345.450 4.082 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCSC(C)(C)C)cc1 ZINC000155130102 1048300406 /nfs/dbraw/zinc/30/04/06/1048300406.db2.gz DLSMPUATUPUNNL-INIZCTEOSA-N 0 3 346.496 4.208 20 30 EIEDHN N#CC(CCN1C[C@H]2[C@@H](C1)C2(F)F)(c1ccccc1)c1ccccc1 ZINC000844458891 1048349293 /nfs/dbraw/zinc/34/92/93/1048349293.db2.gz PMVFSTMOUVKXHJ-KDURUIRLSA-N 0 3 338.401 4.083 20 30 EIEDHN O=C1C=C2CN(Cc3cc(Cl)cc(C(F)(F)F)c3)CCC2S1 ZINC001143992069 1048353638 /nfs/dbraw/zinc/35/36/38/1048353638.db2.gz TUWKAWPJGLHBRP-ZDUSSCGKSA-N 0 3 347.789 4.133 20 30 EIEDHN C#Cc1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000809609582 1048417000 /nfs/dbraw/zinc/41/70/00/1048417000.db2.gz GYPCUYALBBVBEG-OAHLLOKOSA-N 0 3 333.410 4.152 20 30 EIEDHN C#Cc1ccc(CNCc2ccc(OC)c(OC3CCCC3)c2)cc1 ZINC000809615278 1048422035 /nfs/dbraw/zinc/42/20/35/1048422035.db2.gz XTGLMOGGDYZIHP-UHFFFAOYSA-N 0 3 335.447 4.288 20 30 EIEDHN CC1(C#N)CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809637586 1048447644 /nfs/dbraw/zinc/44/76/44/1048447644.db2.gz XJLUFTOKRNEUTJ-UHFFFAOYSA-N 0 3 345.490 4.375 20 30 EIEDHN C#C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)C(C)C ZINC000809685464 1048472937 /nfs/dbraw/zinc/47/29/37/1048472937.db2.gz VICMRXZDQSUJNF-LJQANCHMSA-N 0 3 340.854 4.340 20 30 EIEDHN C#C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)C(C)C ZINC000809685463 1048473143 /nfs/dbraw/zinc/47/31/43/1048473143.db2.gz VICMRXZDQSUJNF-IBGZPJMESA-N 0 3 340.854 4.340 20 30 EIEDHN N#Cc1ccc(CN(CCc2ccccc2)Cc2ccccc2)nc1 ZINC001144163300 1048476189 /nfs/dbraw/zinc/47/61/89/1048476189.db2.gz ADHHTGDVLGUFNS-UHFFFAOYSA-N 0 3 327.431 4.198 20 30 EIEDHN C=CCSc1nc2ccccc2n1CN1CC[C@]2(CC2(F)F)C1 ZINC000844756956 1048489960 /nfs/dbraw/zinc/48/99/60/1048489960.db2.gz CVIMUCAMJJKAEB-INIZCTEOSA-N 0 3 335.423 4.003 20 30 EIEDHN C[C@H](c1ccccc1)[N@@H+]1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000920173965 1048570916 /nfs/dbraw/zinc/57/09/16/1048570916.db2.gz HYDPHKARPWQBRI-LXQLMVKLSA-N 0 3 328.843 4.300 20 30 EIEDHN C[C@H](c1ccccc1)[N@H+]1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000920173965 1048570933 /nfs/dbraw/zinc/57/09/33/1048570933.db2.gz HYDPHKARPWQBRI-LXQLMVKLSA-N 0 3 328.843 4.300 20 30 EIEDHN CCO[C@H](C(=O)C(C#N)c1ccc2ccccc2n1)c1ccccc1 ZINC000920324966 1048649557 /nfs/dbraw/zinc/64/95/57/1048649557.db2.gz SJMFHGJIIXWWOI-UWJYYQICSA-N 0 3 330.387 4.189 20 30 EIEDHN N=C(Nc1cccc(-n2cccc2)c1)c1ccc2cc(O)ccc2c1 ZINC001171185335 1048682147 /nfs/dbraw/zinc/68/21/47/1048682147.db2.gz VHGGQUURESEGKR-UHFFFAOYSA-N 0 3 327.387 4.373 20 30 EIEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(N2CCCC2=O)cc1 ZINC000810212742 1048682257 /nfs/dbraw/zinc/68/22/57/1048682257.db2.gz WXHJQICGWLONPF-VFNWGFHPSA-N 0 3 345.446 4.023 20 30 EIEDHN CCCc1ccc(CON=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000920485385 1048683016 /nfs/dbraw/zinc/68/30/16/1048683016.db2.gz AZKSVJZGLOGAOD-UHFFFAOYSA-N 0 3 338.451 4.026 20 30 EIEDHN COc1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])ccc1C#N ZINC000810251824 1048728652 /nfs/dbraw/zinc/72/86/52/1048728652.db2.gz YTNURRQEAPKZLK-GFCCVEGCSA-N 0 3 330.815 4.085 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1coc(-c2ccc(F)cc2)n1 ZINC001171201783 1048757088 /nfs/dbraw/zinc/75/70/88/1048757088.db2.gz QZAYMEREJDLGSI-AWEZNQCLSA-N 0 3 335.382 4.073 20 30 EIEDHN CC[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1F ZINC000846043317 1048804821 /nfs/dbraw/zinc/80/48/21/1048804821.db2.gz ADLQZBYTUSNXIE-FQEVSTJZSA-N 0 3 325.431 4.416 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001136048341 1049053701 /nfs/dbraw/zinc/05/37/01/1049053701.db2.gz ZRSAHEMQQYKXIT-UHFFFAOYSA-N 0 3 339.464 4.181 20 30 EIEDHN N#CC(C(=O)Nc1ccccc1Cl)c1nc2cc(F)ccc2s1 ZINC000609627450 1049212872 /nfs/dbraw/zinc/21/28/72/1049212872.db2.gz ZKEGFRQVGMUHKN-JTQLQIEISA-N 0 3 345.786 4.335 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(C)nc2C)c1 ZINC000772985354 1049242504 /nfs/dbraw/zinc/24/25/04/1049242504.db2.gz QZASETMGZQPGSQ-LRDDRELGSA-N 0 3 329.469 4.292 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2sc(C)nc2C)c1 ZINC000772985360 1049244532 /nfs/dbraw/zinc/24/45/32/1049244532.db2.gz QZASETMGZQPGSQ-WBMJQRKESA-N 0 3 329.469 4.292 20 30 EIEDHN C=CCN(CCC(=O)Nc1ccccc1OCC)Cc1cccs1 ZINC000136274321 1049371680 /nfs/dbraw/zinc/37/16/80/1049371680.db2.gz SRXYTXYBLJVFOT-UHFFFAOYSA-N 0 3 344.480 4.164 20 30 EIEDHN C#C[C@H](N[C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000812791936 1049589413 /nfs/dbraw/zinc/58/94/13/1049589413.db2.gz DURBEAPTATXNKQ-DOXZYTNZSA-N 0 3 341.426 4.299 20 30 EIEDHN CC[C@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171590921 1049751767 /nfs/dbraw/zinc/75/17/67/1049751767.db2.gz SGKGCLJIQCWPMZ-PMPSAXMXSA-N 0 3 337.508 4.082 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180029090 1049824573 /nfs/dbraw/zinc/82/45/73/1049824573.db2.gz DTVMRWRAZGQDHB-INIZCTEOSA-N 0 3 331.419 4.014 20 30 EIEDHN Cc1ccccc1[C@H](NCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000180090127 1049841992 /nfs/dbraw/zinc/84/19/92/1049841992.db2.gz RXNXTJOPILUNFF-KRWDZBQOSA-N 0 3 341.480 4.244 20 30 EIEDHN Cc1ccc2c(CN(C)[C@H](C)c3cccc(C#N)c3)cc(=O)oc2c1C ZINC000823616925 1049863284 /nfs/dbraw/zinc/86/32/84/1049863284.db2.gz DRKAFCQBBYIDCA-MRXNPFEDSA-N 0 3 346.430 4.475 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1nc(-c2ccccc2)cs1 ZINC001172301475 1049873268 /nfs/dbraw/zinc/87/32/68/1049873268.db2.gz PISVKVZIIYOYMI-OAHLLOKOSA-N 0 3 333.460 4.403 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@H](c1ccccc1)c1ccccn1 ZINC001172302003 1049873426 /nfs/dbraw/zinc/87/34/26/1049873426.db2.gz BVZUZKYJEAEQJE-HTAPYJJXSA-N 0 3 327.431 4.263 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@@H](c1ncccc1Cl)C1CC1 ZINC001172304022 1049873800 /nfs/dbraw/zinc/87/38/00/1049873800.db2.gz GZQVTVMFCPYWPP-SCLBCKFNSA-N 0 3 325.843 4.279 20 30 EIEDHN COc1ccc(CNC2(c3ccccc3)CC2)cc1OCCCC#N ZINC000068980116 1049948934 /nfs/dbraw/zinc/94/89/34/1049948934.db2.gz FZUSNNFIJDDUPA-UHFFFAOYSA-N 0 3 336.435 4.157 20 30 EIEDHN C[C@H](CSc1ccc(Cl)cc1)NC(=N)c1ccc(Cl)cn1 ZINC001172883384 1050226025 /nfs/dbraw/zinc/22/60/25/1050226025.db2.gz RVXIENWPGATHTO-SNVBAGLBSA-N 0 3 340.279 4.275 20 30 EIEDHN N#CC(Cc1cccs1)C(=O)Nc1ncccc1-c1ccccc1 ZINC001177905420 1050324239 /nfs/dbraw/zinc/32/42/39/1050324239.db2.gz ZJLIFDNDBYDEOQ-HNNXBMFYSA-N 0 3 333.416 4.131 20 30 EIEDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(C#N)(c2ccccc2)CC1 ZINC001173226600 1050357610 /nfs/dbraw/zinc/35/76/10/1050357610.db2.gz MTHVBRQQMJKMCA-QGZVFWFLSA-N 0 3 349.434 4.083 20 30 EIEDHN Cc1cc(C)n(-c2ccccc2CN[C@@H](C)c2cccc(C#N)c2)n1 ZINC000181899431 1050380519 /nfs/dbraw/zinc/38/05/19/1050380519.db2.gz KUYCAVOPLPVADR-KRWDZBQOSA-N 0 3 330.435 4.212 20 30 EIEDHN COc1ccc(-c2nc(CNC3CCC(CC#N)CC3)cs2)cc1 ZINC001173327440 1050417069 /nfs/dbraw/zinc/41/70/69/1050417069.db2.gz BNXFMSGZZREFJR-UHFFFAOYSA-N 0 3 341.480 4.381 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCC1([C@@H]2CCCCO2)CCC1 ZINC001203277001 1050445214 /nfs/dbraw/zinc/44/52/14/1050445214.db2.gz XODARVRBAAQFNS-IBGZPJMESA-N 0 3 347.886 4.181 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(Br)cc1 ZINC000618741697 1050500175 /nfs/dbraw/zinc/50/01/75/1050500175.db2.gz LHMBRMVYHFCWDA-KRWDZBQOSA-N 0 3 327.225 4.098 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(OCC(F)(F)F)c1 ZINC000618741619 1050501290 /nfs/dbraw/zinc/50/12/90/1050501290.db2.gz HQFJXLFGRPLOHH-GOSISDBHSA-N 0 3 346.352 4.276 20 30 EIEDHN C=CC[C@H](CO)NCc1cc(F)ccc1Oc1ccc(SC)cc1 ZINC001178589012 1050502891 /nfs/dbraw/zinc/50/28/91/1050502891.db2.gz AICCFQUGJKBCMF-MRXNPFEDSA-N 0 3 347.455 4.367 20 30 EIEDHN N#Cc1nc(NC[C@@H]2CCCCN2Cc2ccccc2)sc1Cl ZINC001187352725 1050534229 /nfs/dbraw/zinc/53/42/29/1050534229.db2.gz UWNSSWDKAUFYAL-AWEZNQCLSA-N 0 3 346.887 4.135 20 30 EIEDHN C#Cc1cccc(CNCc2ccc(C)c(Br)c2C)c1 ZINC001178949709 1050594938 /nfs/dbraw/zinc/59/49/38/1050594938.db2.gz JAFPYQJTVDXLSQ-UHFFFAOYSA-N 0 3 328.253 4.337 20 30 EIEDHN CN(C)Cc1ccccc1Nc1ccc(N2CCCCC2)c(C#N)c1 ZINC001173931446 1050653444 /nfs/dbraw/zinc/65/34/44/1050653444.db2.gz GOHZYUZULUUPFN-UHFFFAOYSA-N 0 3 334.467 4.354 20 30 EIEDHN C[C@@H](NCc1ccc(SC(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000775157154 1050667892 /nfs/dbraw/zinc/66/78/92/1050667892.db2.gz QSHOODWNAFHMQH-CQSZACIVSA-N 0 3 339.464 4.183 20 30 EIEDHN CC(C)(C#N)c1ccc(CNCc2cc3ccccc3[nH]c2=O)cc1 ZINC001179826142 1050802020 /nfs/dbraw/zinc/80/20/20/1050802020.db2.gz SUAPFMFFDZLHGS-UHFFFAOYSA-N 0 3 331.419 4.031 20 30 EIEDHN C#CCN(Cc1cc(Br)cc(C(F)(F)F)c1)CC1CC1 ZINC001180117153 1050890763 /nfs/dbraw/zinc/89/07/63/1050890763.db2.gz SMYWJPCDXHTHHH-UHFFFAOYSA-N 0 3 346.190 4.313 20 30 EIEDHN C=CCN(CC=C)Cc1cc(C)c(I)cc1C ZINC001180375459 1050975069 /nfs/dbraw/zinc/97/50/69/1050975069.db2.gz QZZHPEDIAXQDME-UHFFFAOYSA-N 0 3 341.236 4.082 20 30 EIEDHN CN(C)[C@@H]1CCOc2c(Nc3ccc(Cl)c(C#N)c3)cccc21 ZINC001174404242 1050976914 /nfs/dbraw/zinc/97/69/14/1050976914.db2.gz JMYUHFGDMWANLD-QGZVFWFLSA-N 0 3 327.815 4.340 20 30 EIEDHN C=C(C)Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC001190232214 1051135438 /nfs/dbraw/zinc/13/54/38/1051135438.db2.gz WEISNYLUWIYTQL-JOCHJYFZSA-N 0 3 348.490 4.372 20 30 EIEDHN N#CC(C(=O)Nc1cccc(F)c1)c1nc(-c2ccccc2)cs1 ZINC000155441083 1051420101 /nfs/dbraw/zinc/42/01/01/1051420101.db2.gz RJYNSPVPUBOHQT-HNNXBMFYSA-N 0 3 337.379 4.195 20 30 EIEDHN COc1ccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000155435197 1051420307 /nfs/dbraw/zinc/42/03/07/1051420307.db2.gz WDQBZGWOCIZGRP-MRXNPFEDSA-N 0 3 349.415 4.065 20 30 EIEDHN CC(C)C[C@@H]1CCCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001191911014 1051575122 /nfs/dbraw/zinc/57/51/22/1051575122.db2.gz WILOLSUKGTYFMI-INIZCTEOSA-N 0 3 333.863 4.051 20 30 EIEDHN COc1cc(C)c(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000774483046 1051610385 /nfs/dbraw/zinc/61/03/85/1051610385.db2.gz JNGKGXOCKFCJGU-UHFFFAOYSA-N 0 3 349.478 4.260 20 30 EIEDHN Cc1oc2ccccc2c1CNCc1ccc(N(C)CCC#N)cc1 ZINC000183914764 1051643885 /nfs/dbraw/zinc/64/38/85/1051643885.db2.gz RECSLZGNFIIPMY-UHFFFAOYSA-N 0 3 333.435 4.381 20 30 EIEDHN C[C@H](c1ccccc1)N1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC001183532971 1051863775 /nfs/dbraw/zinc/86/37/75/1051863775.db2.gz ITROWCXDDZEYDY-LJQANCHMSA-N 0 3 347.506 4.367 20 30 EIEDHN C#CCC1(NCc2cc(Cl)c(C)cc2Br)CCC1 ZINC001176381656 1052027020 /nfs/dbraw/zinc/02/70/20/1052027020.db2.gz QXIGJNKZAOJXRQ-UHFFFAOYSA-N 0 3 326.665 4.447 20 30 EIEDHN C=CCOc1c(Cl)cc(CN[C@H](C)CC(F)(F)F)cc1OC ZINC000623494614 1052665383 /nfs/dbraw/zinc/66/53/83/1052665383.db2.gz XBUDLRKAXSJDPQ-SNVBAGLBSA-N 0 3 337.769 4.344 20 30 EIEDHN C=CCC[C@@H](NCc1ccc(C(=O)OC)c(F)c1)c1ccccc1 ZINC000180038272 1052775463 /nfs/dbraw/zinc/77/54/63/1052775463.db2.gz CPAUDSWHIFWCHJ-LJQANCHMSA-N 0 3 327.399 4.409 20 30 EIEDHN C=CCC[C@H](NCC(=O)N[C@@H](C)c1cccs1)c1ccccc1 ZINC000180047539 1052776234 /nfs/dbraw/zinc/77/62/34/1052776234.db2.gz MBUIEJSIDPDNHV-RDJZCZTQSA-N 0 3 328.481 4.222 20 30 EIEDHN C#Cc1ccc(CNCc2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000850342846 1053125511 /nfs/dbraw/zinc/12/55/11/1053125511.db2.gz NRVLSLXKQHXWPZ-UHFFFAOYSA-N 0 3 336.435 4.305 20 30 EIEDHN CC(C)[C@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)N1CCCCC1 ZINC000797570645 1053347306 /nfs/dbraw/zinc/34/73/06/1053347306.db2.gz IRNDFOQQJDRKFT-GOEBONIOSA-N 0 3 347.528 4.127 20 30 EIEDHN COC1(C(=O)C(C#N)c2nccc3ccccc32)CCC(F)(F)CC1 ZINC000850986031 1053396766 /nfs/dbraw/zinc/39/67/66/1053396766.db2.gz MQRXFPICKGLGFB-HNNXBMFYSA-N 0 3 344.361 4.006 20 30 EIEDHN COc1ccc(CNCc2ccc(OCC#N)cc2)cc1C(C)(C)C ZINC000865452931 1053512159 /nfs/dbraw/zinc/51/21/59/1053512159.db2.gz ZODOPMOGXRKJAK-UHFFFAOYSA-N 0 3 338.451 4.185 20 30 EIEDHN CC1(C)C[C@H](N(Cc2ccccc2)Cc2ccc(CC#N)cc2)CO1 ZINC001196083949 1053577133 /nfs/dbraw/zinc/57/71/33/1053577133.db2.gz XPTQPGAFYHQJFJ-NRFANRHFSA-N 0 3 334.463 4.322 20 30 EIEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2ccc(Cl)cn2)ccc1[O-] ZINC000853438224 1053677060 /nfs/dbraw/zinc/67/70/60/1053677060.db2.gz SZLMXWCLMDCLGD-UHFFFAOYSA-N 0 3 346.862 4.119 20 30 EIEDHN COC[C@H](C)N(Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001196646623 1053716159 /nfs/dbraw/zinc/71/61/59/1053716159.db2.gz MUGAEUTZXRKTNC-YCRPNKLZSA-N 0 3 338.426 4.222 20 30 EIEDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000776729981 1053807445 /nfs/dbraw/zinc/80/74/45/1053807445.db2.gz OGGPWEIXXQLVJC-HNNXBMFYSA-N 0 3 325.431 4.394 20 30 EIEDHN CC[C@]1(CCc2ccccc2)CCCN1Cc1nc(C#N)cs1 ZINC001197357773 1053881733 /nfs/dbraw/zinc/88/17/33/1053881733.db2.gz DJFJMTIHYRCDLH-LJQANCHMSA-N 0 3 325.481 4.392 20 30 EIEDHN C=CCCC[C@@H](NCCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC001197378088 1053898222 /nfs/dbraw/zinc/89/82/22/1053898222.db2.gz UTYSQUIIPQMJIY-HXUWFJFHSA-N 0 3 343.492 4.148 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(C)s2)ccc1OC ZINC000113348092 1053923304 /nfs/dbraw/zinc/92/33/04/1053923304.db2.gz ASCIIKGIZJEZPO-HNNXBMFYSA-N 0 3 330.453 4.036 20 30 EIEDHN C=CCc1cc(CNC(C)(C)c2ccc(F)cc2)cc(OC)c1O ZINC000113335143 1053924334 /nfs/dbraw/zinc/92/43/34/1053924334.db2.gz PSTORQJCLGQHJP-UHFFFAOYSA-N 0 3 329.415 4.293 20 30 EIEDHN C[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1cc(Cl)cc(Cl)c1F ZINC001197611844 1053944070 /nfs/dbraw/zinc/94/40/70/1053944070.db2.gz WNVVWXQLAUGVIU-JQWIXIFHSA-N 0 3 345.245 4.228 20 30 EIEDHN CC#CCN1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001197587693 1053948006 /nfs/dbraw/zinc/94/80/06/1053948006.db2.gz DDQXAZYESCCPLU-PKOBYXMFSA-N 0 3 348.531 4.195 20 30 EIEDHN N#CC(C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)c1ccc2ccccc2n1 ZINC000870123980 1054063963 /nfs/dbraw/zinc/06/39/63/1054063963.db2.gz WFTDXRWUAXCOBL-UJJTZGENSA-N 0 3 346.430 4.197 20 30 EIEDHN N#CC(C(=O)c1cnn(CC2CCCC2)c1)c1ccc2ccccc2n1 ZINC000870121454 1054064331 /nfs/dbraw/zinc/06/43/31/1054064331.db2.gz CQTJAPXNWBQGGI-GOSISDBHSA-N 0 3 344.418 4.112 20 30 EIEDHN C[C@]12CN(Cc3ccc(C#N)cc3C(F)(F)F)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001198250833 1054109520 /nfs/dbraw/zinc/10/95/20/1054109520.db2.gz DQGDEDWMQCJBGU-UNQWWWNPSA-N 0 3 332.369 4.221 20 30 EIEDHN COCC1(C(=O)C(C#N)c2nc3ccccc3s2)CCCCC1 ZINC000857009524 1054149960 /nfs/dbraw/zinc/14/99/60/1054149960.db2.gz GTVPPBOLWVFVPY-ZDUSSCGKSA-N 0 3 328.437 4.069 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017337 1054402188 /nfs/dbraw/zinc/40/21/88/1054402188.db2.gz NPKYQVQOYRRTCM-IERDGZPVSA-N 0 3 347.462 4.435 20 30 EIEDHN C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(OCC#N)cc1 ZINC000872129857 1054404330 /nfs/dbraw/zinc/40/43/30/1054404330.db2.gz FNDNKFZRNMYBAF-CHWSQXEVSA-N 0 3 349.356 4.415 20 30 EIEDHN C#C[C@H]1CC[C@H](N[C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000872139746 1054412687 /nfs/dbraw/zinc/41/26/87/1054412687.db2.gz PCIWYTCEKSADNM-JKOKRWQUSA-N 0 3 339.302 4.138 20 30 EIEDHN COc1ccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)cc1C#N ZINC000858382691 1054479451 /nfs/dbraw/zinc/47/94/51/1054479451.db2.gz KMABIYBCNYVIOA-QGZVFWFLSA-N 0 3 330.790 4.136 20 30 EIEDHN C=CCOCc1nn(CC2CC2)c2c1CN(CCCCCCC)CC2 ZINC001201762870 1054901332 /nfs/dbraw/zinc/90/13/32/1054901332.db2.gz YDKLPJVPNCKOKP-UHFFFAOYSA-N 0 3 345.531 4.324 20 30 EIEDHN CCCCCCCN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001201776865 1054917117 /nfs/dbraw/zinc/91/71/17/1054917117.db2.gz OJNQMVDOPWUIMN-NJDAHSKKSA-N 0 3 346.515 4.048 20 30 EIEDHN CCCCCCCCCCN1CCn2cc(CN3CCCC3)nc2C1 ZINC001201874660 1054941655 /nfs/dbraw/zinc/94/16/55/1054941655.db2.gz BRYLXNINXMVVRL-UHFFFAOYSA-N 0 3 346.563 4.435 20 30 EIEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000876673336 1054944344 /nfs/dbraw/zinc/94/43/44/1054944344.db2.gz WBSGBZOBCOAORC-SMDDNHRTSA-N 0 3 348.796 4.085 20 30 EIEDHN CCCCCCCOc1cccc(CN2CC[C@@H](n3cncn3)C2)c1 ZINC000777220500 1054992678 /nfs/dbraw/zinc/99/26/78/1054992678.db2.gz IRBDDAOXDGJECA-LJQANCHMSA-N 0 3 342.487 4.074 20 30 EIEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000877491506 1055063031 /nfs/dbraw/zinc/06/30/31/1055063031.db2.gz KWXWSZLSIRUCOU-WMLDXEAASA-N 0 3 329.806 4.172 20 30 EIEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000877489809 1055064574 /nfs/dbraw/zinc/06/45/74/1055064574.db2.gz SLORITYAWBXSTM-RHSMWYFYSA-N 0 3 329.806 4.172 20 30 EIEDHN N#CCOc1ccc(CN2CCC(Sc3ccccc3)CC2)cc1 ZINC001137121427 1055069632 /nfs/dbraw/zinc/06/96/32/1055069632.db2.gz KVCZSJYRNMKTKO-UHFFFAOYSA-N 0 3 338.476 4.346 20 30 EIEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000339043089 1055103138 /nfs/dbraw/zinc/10/31/38/1055103138.db2.gz NZPYTLHGTYSPFM-WOPDTQHZSA-N 0 3 329.391 4.034 20 30 EIEDHN C=CCC1(NCc2cn(-c3ccc(F)cc3Cl)nn2)CCCCC1 ZINC001202408711 1055160010 /nfs/dbraw/zinc/16/00/10/1055160010.db2.gz RAGQBJVMJOBZLG-UHFFFAOYSA-N 0 3 348.853 4.428 20 30 EIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OCC)c(F)c2)cc1 ZINC000765837503 1055823305 /nfs/dbraw/zinc/82/33/05/1055823305.db2.gz YGPSGWLZWWCQBN-OAHLLOKOSA-N 0 3 327.399 4.087 20 30 EIEDHN N#Cc1ccc(N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000301116174 1055897089 /nfs/dbraw/zinc/89/70/89/1055897089.db2.gz YXQRLFMWXHGHQZ-UHFFFAOYSA-N 0 3 327.431 4.034 20 30 EIEDHN CN(C)[C@@H](CNc1ccc(C(F)(F)F)c(C#N)c1)c1cccs1 ZINC000301733697 1055975461 /nfs/dbraw/zinc/97/54/61/1055975461.db2.gz GEFISGIAETVNCB-AWEZNQCLSA-N 0 3 339.386 4.353 20 30 EIEDHN CC(=O)c1ccc(C#N)c(NC2CCN(Cc3ccccc3C)CC2)c1 ZINC000302081572 1056015751 /nfs/dbraw/zinc/01/57/51/1056015751.db2.gz CHIKYSYGHALWTE-UHFFFAOYSA-N 0 3 347.462 4.146 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OC(F)F ZINC000075755778 1056811316 /nfs/dbraw/zinc/81/13/16/1056811316.db2.gz IWGNYYBANLMBIN-LBPRGKRZSA-N 0 3 332.350 4.019 20 30 EIEDHN Cc1cccc(C2(O)CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1C ZINC000741804641 1058382687 /nfs/dbraw/zinc/38/26/87/1058382687.db2.gz NUQZCVZZOHCACD-GOSISDBHSA-N 0 3 334.463 4.220 20 30 EIEDHN N#CC(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc2ccccc2n1 ZINC000744015054 1059221319 /nfs/dbraw/zinc/22/13/19/1059221319.db2.gz FERNQLRRLFGZBS-OIISXLGYSA-N 0 3 348.352 4.493 20 30 EIEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCC2(CCCCC2)CC1 ZINC001169306683 1060765896 /nfs/dbraw/zinc/76/58/96/1060765896.db2.gz JFWUVIFZAOKPRE-KRWDZBQOSA-N 0 3 339.483 4.322 20 30 EIEDHN N#CC1(c2ccc(N3CCCc4ccc(CN)nc43)cc2)CCCCC1 ZINC001169591519 1060863012 /nfs/dbraw/zinc/86/30/12/1060863012.db2.gz ZVICHXMKSWTVNG-UHFFFAOYSA-N 0 3 346.478 4.350 20 30 EIEDHN CS[C@@H](C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000103330486 1060905904 /nfs/dbraw/zinc/90/59/04/1060905904.db2.gz NZXYEIQNUVQJMQ-JOYOIKCWSA-N 0 3 336.869 4.391 20 30 EIEDHN C=CCc1cc(CNCc2cc(C)ccc2C)cc(OC)c1OC ZINC000729683216 1032132648 /nfs/dbraw/zinc/13/26/48/1032132648.db2.gz GTOLPFQXDBUIRP-UHFFFAOYSA-N 0 3 325.452 4.339 20 30 EIEDHN C=CCc1cc(CN2CCC(OCCC(C)C)CC2)cc(OC)c1O ZINC000179332571 1032558833 /nfs/dbraw/zinc/55/88/33/1032558833.db2.gz BVOKOGARPKPHKK-UHFFFAOYSA-N 0 3 347.499 4.156 20 30 EIEDHN N#Cc1ccc(NC(=O)CN[C@@H](c2ccccc2)C2CCCC2)cc1 ZINC000533386230 1032721016 /nfs/dbraw/zinc/72/10/16/1032721016.db2.gz KUZTWNNNYYZLGF-NRFANRHFSA-N 0 3 333.435 4.018 20 30 EIEDHN COc1ccccc1CN(CCCOc1cccc(C#N)c1)C1CC1 ZINC001167076473 1019533195 /nfs/dbraw/zinc/53/31/95/1019533195.db2.gz HOJHICWCNOIWTA-UHFFFAOYSA-N 0 3 336.435 4.000 20 30 EIEDHN Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(C#N)s2)cc1F ZINC000134814054 1020022342 /nfs/dbraw/zinc/02/23/42/1020022342.db2.gz MSIRGNJEVKUGOJ-LBPRGKRZSA-N 0 3 340.427 4.104 20 30 EIEDHN C#CCN(Cc1ccc(-n2ccnc2)cc1C)[C@H]1CCc2ccccc21 ZINC001167179335 1020488940 /nfs/dbraw/zinc/48/89/40/1020488940.db2.gz ZRPTTYGBJXSETK-QHCPKHFHSA-N 0 3 341.458 4.303 20 30 EIEDHN COc1cccc(CN(Cc2ccc(C#N)cc2OC)CC(C)C)c1 ZINC001167199112 1020534672 /nfs/dbraw/zinc/53/46/72/1020534672.db2.gz DZEPKDSUFARPMU-UHFFFAOYSA-N 0 3 338.451 4.234 20 30 EIEDHN N#Cc1ccccc1CSCCNCc1ccccc1OC(F)F ZINC000608841615 1020874570 /nfs/dbraw/zinc/87/45/70/1020874570.db2.gz OAZNFVGAFYUGBP-UHFFFAOYSA-N 0 3 348.418 4.183 20 30 EIEDHN N#Cc1cnc(N[C@@H](CN2CCCCC2)c2ccccc2)c(Cl)c1 ZINC000610279269 1020929814 /nfs/dbraw/zinc/92/98/14/1020929814.db2.gz ODUFVIIPEIYLQM-SFHVURJKSA-N 0 3 340.858 4.246 20 30 EIEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)c1ccccc1-n1cccn1 ZINC000579986519 1021083890 /nfs/dbraw/zinc/08/38/90/1021083890.db2.gz XEPKSEGISZZAGF-MRXNPFEDSA-N 0 3 335.838 4.228 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(OC(F)F)c(F)c1 ZINC000340490956 1021128429 /nfs/dbraw/zinc/12/84/29/1021128429.db2.gz QXZFZUCVMKEFSP-QGZVFWFLSA-N 0 3 346.352 4.466 20 30 EIEDHN C[C@H](NC[C@]1(C)OCCc2sccc21)c1ccc(C#N)cc1Cl ZINC000580501953 1021791307 /nfs/dbraw/zinc/79/13/07/1021791307.db2.gz WOWDQZDWDFPTIN-SGTLLEGYSA-N 0 3 346.883 4.412 20 30 EIEDHN COc1cc(CN[C@H]2CCCc3c4ccccc4[nH]c32)ccc1C#N ZINC000580767216 1021814549 /nfs/dbraw/zinc/81/45/49/1021814549.db2.gz ZOPTWRCLOKKZJK-IBGZPJMESA-N 0 3 331.419 4.215 20 30 EIEDHN CC(C)(CC#N)CN[C@H]1CCCOc2cc(Br)ccc21 ZINC000414167433 1022013537 /nfs/dbraw/zinc/01/35/37/1022013537.db2.gz PFPYDFWAIAMIAG-AWEZNQCLSA-N 0 3 337.261 4.192 20 30 EIEDHN Cc1nc2ccccc2n1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000279952780 1033027366 /nfs/dbraw/zinc/02/73/66/1033027366.db2.gz ZQGNWZQKBDGVHV-UHFFFAOYSA-N 0 3 330.435 4.054 20 30 EIEDHN O=C1C=C2CN(Cc3ccc(Cl)cc3C(F)(F)F)CCC2S1 ZINC001143502515 1022167083 /nfs/dbraw/zinc/16/70/83/1022167083.db2.gz DOQZDXVKEOPLPU-ZDUSSCGKSA-N 0 3 347.789 4.133 20 30 EIEDHN CCCCNC(=O)c1ccc(CN[C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000278803957 1022611541 /nfs/dbraw/zinc/61/15/41/1022611541.db2.gz RKBYUYRBORNBTF-NRFANRHFSA-N 0 3 349.478 4.329 20 30 EIEDHN C=C(C)COc1cc(CNCc2ccc(OCC)cc2)ccc1OC ZINC000520961147 1022708295 /nfs/dbraw/zinc/70/82/95/1022708295.db2.gz ASLUGCJQNFPIMT-UHFFFAOYSA-N 0 3 341.451 4.339 20 30 EIEDHN N#CCCN(C(=O)CN[C@@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000104700974 1022782906 /nfs/dbraw/zinc/78/29/06/1022782906.db2.gz RFOCYSMYOLQAST-QFIPXVFZSA-N 0 3 347.462 4.064 20 30 EIEDHN Cn1ccc2cccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)c21 ZINC000188777007 1022837143 /nfs/dbraw/zinc/83/71/43/1022837143.db2.gz IXHSZLNAUVFTRO-UHFFFAOYSA-N 0 3 344.462 4.126 20 30 EIEDHN Cc1ccc2[nH]c([C@H]3CCCN(Cc4ccc(F)c(C#N)c4)C3)nc2c1 ZINC000181145498 1022888741 /nfs/dbraw/zinc/88/87/41/1022888741.db2.gz WHAZQBQKLHHEQY-INIZCTEOSA-N 0 3 348.425 4.262 20 30 EIEDHN Cc1ccc2nc([C@H]3CCCN(Cc4ccc(F)c(C#N)c4)C3)[nH]c2c1 ZINC000181145498 1022888745 /nfs/dbraw/zinc/88/87/45/1022888745.db2.gz WHAZQBQKLHHEQY-INIZCTEOSA-N 0 3 348.425 4.262 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000175990449 1022904991 /nfs/dbraw/zinc/90/49/91/1022904991.db2.gz ARZUUGAKPKGGSI-ZDUSSCGKSA-N 0 3 330.378 4.281 20 30 EIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1NCc2ccccc21 ZINC000659248996 1022972399 /nfs/dbraw/zinc/97/23/99/1022972399.db2.gz AQQGUUDITVKGQB-MRXNPFEDSA-N 0 3 346.883 4.151 20 30 EIEDHN CCOc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430584112 1023112719 /nfs/dbraw/zinc/11/27/19/1023112719.db2.gz NYWAFKIESDKVDU-CQSZACIVSA-N 0 3 328.437 4.329 20 30 EIEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc2nc(C)ccc2c1 ZINC000189707589 1023125170 /nfs/dbraw/zinc/12/51/70/1023125170.db2.gz WGIGOOFJHRVFDX-UHFFFAOYSA-N 0 3 345.446 4.064 20 30 EIEDHN N#Cc1csc(CNCC2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000516269412 1023186011 /nfs/dbraw/zinc/18/60/11/1023186011.db2.gz XWUSIAKKTCWFAG-UHFFFAOYSA-N 0 3 331.872 4.270 20 30 EIEDHN C=CCCCCCN(C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001167461607 1023210373 /nfs/dbraw/zinc/21/03/73/1023210373.db2.gz NLXXYMCKGRYLIZ-LJQANCHMSA-N 0 3 328.500 4.395 20 30 EIEDHN N#Cc1csc(CN[C@@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC000414526194 1023251107 /nfs/dbraw/zinc/25/11/07/1023251107.db2.gz KUNFCCRJPJCNRI-IBGZPJMESA-N 0 3 340.492 4.393 20 30 EIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000417364702 1023291281 /nfs/dbraw/zinc/29/12/81/1023291281.db2.gz LOARBXMUPHWJAN-JLTOFOAXSA-N 0 3 337.442 4.492 20 30 EIEDHN C=CCOc1ccc(CN[C@H]2C[C@H](CO)c3ccccc32)cc1Cl ZINC000376956936 1023342239 /nfs/dbraw/zinc/34/22/39/1023342239.db2.gz HYFOUEICDGZLMB-BEFAXECRSA-N 0 3 343.854 4.215 20 30 EIEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000660339458 1023510182 /nfs/dbraw/zinc/51/01/82/1023510182.db2.gz QHBRDGJOKRZTEK-FGTMMUONSA-N 0 3 347.528 4.024 20 30 EIEDHN N#CCCCOc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000418143936 1023557102 /nfs/dbraw/zinc/55/71/02/1023557102.db2.gz JONJBCHBYQVOHK-QFIPXVFZSA-N 0 3 345.446 4.408 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc(-c2ccco2)s1 ZINC000418148513 1023565686 /nfs/dbraw/zinc/56/56/86/1023565686.db2.gz TXJHODCXKNQNGR-QGZVFWFLSA-N 0 3 335.432 4.442 20 30 EIEDHN COc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)ccc1C ZINC000430644062 1023622899 /nfs/dbraw/zinc/62/28/99/1023622899.db2.gz SVJXVDQQNBBRRL-ZDUSSCGKSA-N 0 3 328.437 4.248 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(OC(F)(F)Cl)cc2)n1 ZINC000193801290 1023725915 /nfs/dbraw/zinc/72/59/15/1023725915.db2.gz RFBYVSXSRSLIOO-LLVKDONJSA-N 0 3 342.754 4.110 20 30 EIEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000430745256 1024004806 /nfs/dbraw/zinc/00/48/06/1024004806.db2.gz WLAVAVILNKKOEO-NVXWUHKLSA-N 0 3 346.446 4.118 20 30 EIEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000661118146 1024245794 /nfs/dbraw/zinc/24/57/94/1024245794.db2.gz WZJGDHGQVCUVQB-OCCSQVGLSA-N 0 3 343.496 4.110 20 30 EIEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000661116696 1024248573 /nfs/dbraw/zinc/24/85/73/1024248573.db2.gz ZGHLSJMQLFZIQO-KBPBESRZSA-N 0 3 331.485 4.238 20 30 EIEDHN C[C@H](NCc1ccc(Br)c(F)c1)c1ccc(C#N)cc1 ZINC000091437044 1024268487 /nfs/dbraw/zinc/26/84/87/1024268487.db2.gz URNXVTPVPDNXQT-NSHDSACASA-N 0 3 333.204 4.311 20 30 EIEDHN N#CC1(F)CCN(CC/C=C\c2ccc(Br)cc2)CC1 ZINC000510905259 1024774522 /nfs/dbraw/zinc/77/45/22/1024774522.db2.gz OLAUDZPOVWFAJJ-IWQZZHSRSA-N 0 3 337.236 4.180 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-c3ccc(C)o3)s2)CC1 ZINC000180942971 1024970699 /nfs/dbraw/zinc/97/06/99/1024970699.db2.gz VKNYUVLMQJUPLY-UHFFFAOYSA-N 0 3 344.480 4.087 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000610829644 1025051318 /nfs/dbraw/zinc/05/13/18/1025051318.db2.gz CGOHYWQGKUHGFP-UONOGXRCSA-N 0 3 333.435 4.200 20 30 EIEDHN CC1(C)COc2ccc(C(=O)C(C#N)c3nc4ccccc4s3)cc21 ZINC000584263270 1025090352 /nfs/dbraw/zinc/09/03/52/1025090352.db2.gz NXPWOGOXBYSVCB-CYBMUJFWSA-N 0 3 348.427 4.456 20 30 EIEDHN CC1CCC(N(Cc2ccc(C#N)cc2F)C[C@@H]2CCCO2)CC1 ZINC000215663004 1025204663 /nfs/dbraw/zinc/20/46/63/1025204663.db2.gz KGHXMJSIKRIJEX-PPSBMQLTSA-N 0 3 330.447 4.257 20 30 EIEDHN Cc1ccc([C@H](Cn2ccnc2)N[C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000610998935 1025254213 /nfs/dbraw/zinc/25/42/13/1025254213.db2.gz VXWTUECUSDAQRE-GCJKJVERSA-N 0 3 344.462 4.464 20 30 EIEDHN C=CCCCN1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001167803689 1025254683 /nfs/dbraw/zinc/25/46/83/1025254683.db2.gz DGYBXTXAUFNZBN-UHFFFAOYSA-N 0 3 345.487 4.033 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](c2cccs2)N(C)C)c([O-])c1 ZINC000005227967 1025382325 /nfs/dbraw/zinc/38/23/25/1025382325.db2.gz FJQGLHRBCSUCMQ-UOBPLZBXSA-N 0 3 345.512 4.022 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)c2cccc(Cl)c2)CC1 ZINC000519282544 1025699855 /nfs/dbraw/zinc/69/98/55/1025699855.db2.gz CEOICKIUCWUZLD-SFHVURJKSA-N 0 3 349.906 4.131 20 30 EIEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(-n2cccn2)c(F)c1 ZINC000551239620 1026106456 /nfs/dbraw/zinc/10/64/56/1026106456.db2.gz XIRKJJVSWDAJAG-JLTOFOAXSA-N 0 3 346.409 4.221 20 30 EIEDHN C[C@@H](c1ccccc1Cl)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000506926040 1026528051 /nfs/dbraw/zinc/52/80/51/1026528051.db2.gz CHXKIFDSRYEKOY-INIZCTEOSA-N 0 3 333.907 4.349 20 30 EIEDHN Cc1cc(Br)ccc1CN(C)Cc1ccc(C#N)cc1 ZINC000507252686 1026716626 /nfs/dbraw/zinc/71/66/26/1026716626.db2.gz NKBXRNIVCOKKTI-UHFFFAOYSA-N 0 3 329.241 4.261 20 30 EIEDHN COc1ccc(OC)c(CN(Cc2ccc(C#N)cc2)C(C)(C)C)c1 ZINC000507246782 1026721583 /nfs/dbraw/zinc/72/15/83/1026721583.db2.gz KOLYETFCQVWIPO-UHFFFAOYSA-N 0 3 338.451 4.376 20 30 EIEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000342637886 1026775864 /nfs/dbraw/zinc/77/58/64/1026775864.db2.gz RHBCWPXGOUZPHG-NQIIRXRSSA-N 0 3 336.479 4.031 20 30 EIEDHN C=CCNC(=O)[C@H](C)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000342637885 1026776397 /nfs/dbraw/zinc/77/63/97/1026776397.db2.gz RHBCWPXGOUZPHG-GHTZIAJQSA-N 0 3 336.479 4.031 20 30 EIEDHN CC[C@H](N[C@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C#N)cc1 ZINC000375722361 1026872940 /nfs/dbraw/zinc/87/29/40/1026872940.db2.gz ZYPTWWGAPDMIQG-PMACEKPBSA-N 0 3 333.435 4.097 20 30 EIEDHN Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1cccc(C#N)c1 ZINC000151384855 1026887525 /nfs/dbraw/zinc/88/75/25/1026887525.db2.gz ZLSPMNJBJZGXON-CYBMUJFWSA-N 0 3 334.448 4.236 20 30 EIEDHN C#CCCOc1ccc(CNCc2ccc(C)cc2SC)cc1 ZINC000237432260 1027023303 /nfs/dbraw/zinc/02/33/03/1027023303.db2.gz HASCUNNKNFLZMF-UHFFFAOYSA-N 0 3 325.477 4.409 20 30 EIEDHN N#CCSCCCN1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000074981875 1027031460 /nfs/dbraw/zinc/03/14/60/1027031460.db2.gz XRSRTAMZFBYPTP-CYBMUJFWSA-N 0 3 326.868 4.133 20 30 EIEDHN CN(C)[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)c1ccsc1 ZINC000520243535 1027336071 /nfs/dbraw/zinc/33/60/71/1027336071.db2.gz QYBUHQFOUKAZQU-OAHLLOKOSA-N 0 3 339.386 4.353 20 30 EIEDHN N#Cc1ccccc1CNc1ccnc2ccc(C(F)(F)F)cc21 ZINC001167635816 1027617897 /nfs/dbraw/zinc/61/78/97/1027617897.db2.gz SBIUSKIRRRGCTG-UHFFFAOYSA-N 0 3 327.309 4.159 20 30 EIEDHN CCN(Cc1ccc(OC)cc1)Cc1cccc(OCCCC#N)c1 ZINC000179327621 1027664170 /nfs/dbraw/zinc/66/41/70/1027664170.db2.gz DLLPQSZGUIDKAN-UHFFFAOYSA-N 0 3 338.451 4.400 20 30 EIEDHN CSc1ccccc1NC(=O)[C@H](C)N[C@H]1CCC(=O)NC12CCC2 ZINC000328691825 1027794627 /nfs/dbraw/zinc/79/46/27/1027794627.db2.gz IYLWODPHPRKYES-WFASDCNBSA-N 0 3 347.484 4.016 20 30 EIEDHN COc1cc(CN[C@H](c2ccc(F)c(F)c2)C(C)C)ccc1C#N ZINC000573143936 1027863905 /nfs/dbraw/zinc/86/39/05/1027863905.db2.gz HRUBUKOFOLIHEG-IBGZPJMESA-N 0 3 330.378 4.332 20 30 EIEDHN C[C@@H]1C[C@H](NC(=O)C2CCC(NC(=O)C(C)(C)C)CC2)CN1C1CC1 ZINC000329865639 1028143016 /nfs/dbraw/zinc/14/30/16/1028143016.db2.gz UIIYBCAUBCHTPH-LMPOIIKSSA-N 0 3 349.519 4.130 20 30 EIEDHN CSc1nc(CN2CCC[C@@H]2Cc2ccc(F)cc2)ccc1C#N ZINC001141948084 1028152014 /nfs/dbraw/zinc/15/20/14/1028152014.db2.gz MKWUDJUYWWPRTA-GOSISDBHSA-N 0 3 341.455 4.021 20 30 EIEDHN COc1ccc(CNCc2ccc(C#N)c(C)c2)c(C(F)(F)F)c1 ZINC000443971647 1028216648 /nfs/dbraw/zinc/21/66/48/1028216648.db2.gz VBZCPUKAEGPWOI-UHFFFAOYSA-N 0 3 334.341 4.184 20 30 EIEDHN CCN1CCN(c2ccc(N[C@@H](C#N)C3CCCCC3)c(C)c2)CC1 ZINC000523740213 1028346798 /nfs/dbraw/zinc/34/67/98/1028346798.db2.gz AFTDKMWIIWHWFL-NRFANRHFSA-N 0 3 340.515 4.021 20 30 EIEDHN C=C(C)CCC(=O)N(CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001125682556 1028894255 /nfs/dbraw/zinc/89/42/55/1028894255.db2.gz OVVUDEDUPVSEDI-HXUWFJFHSA-N 0 3 328.500 4.246 20 30 EIEDHN C[C@@H]1SCCN(CCOc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000522837410 1028988141 /nfs/dbraw/zinc/98/81/41/1028988141.db2.gz YQJPLBBJSGMYIR-OXJNMPFZSA-N 0 3 338.476 4.116 20 30 EIEDHN COc1cccc([C@@H](C)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000079413851 1029559453 /nfs/dbraw/zinc/55/94/53/1029559453.db2.gz XCDKQTVCGLMESN-MRXNPFEDSA-N 0 3 336.435 4.171 20 30 EIEDHN COCCN(Cc1cc2ccccc2s1)Cc1ccc(C#N)cc1 ZINC000508572885 1029575361 /nfs/dbraw/zinc/57/53/61/1029575361.db2.gz XZYCFCSKUAVJFW-UHFFFAOYSA-N 0 3 336.460 4.422 20 30 EIEDHN CN(CC#Cc1ccc(F)cc1)CCCc1cc(-c2ccccc2)no1 ZINC000446844118 1029608421 /nfs/dbraw/zinc/60/84/21/1029608421.db2.gz RPGLTOMUGZTION-UHFFFAOYSA-N 0 3 348.421 4.397 20 30 EIEDHN CC[C@H](N[C@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000278652028 1029647882 /nfs/dbraw/zinc/64/78/82/1029647882.db2.gz ICQOMYCJAIWQBL-NTDBCUBYSA-N 0 3 326.465 4.098 20 30 EIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)CC(C)C ZINC000450748395 1029952733 /nfs/dbraw/zinc/95/27/33/1029952733.db2.gz WTBMUMGBJVWOBC-MRXNPFEDSA-N 0 3 336.549 4.019 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN[C@H]3CCC[C@H]3c3ccccc3)o2)c1 ZINC000525837827 1030057513 /nfs/dbraw/zinc/05/75/13/1030057513.db2.gz ZEIDZVVRXGNXCU-OALUTQOASA-N 0 3 344.418 4.034 20 30 EIEDHN CC1(C#N)CCC(NCc2nccn2CCCc2ccccc2)CC1 ZINC000451138154 1030267194 /nfs/dbraw/zinc/26/71/94/1030267194.db2.gz AIYXKLRKONTMOF-UHFFFAOYSA-N 0 3 336.483 4.078 20 30 EIEDHN Cc1ccc2nccc(N3CCC(Oc4ccc(C#N)cc4)CC3)c2c1 ZINC000530428574 1030394123 /nfs/dbraw/zinc/39/41/23/1030394123.db2.gz YXZUFVKRZCJAPT-UHFFFAOYSA-N 0 3 343.430 4.463 20 30 EIEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000451672621 1030637175 /nfs/dbraw/zinc/63/71/75/1030637175.db2.gz INUXQIHUCIQKJR-MOPGFXCFSA-N 0 3 344.499 4.195 20 30 EIEDHN C=C(C)[C@H](N[C@H](COC)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000657983344 1030743568 /nfs/dbraw/zinc/74/35/68/1030743568.db2.gz SMHYQLJXIPACTA-LPHOPBHVSA-N 0 3 339.426 4.003 20 30 EIEDHN N#Cc1ccc(C2(NCc3ccc(F)c(Cl)c3)CCOCC2)cc1 ZINC000527812372 1030856999 /nfs/dbraw/zinc/85/69/99/1030856999.db2.gz SDRPMXVRMJRBRP-UHFFFAOYSA-N 0 3 344.817 4.146 20 30 EIEDHN N#CC(C(=O)c1cccc([C@H]2CCOC2)c1)c1nc(C2CC2)cs1 ZINC000647378558 1030896905 /nfs/dbraw/zinc/89/69/05/1030896905.db2.gz FRDNGODRJPZFRB-HOTGVXAUSA-N 0 3 338.432 4.014 20 30 EIEDHN CC1(C)COc2ccc(C(=O)C(C#N)c3nc(C4CC4)cs3)cc21 ZINC000647379810 1030910223 /nfs/dbraw/zinc/91/02/23/1030910223.db2.gz ORQWXTXBOZFIQI-ZDUSSCGKSA-N 0 3 338.432 4.181 20 30 EIEDHN CN(C)C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528012282 1031038808 /nfs/dbraw/zinc/03/88/08/1031038808.db2.gz SNYYRYCZYLRRRU-MRRJBJDNSA-N 0 3 340.298 4.268 20 30 EIEDHN COCCN(Cc1c(C)oc2ccccc21)Cc1ccc(C#N)cc1 ZINC000351596953 1031043305 /nfs/dbraw/zinc/04/33/05/1031043305.db2.gz HFDQFLXBQDKJMX-UHFFFAOYSA-N 0 3 334.419 4.262 20 30 EIEDHN CSc1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000237327600 1031105096 /nfs/dbraw/zinc/10/50/96/1031105096.db2.gz SRILJZVHVXNTEI-UHFFFAOYSA-N 0 3 326.465 4.381 20 30 EIEDHN CCC(CC)[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000179790097 1031285826 /nfs/dbraw/zinc/28/58/26/1031285826.db2.gz NZFGSBCGMVFASE-SFHVURJKSA-N 0 3 341.480 4.325 20 30 EIEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000528924543 1031949876 /nfs/dbraw/zinc/94/98/76/1031949876.db2.gz OHXSSHLKHGYEEY-WLVIATGPSA-N 0 3 348.855 4.185 20 30 EIEDHN Cc1cc(CN[C@H](c2ccccc2)C2(CO)CCCC2)ccc1C#N ZINC000453624951 1032037568 /nfs/dbraw/zinc/03/75/68/1032037568.db2.gz YKVKYTLKTLFMIP-OAQYLSRUSA-N 0 3 334.463 4.250 20 30 EIEDHN C=CCN(CCC(=O)Nc1cccc(F)c1C)Cc1cccs1 ZINC000432944046 1033451035 /nfs/dbraw/zinc/45/10/35/1033451035.db2.gz PXKUARKOVUMSBT-UHFFFAOYSA-N 0 3 332.444 4.212 20 30 EIEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000512613560 1033496765 /nfs/dbraw/zinc/49/67/65/1033496765.db2.gz SIXMWOHCAGRIFC-NQCMUKECSA-N 0 3 330.378 4.263 20 30 EIEDHN C=CCc1cc(CNCc2ccc(CSC)cc2)cc(OC)c1O ZINC000512972544 1034264570 /nfs/dbraw/zinc/26/45/70/1034264570.db2.gz UBSZLAJXIKEQNS-UHFFFAOYSA-N 0 3 343.492 4.282 20 30 EIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1ccc(C#N)cc1F ZINC000513059014 1034381978 /nfs/dbraw/zinc/38/19/78/1034381978.db2.gz VBIINWGHYOABGF-DUXKGJEZSA-N 0 3 338.426 4.138 20 30 EIEDHN Cc1cc(C#N)ccc1CN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000614402785 1034551160 /nfs/dbraw/zinc/55/11/60/1034551160.db2.gz IWOQIPWWGNEXES-UHFFFAOYSA-N 0 3 328.419 4.032 20 30 EIEDHN Cc1cc(C)n(-c2ccccc2CN[C@H](C)c2ccc(C#N)cc2)n1 ZINC000151053569 1034629909 /nfs/dbraw/zinc/62/99/09/1034629909.db2.gz QJISEOCOJWQLHN-QGZVFWFLSA-N 0 3 330.435 4.212 20 30 EIEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 ZINC000182586335 1034970615 /nfs/dbraw/zinc/97/06/15/1034970615.db2.gz OQLQQSUBIHPVHY-SUMWQHHRSA-N 0 3 341.842 4.280 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183196296 1035338024 /nfs/dbraw/zinc/33/80/24/1035338024.db2.gz GZVZUANBFAUCIM-ZDUSSCGKSA-N 0 3 348.372 4.172 20 30 EIEDHN N#CCOc1ccc(CNCc2ccc(F)cc2C(F)(F)F)cc1 ZINC000178895727 1035425588 /nfs/dbraw/zinc/42/55/88/1035425588.db2.gz OGKGONZDDZDNJI-UHFFFAOYSA-N 0 3 338.304 4.037 20 30 EIEDHN N#C[C@@H]1CC[C@H](N[C@H]2CSCc3ccc(Br)cc32)C1 ZINC000595075611 1035588778 /nfs/dbraw/zinc/58/87/78/1035588778.db2.gz AOSIHHDEWVODER-DGFSRKRXSA-N 0 3 337.286 4.019 20 30 EIEDHN C[C@@H](N[C@H](C)c1cc2ccccc2s1)C(=O)Nc1cccc(C#N)c1 ZINC000575027126 1035656569 /nfs/dbraw/zinc/65/65/69/1035656569.db2.gz QNASELCOEGUOHI-ZIAGYGMSSA-N 0 3 349.459 4.451 20 30 EIEDHN CC(C)[C@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1F ZINC000595690850 1035766503 /nfs/dbraw/zinc/76/65/03/1035766503.db2.gz IKFGXRVFIXGBSG-KRWDZBQOSA-N 0 3 345.443 4.074 20 30 EIEDHN Cc1cccc(C)c1OCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000054735812 1035832707 /nfs/dbraw/zinc/83/27/07/1035832707.db2.gz UNHSWBOKENUHFF-OAHLLOKOSA-N 0 3 334.375 4.090 20 30 EIEDHN N#CC1(c2ccc(CN3CC=C(c4ccc(O)cc4)CC3)cc2)CC1 ZINC000596980893 1036065554 /nfs/dbraw/zinc/06/55/54/1036065554.db2.gz WHVCSBIYCIBONT-UHFFFAOYSA-N 0 3 330.431 4.237 20 30 EIEDHN COCc1ccc([C@@H]2CCCN2Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000597088702 1036103859 /nfs/dbraw/zinc/10/38/59/1036103859.db2.gz MOAJPXVGMAFFOJ-IBGZPJMESA-N 0 3 336.435 4.318 20 30 EIEDHN N#CC1(c2ccc(CN3CCC4(CC3)C(F)(F)C4(F)F)cc2)CC1 ZINC000597159269 1036134295 /nfs/dbraw/zinc/13/42/95/1036134295.db2.gz WQDUWEWPVVDHJP-UHFFFAOYSA-N 0 3 338.348 4.108 20 30 EIEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(F)cc1C(F)(F)F ZINC000602515593 1036474359 /nfs/dbraw/zinc/47/43/59/1036474359.db2.gz QSKMOCHECSFJRP-GFCCVEGCSA-N 0 3 344.352 4.033 20 30 EIEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@H]1CCSc2c(F)cccc21 ZINC000602512127 1036486859 /nfs/dbraw/zinc/48/68/59/1036486859.db2.gz QDCRGORMAGNNJD-BBRMVZONSA-N 0 3 334.460 4.051 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000602572098 1036500176 /nfs/dbraw/zinc/50/01/76/1036500176.db2.gz TUFFEWKJKVDUJW-IAGOWNOFSA-N 0 3 342.508 4.310 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000602572103 1036500725 /nfs/dbraw/zinc/50/07/25/1036500725.db2.gz TUFFEWKJKVDUJW-SJORKVTESA-N 0 3 342.508 4.310 20 30 EIEDHN C[C@H](CCC#N)CN[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000602586322 1036512273 /nfs/dbraw/zinc/51/22/73/1036512273.db2.gz PUGIWCRTKUDNKE-OXQOHEQNSA-N 0 3 332.451 4.192 20 30 EIEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602791956 1036624715 /nfs/dbraw/zinc/62/47/15/1036624715.db2.gz YVCZIUZPCOAPCM-KRWDZBQOSA-N 0 3 336.483 4.490 20 30 EIEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1F ZINC000588961676 1036626211 /nfs/dbraw/zinc/62/62/11/1036626211.db2.gz SOGGSCGOTMFGJU-NTZNESFSSA-N 0 3 325.225 4.321 20 30 EIEDHN N#CCC1(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000602805717 1036627997 /nfs/dbraw/zinc/62/79/97/1036627997.db2.gz OXMPQMKUKKUPRH-GOSISDBHSA-N 0 3 325.843 4.302 20 30 EIEDHN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cc(C(F)(F)F)c1 ZINC000598973656 1036837237 /nfs/dbraw/zinc/83/72/37/1036837237.db2.gz DZOPOZWKECDXNN-SFHVURJKSA-N 0 3 346.352 4.363 20 30 EIEDHN CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(C(=O)OC)cc1 ZINC000590254482 1037021537 /nfs/dbraw/zinc/02/15/37/1037021537.db2.gz YXWPWPZQEQYLJK-GOSISDBHSA-N 0 3 342.826 4.239 20 30 EIEDHN C[C@H](N[C@@H](C)c1cccc2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000057555292 1037109589 /nfs/dbraw/zinc/10/95/89/1037109589.db2.gz ZNXIHBOKFWTELS-IRXDYDNUSA-N 0 3 349.478 4.222 20 30 EIEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000590750237 1037154139 /nfs/dbraw/zinc/15/41/39/1037154139.db2.gz IFRLERSEWFFMCS-LJQANCHMSA-N 0 3 342.870 4.307 20 30 EIEDHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000604046892 1037164046 /nfs/dbraw/zinc/16/40/46/1037164046.db2.gz CNWNHJHRNYQJIR-ZIAGYGMSSA-N 0 3 341.842 4.198 20 30 EIEDHN CCOc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(Cl)c1O ZINC000590957306 1037213105 /nfs/dbraw/zinc/21/31/05/1037213105.db2.gz BETYKEOAENLITI-LBPRGKRZSA-N 0 3 330.815 4.167 20 30 EIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000591348974 1037390686 /nfs/dbraw/zinc/39/06/86/1037390686.db2.gz VEJIZOSBIZKPNR-SJKOYZFVSA-N 0 3 333.391 4.133 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCC2CCCCC2)CC1 ZINC000604588134 1037449227 /nfs/dbraw/zinc/44/92/27/1037449227.db2.gz QOYOQWFVCSMDOX-KRWDZBQOSA-N 0 3 335.536 4.075 20 30 EIEDHN C=CC[C@H](C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000488704521 1037718031 /nfs/dbraw/zinc/71/80/31/1037718031.db2.gz SHLOECJIGLNMJR-NYVOZVTQSA-N 0 3 348.490 4.298 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592160432 1037766597 /nfs/dbraw/zinc/76/65/97/1037766597.db2.gz TXJZODVHKSTCHW-HNNXBMFYSA-N 0 3 328.456 4.063 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000592303765 1037774609 /nfs/dbraw/zinc/77/46/09/1037774609.db2.gz OIOVBFBIAFULHL-GOSISDBHSA-N 0 3 349.906 4.131 20 30 EIEDHN C=CCn1c(SCCN2CCCCC2)nnc1-c1ccccc1C ZINC000488919119 1037805342 /nfs/dbraw/zinc/80/53/42/1037805342.db2.gz YDWMMKJBWQKPRV-UHFFFAOYSA-N 0 3 342.512 4.018 20 30 EIEDHN Cc1ccc(CN(Cc2cccc(OCCCC#N)c2)CC2CC2)cn1 ZINC000592525407 1037826189 /nfs/dbraw/zinc/82/61/89/1037826189.db2.gz LMIILXPNHLIQEI-UHFFFAOYSA-N 0 3 349.478 4.485 20 30 EIEDHN CC(C)(C#N)c1ccc(CN2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000593055220 1037915707 /nfs/dbraw/zinc/91/57/07/1037915707.db2.gz RRBMBTCXQAQSQE-UHFFFAOYSA-N 0 3 340.364 4.354 20 30 EIEDHN CC(C)(C)[C@@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075747027 1038067506 /nfs/dbraw/zinc/06/75/06/1038067506.db2.gz LHRQYEXCENLANL-QGZVFWFLSA-N 0 3 338.455 4.256 20 30 EIEDHN CCc1ccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)N(C)C)cc1 ZINC000912777903 1038291181 /nfs/dbraw/zinc/29/11/81/1038291181.db2.gz XVRCCSGOOHBAKX-KURUZVKSSA-N 0 3 347.462 4.225 20 30 EIEDHN C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594431569 1038333151 /nfs/dbraw/zinc/33/31/51/1038333151.db2.gz NZJPVWKZDBOSRB-IERDGZPVSA-N 0 3 349.478 4.303 20 30 EIEDHN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594434226 1038333731 /nfs/dbraw/zinc/33/37/31/1038333731.db2.gz XWBZMKDIJDPWKV-UTKZUKDTSA-N 0 3 349.478 4.284 20 30 EIEDHN CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594443846 1038335301 /nfs/dbraw/zinc/33/53/01/1038335301.db2.gz VNPZUMMLZTWHQQ-PMACEKPBSA-N 0 3 341.499 4.275 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000594440422 1038336723 /nfs/dbraw/zinc/33/67/23/1038336723.db2.gz ZDRTYVYNBVZUOU-PMACEKPBSA-N 0 3 341.499 4.226 20 30 EIEDHN CC(C)(C#N)c1ccc(CNCc2ccc(OC3CCCC3)nc2)cc1 ZINC000594495969 1038344847 /nfs/dbraw/zinc/34/48/47/1038344847.db2.gz VTJXKKQINDEZMX-UHFFFAOYSA-N 0 3 349.478 4.494 20 30 EIEDHN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(C(C)(C)C#N)cc1 ZINC000594522430 1038362324 /nfs/dbraw/zinc/36/23/24/1038362324.db2.gz LMRPYEXTKLZTEY-IBGZPJMESA-N 0 3 338.426 4.413 20 30 EIEDHN CCCC(=O)Nc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594920897 1038426485 /nfs/dbraw/zinc/42/64/85/1038426485.db2.gz BPDJBNQHKYUVMJ-UHFFFAOYSA-N 0 3 347.462 4.270 20 30 EIEDHN N#CC1(c2ccc(CNCc3cc(Br)cs3)cc2)CC1 ZINC000594925537 1038429113 /nfs/dbraw/zinc/42/91/13/1038429113.db2.gz NLIYXWGODUYXDB-UHFFFAOYSA-N 0 3 347.281 4.356 20 30 EIEDHN Cc1cccc(C)c1Oc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424102462 1038494748 /nfs/dbraw/zinc/49/47/48/1038494748.db2.gz ONUIWUAFXREXOG-INIZCTEOSA-N 0 3 337.423 4.055 20 30 EIEDHN COc1ccc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)c(C)c1 ZINC000608553054 1038848255 /nfs/dbraw/zinc/84/82/55/1038848255.db2.gz NCYHWIMOUGPKHF-CQSZACIVSA-N 0 3 340.379 4.243 20 30 EIEDHN C=CCc1cc(CN2CC[C@H](C(F)(F)F)C2(C)C)cc(OC)c1O ZINC000470130973 1038899408 /nfs/dbraw/zinc/89/94/08/1038899408.db2.gz FIWMUGRLNLBYLI-HNNXBMFYSA-N 0 3 343.389 4.292 20 30 EIEDHN CCC(CC)[C@H](NCC(=O)Nc1sccc1C#N)c1cccs1 ZINC000539277964 1038909073 /nfs/dbraw/zinc/90/90/73/1038909073.db2.gz YIZAGTNVWSQPRJ-INIZCTEOSA-N 0 3 347.509 4.387 20 30 EIEDHN COc1cc(C#N)ccc1CN(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000481348884 1039333002 /nfs/dbraw/zinc/33/30/02/1039333002.db2.gz QVEUYHOMFSPAHH-FQEVSTJZSA-N 0 3 349.478 4.497 20 30 EIEDHN N#CCCn1cc(CN2CCCC(F)(F)CC2)c(-c2ccccc2)n1 ZINC000600189063 1039350834 /nfs/dbraw/zinc/35/08/34/1039350834.db2.gz RPDCYSLLCKYZML-UHFFFAOYSA-N 0 3 344.409 4.085 20 30 EIEDHN C=CCOc1ccc(CN(C)[C@H](C)c2cccc(O)c2)cc1OC ZINC000093315804 1039660024 /nfs/dbraw/zinc/66/00/24/1039660024.db2.gz LHBVBXZJOWUPOU-OAHLLOKOSA-N 0 3 327.424 4.159 20 30 EIEDHN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(O[C@@H](C)C#N)cc1)CCC2 ZINC000093364965 1039667820 /nfs/dbraw/zinc/66/78/20/1039667820.db2.gz NOSRDWFKAONKPL-UGSOOPFHSA-N 0 3 341.480 4.252 20 30 EIEDHN Cc1cccc([C@H]2CCCN2Cc2cccc(OCCCC#N)c2)n1 ZINC000093445091 1039699914 /nfs/dbraw/zinc/69/99/14/1039699914.db2.gz XNDYDZYNIZBLKK-OAQYLSRUSA-N 0 3 335.451 4.410 20 30 EIEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000514232918 1039789077 /nfs/dbraw/zinc/78/90/77/1039789077.db2.gz SEWYFEMTVMVLQM-XIKOKIGWSA-N 0 3 332.806 4.389 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000442675459 1039844873 /nfs/dbraw/zinc/84/48/73/1039844873.db2.gz YTHRIRBWEMXNIW-XMSQKQJNSA-N 0 3 334.463 4.343 20 30 EIEDHN C=CCCOCCN[C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479396952 1040314598 /nfs/dbraw/zinc/31/45/98/1040314598.db2.gz WGGWAGZWXKQOSP-MRXNPFEDSA-N 0 3 342.252 4.222 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(OCC(F)F)cc1 ZINC000425363895 1040334601 /nfs/dbraw/zinc/33/46/01/1040334601.db2.gz DGSULNHLYMCPOK-AWEZNQCLSA-N 0 3 330.378 4.395 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(OCCCC#N)c1 ZINC000425365272 1040338889 /nfs/dbraw/zinc/33/88/89/1040338889.db2.gz JSGQDYQPCUEDCT-QGZVFWFLSA-N 0 3 333.435 4.434 20 30 EIEDHN Cc1ccc2nccc(N(C)CCOCc3ccc(C#N)cc3)c2c1 ZINC000515399947 1040727813 /nfs/dbraw/zinc/72/78/13/1040727813.db2.gz WRECDPJAPUOXGV-UHFFFAOYSA-N 0 3 331.419 4.068 20 30 EIEDHN C[C@H]1CCN(Cc2cc(C#N)n(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483293225 1040800910 /nfs/dbraw/zinc/80/09/10/1040800910.db2.gz IBVSEVPKTYFVJN-SCLBCKFNSA-N 0 3 347.384 4.499 20 30 EIEDHN Clc1cccc(C#CCN[C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000538187536 1041146992 /nfs/dbraw/zinc/14/69/92/1041146992.db2.gz HJGAJGOXSKTFAP-UYAOXDASSA-N 0 3 325.839 4.059 20 30 EIEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)c1ccc(-n2cccn2)cc1 ZINC000540434983 1041465056 /nfs/dbraw/zinc/46/50/56/1041465056.db2.gz AXFBFEBWRAHHPA-INIZCTEOSA-N 0 3 335.838 4.228 20 30 EIEDHN C=CCC[C@H](NCC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000540457685 1041479427 /nfs/dbraw/zinc/47/94/27/1041479427.db2.gz HNSVGNWRRXEHHD-JXFKEZNVSA-N 0 3 340.442 4.300 20 30 EIEDHN N#CCC1CCN([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000541019748 1041783709 /nfs/dbraw/zinc/78/37/09/1041783709.db2.gz JVLFGTHRZJHABY-QGZVFWFLSA-N 0 3 333.273 4.452 20 30 EIEDHN CC(C)C[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cccs1 ZINC000541627649 1042044486 /nfs/dbraw/zinc/04/44/86/1042044486.db2.gz UPGWHYLXVSBZJG-YOEHRIQHSA-N 0 3 341.480 4.324 20 30 EIEDHN CC(C)C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccs1 ZINC000541629347 1042044536 /nfs/dbraw/zinc/04/45/36/1042044536.db2.gz WOLIVPBBRZTFBX-INIZCTEOSA-N 0 3 347.528 4.110 20 30 EIEDHN N#Cc1cc(CN2CCC3(C=Cc4ccccc4O3)CC2)ccc1F ZINC000595878186 1042166918 /nfs/dbraw/zinc/16/69/18/1042166918.db2.gz LTQNUPRHCCMTFF-UHFFFAOYSA-N 0 3 334.394 4.138 20 30 EIEDHN C[C@H](NC[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)cc1F ZINC000541904624 1042171134 /nfs/dbraw/zinc/17/11/34/1042171134.db2.gz DPDDJKJCVVJOEF-ORAYPTAESA-N 0 3 345.849 4.304 20 30 EIEDHN C=CCc1cc(CN(C)[C@@H](C)c2ccc(OC)cc2)cc(OC)c1O ZINC000506326760 1042310912 /nfs/dbraw/zinc/31/09/12/1042310912.db2.gz MWYUBUWLQSAHRU-HNNXBMFYSA-N 0 3 341.451 4.331 20 30 EIEDHN C=CCOc1ccc(CN(C)[C@@H](C)c2ccc(OC)cc2)cc1OC ZINC000506339098 1042332712 /nfs/dbraw/zinc/33/27/12/1042332712.db2.gz FXZSCASPZUGYQQ-INIZCTEOSA-N 0 3 341.451 4.462 20 30 EIEDHN CCCOCc1ccccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271915110 1042519532 /nfs/dbraw/zinc/51/95/32/1042519532.db2.gz GGNLFMIYDGTGKB-HNNXBMFYSA-N 0 3 326.415 4.475 20 30 EIEDHN C=CCN1CCC(Nc2nc(C)nc3scc(CC(C)C)c32)CC1 ZINC000518518352 1042553244 /nfs/dbraw/zinc/55/32/44/1042553244.db2.gz UIWFNBHMRKZPBT-UHFFFAOYSA-N 0 3 344.528 4.261 20 30 EIEDHN CC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000271975873 1042601585 /nfs/dbraw/zinc/60/15/85/1042601585.db2.gz XYCRFIGRCGSVLI-SCLBCKFNSA-N 0 3 340.398 4.270 20 30 EIEDHN C=CCCC[C@@H](C)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439456684 1042639439 /nfs/dbraw/zinc/63/94/39/1042639439.db2.gz ZEOFWZZTPLNLRB-IUODEOHRSA-N 0 3 338.377 4.247 20 30 EIEDHN COc1ccc(C[C@H](C)CN(C)Cc2cc(C#N)ccc2F)cc1 ZINC000536425113 1042851637 /nfs/dbraw/zinc/85/16/37/1042851637.db2.gz AFNDMDOKRHFNTI-HNNXBMFYSA-N 0 3 326.415 4.017 20 30 EIEDHN Cc1cc(Br)cc2c1[C@@H](NCc1cccc(C#N)c1)CC2 ZINC000493843199 1042964758 /nfs/dbraw/zinc/96/47/58/1042964758.db2.gz KKFLRXXTLKTOKE-KRWDZBQOSA-N 0 3 341.252 4.406 20 30 EIEDHN CC(C)OC(=O)C[C@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000184453224 1043097690 /nfs/dbraw/zinc/09/76/90/1043097690.db2.gz JZXGCKQPJYAPKX-QGZVFWFLSA-N 0 3 342.483 4.041 20 30 EIEDHN CC[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)N(CC)CC ZINC000765965038 1043282688 /nfs/dbraw/zinc/28/26/88/1043282688.db2.gz BRXCCNBQVUYFEQ-TZMCWYRMSA-N 0 3 349.887 4.246 20 30 EIEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000494445862 1043487981 /nfs/dbraw/zinc/48/79/81/1043487981.db2.gz SLXAPYXLICLCBC-OSMZGAPFSA-N 0 3 337.286 4.268 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000171639480 1043640641 /nfs/dbraw/zinc/64/06/41/1043640641.db2.gz KEPJCYLYUMSYPG-UHFFFAOYSA-N 0 3 341.480 4.187 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000171740042 1043666138 /nfs/dbraw/zinc/66/61/38/1043666138.db2.gz ODMRZKSGAYIGJI-UHFFFAOYSA-N 0 3 335.451 4.126 20 30 EIEDHN Cc1cc(F)cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000442682551 1043804768 /nfs/dbraw/zinc/80/47/68/1043804768.db2.gz JXBZMXGHPNKIHR-ZDUSSCGKSA-N 0 3 343.308 4.369 20 30 EIEDHN Cc1cc(F)cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000442682549 1043805487 /nfs/dbraw/zinc/80/54/87/1043805487.db2.gz JXBZMXGHPNKIHR-CYBMUJFWSA-N 0 3 343.308 4.369 20 30 EIEDHN N#Cc1ccccc1OCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847789 1043834747 /nfs/dbraw/zinc/83/47/47/1043834747.db2.gz OJLMKXRWZNWFJW-UHFFFAOYSA-N 0 3 336.435 4.087 20 30 EIEDHN N#Cc1ccccc1OCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847789 1043834753 /nfs/dbraw/zinc/83/47/53/1043834753.db2.gz OJLMKXRWZNWFJW-UHFFFAOYSA-N 0 3 336.435 4.087 20 30 EIEDHN CO[C@@H](c1ccccc1)[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000494622083 1043858815 /nfs/dbraw/zinc/85/88/15/1043858815.db2.gz SQXBIROJBAIBRV-HNAYVOBHSA-N 0 3 347.380 4.423 20 30 EIEDHN C=C(C)COc1cc(CNCc2ccc3ncccc3c2)ccc1OC ZINC000192981643 1043987806 /nfs/dbraw/zinc/98/78/06/1043987806.db2.gz KHBDFEQQNWIQKJ-UHFFFAOYSA-N 0 3 348.446 4.488 20 30 EIEDHN CC(C)(NCc1ccc(F)c(C#N)c1)c1ccc(Br)cc1 ZINC000229748761 1044036904 /nfs/dbraw/zinc/03/69/04/1044036904.db2.gz AXQPHLJYLXTICR-UHFFFAOYSA-N 0 3 347.231 4.485 20 30 EIEDHN CC(C)(C)[C@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173760922 1044128635 /nfs/dbraw/zinc/12/86/35/1044128635.db2.gz GOMSQOHXJWCHRE-KRWDZBQOSA-N 0 3 338.455 4.256 20 30 EIEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000733324171 1044185467 /nfs/dbraw/zinc/18/54/67/1044185467.db2.gz LEDLNLVBTPZLFH-CQSZACIVSA-N 0 3 349.352 4.448 20 30 EIEDHN C[C@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC000174311707 1044257241 /nfs/dbraw/zinc/25/72/41/1044257241.db2.gz VDIAPPIWLDGSAB-HNNXBMFYSA-N 0 3 336.435 4.364 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1OC(F)F ZINC000174430893 1044272283 /nfs/dbraw/zinc/27/22/83/1044272283.db2.gz XLZHMGRRFWFRDC-LBPRGKRZSA-N 0 3 332.350 4.019 20 30 EIEDHN CN(CCCCC1(C#N)CCC1)Cc1cc(Br)cn1C ZINC000929832767 1044273714 /nfs/dbraw/zinc/27/37/14/1044273714.db2.gz ULABGMZBSDSARV-UHFFFAOYSA-N 0 3 338.293 4.084 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734096238 1044474274 /nfs/dbraw/zinc/47/42/74/1044474274.db2.gz LJSKRPSMWQMAFC-AGKWGAAGSA-N 0 3 328.843 4.129 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734096238 1044474287 /nfs/dbraw/zinc/47/42/87/1044474287.db2.gz LJSKRPSMWQMAFC-AGKWGAAGSA-N 0 3 328.843 4.129 20 30 EIEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000734079164 1044478063 /nfs/dbraw/zinc/47/80/63/1044478063.db2.gz LRZSJYRXSWXQIC-WBMJQRKESA-N 0 3 332.831 4.204 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC2CCCC2)cc1 ZINC000734079586 1044478142 /nfs/dbraw/zinc/47/81/42/1044478142.db2.gz DIDDGOUZTHRMHD-KDOFPFPSSA-N 0 3 326.440 4.113 20 30 EIEDHN C=CC[C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000494922190 1044520108 /nfs/dbraw/zinc/52/01/08/1044520108.db2.gz OAFBYQAFHCSSCW-FCHUYYIVSA-N 0 3 348.490 4.300 20 30 EIEDHN Cc1c([C@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cnn1C ZINC000494968914 1044564073 /nfs/dbraw/zinc/56/40/73/1044564073.db2.gz LSLRKOGZMMOAEM-HNNXBMFYSA-N 0 3 330.435 4.118 20 30 EIEDHN Cc1c([C@@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cnn1C ZINC000494968920 1044565136 /nfs/dbraw/zinc/56/51/36/1044565136.db2.gz LSLRKOGZMMOAEM-OAHLLOKOSA-N 0 3 330.435 4.118 20 30 EIEDHN C=CC[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000495049217 1044614982 /nfs/dbraw/zinc/61/49/82/1044614982.db2.gz QZBUYRIFGKSAPV-VXKWHMMOSA-N 0 3 348.490 4.127 20 30 EIEDHN C=CC[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000495139934 1044713787 /nfs/dbraw/zinc/71/37/87/1044713787.db2.gz NDOSSRQKOFOATH-SFTDATJTSA-N 0 3 336.479 4.074 20 30 EIEDHN N#Cc1csc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000093841007 1044857941 /nfs/dbraw/zinc/85/79/41/1044857941.db2.gz GNYHESXKWBRLIB-AWEZNQCLSA-N 0 3 343.521 4.335 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc(CC(C)C)cc3)nc21 ZINC000735788292 1044863875 /nfs/dbraw/zinc/86/38/75/1044863875.db2.gz DATJVRORNWUQGV-GOSISDBHSA-N 0 3 345.446 4.489 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc(CC(C)C)cc3)nc21 ZINC000735788293 1044864492 /nfs/dbraw/zinc/86/44/92/1044864492.db2.gz DATJVRORNWUQGV-SFHVURJKSA-N 0 3 345.446 4.489 20 30 EIEDHN N#CC(C(=O)C1=Cc2cc(F)ccc2OC1)c1ccc2ccccc2n1 ZINC000762019530 1044864745 /nfs/dbraw/zinc/86/47/45/1044864745.db2.gz VWCOHNRXXBANRK-QGZVFWFLSA-N 0 3 344.345 4.026 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc4ccccc4c3)nc21 ZINC000735790713 1044866437 /nfs/dbraw/zinc/86/64/37/1044866437.db2.gz PDGXYQOVNMXKOI-SFHVURJKSA-N 0 3 339.398 4.444 20 30 EIEDHN CC(C)CN(Cc1ccc(C#N)cc1F)C[C@@H](O)c1ccc(F)cc1 ZINC000735872359 1044871962 /nfs/dbraw/zinc/87/19/62/1044871962.db2.gz BWWKJIGHXZIRMV-HXUWFJFHSA-N 0 3 344.405 4.028 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2cc(CC)c(CCC)s2)CC1 ZINC000303251317 1044971466 /nfs/dbraw/zinc/97/14/66/1044971466.db2.gz FVETZTNYUGGJFR-UHFFFAOYSA-N 0 3 334.529 4.033 20 30 EIEDHN CCCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](CC)c1ccccc1 ZINC000303657019 1045049134 /nfs/dbraw/zinc/04/91/34/1045049134.db2.gz VOTAIRGRXQBICO-FPOVZHCZSA-N 0 3 343.515 4.294 20 30 EIEDHN CC[C@@H]1CCCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000739926332 1045176183 /nfs/dbraw/zinc/17/61/83/1045176183.db2.gz DEWOJOIDEKACDY-HUUCEWRRSA-N 0 3 341.480 4.127 20 30 EIEDHN N#Cc1ccc(-c2cccc(CNCc3ccc([N+](=O)[O-])cc3)c2)s1 ZINC000740014850 1045180050 /nfs/dbraw/zinc/18/00/50/1045180050.db2.gz WOFIBPCAVMFNSL-UHFFFAOYSA-N 0 3 349.415 4.485 20 30 EIEDHN CSc1cc(C)ccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000153528834 1045203768 /nfs/dbraw/zinc/20/37/68/1045203768.db2.gz GEDGDZMSBSUBFT-OAHLLOKOSA-N 0 3 326.465 4.298 20 30 EIEDHN C=CC[C@H](N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccncc1 ZINC000766021934 1045237107 /nfs/dbraw/zinc/23/71/07/1045237107.db2.gz VOZHIKIRIGCQFT-KSSFIOAISA-N 0 3 335.451 4.279 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(OC2CCCC2)nc1 ZINC000611391058 1045301802 /nfs/dbraw/zinc/30/18/02/1045301802.db2.gz OOJVSAZXHVOVHQ-NRFANRHFSA-N 0 3 347.462 4.442 20 30 EIEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1Cl ZINC000611465924 1045312934 /nfs/dbraw/zinc/31/29/34/1045312934.db2.gz MRWCGGCTVMQXBL-SGTLLEGYSA-N 0 3 332.806 4.389 20 30 EIEDHN C=CCOc1ccccc1CNC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000237887467 1045398167 /nfs/dbraw/zinc/39/81/67/1045398167.db2.gz ROIPVSBDRSCLEJ-LJQANCHMSA-N 0 3 340.467 4.080 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000171740733 1045507845 /nfs/dbraw/zinc/50/78/45/1045507845.db2.gz VZXUBPWHBUTUMW-UHFFFAOYSA-N 0 3 349.478 4.049 20 30 EIEDHN Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000072725795 1045795599 /nfs/dbraw/zinc/79/55/99/1045795599.db2.gz FURHLSBSJFVPMJ-UHFFFAOYSA-N 0 3 330.435 4.062 20 30 EIEDHN Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1F ZINC000073052851 1045802027 /nfs/dbraw/zinc/80/20/27/1045802027.db2.gz FJIUHXNAXFMDQH-UHFFFAOYSA-N 0 3 348.425 4.201 20 30 EIEDHN CN(CCC#N)c1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000249826511 1045903487 /nfs/dbraw/zinc/90/34/87/1045903487.db2.gz QORGCQRFTBIJKO-YADHBBJMSA-N 0 3 349.478 4.046 20 30 EIEDHN C#CCCOc1ccc(CN(C)[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000769403987 1045950603 /nfs/dbraw/zinc/95/06/03/1045950603.db2.gz MEIQURIOFAEXDP-LJQANCHMSA-N 0 3 340.492 4.363 20 30 EIEDHN N#Cc1cccc([C@H](O)CN2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001170289864 1045990398 /nfs/dbraw/zinc/99/03/98/1045990398.db2.gz AJKRXBVSXMUIQG-WOJBJXKFSA-N 0 3 340.854 4.472 20 30 EIEDHN CCCCN(Cc1ccccc1F)C[C@H](O)c1ccc(C#N)cc1 ZINC000763406969 1046134578 /nfs/dbraw/zinc/13/45/78/1046134578.db2.gz JKCFMARMKPPTFO-FQEVSTJZSA-N 0 3 326.415 4.033 20 30 EIEDHN CC(C)[C@@H](COCc1ccccc1)NCc1ccc(C#N)cc1F ZINC000615085955 1046151905 /nfs/dbraw/zinc/15/19/05/1046151905.db2.gz ZYRMGELFKYLYKT-HXUWFJFHSA-N 0 3 326.415 4.028 20 30 EIEDHN C#CCCOc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000770379895 1046188986 /nfs/dbraw/zinc/18/89/86/1046188986.db2.gz LOUUTIRDZLGAIT-UHFFFAOYSA-N 0 3 342.442 4.250 20 30 EIEDHN COc1ccc2c(c1)C[C@H](N(CCC#N)C1CCCCCCC1)C2 ZINC001168275644 1046273147 /nfs/dbraw/zinc/27/31/47/1046273147.db2.gz YTZXNOCMWLGLLI-HXUWFJFHSA-N 0 3 326.484 4.491 20 30 EIEDHN C#CC[C@H](NCc1ccc(SC(=O)N(C)C)cc1)c1ccccc1 ZINC000271759888 1046386062 /nfs/dbraw/zinc/38/60/62/1046386062.db2.gz ZLVONIMGXSABML-IBGZPJMESA-N 0 3 338.476 4.315 20 30 EIEDHN CC1(C)CCc2cc(CN[C@@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000785617112 1046727300 /nfs/dbraw/zinc/72/73/00/1046727300.db2.gz KOWJCQPHRXPSIA-HXUWFJFHSA-N 0 3 332.447 4.439 20 30 EIEDHN C[C@@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786530798 1046844728 /nfs/dbraw/zinc/84/47/28/1046844728.db2.gz JYXDJPRDWKBPLS-XJKSGUPXSA-N 0 3 348.874 4.127 20 30 EIEDHN CCCCCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786534418 1046845678 /nfs/dbraw/zinc/84/56/78/1046845678.db2.gz KYNSUBNQLRYWQG-MRXNPFEDSA-N 0 3 334.847 4.026 20 30 EIEDHN C[C@H]1C[C@@H]1c1ccc(CNCCSCc2ccccc2C#N)o1 ZINC000537215435 1047033142 /nfs/dbraw/zinc/03/31/42/1047033142.db2.gz FMMCNPBPWMYIGG-KSSFIOAISA-N 0 3 326.465 4.298 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 ZINC000788648099 1047249102 /nfs/dbraw/zinc/24/91/02/1047249102.db2.gz XGMPHPZODJJALO-GHTZIAJQSA-N 0 3 336.435 4.240 20 30 EIEDHN C#CCCN[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000760305724 1047305345 /nfs/dbraw/zinc/30/53/45/1047305345.db2.gz ZGMYZNIESNGFBB-KRWDZBQOSA-N 0 3 332.216 4.291 20 30 EIEDHN N#Cc1ccc(C2CCN(Cc3ccc(C(F)F)nc3)CC2)cc1 ZINC000897588760 1047320049 /nfs/dbraw/zinc/32/00/49/1047320049.db2.gz MRHAULNDZGTBJS-UHFFFAOYSA-N 0 3 327.378 4.270 20 30 EIEDHN C[C@H](CCc1ccc(C(F)(F)F)cc1)NCc1nc(C#N)cs1 ZINC000897628771 1047403827 /nfs/dbraw/zinc/40/38/27/1047403827.db2.gz CBZRTPGJIAGABR-LLVKDONJSA-N 0 3 339.386 4.144 20 30 EIEDHN N#CC(C(=O)CCCOc1cccc(F)c1)c1ccc2ccccc2n1 ZINC000918480614 1047460544 /nfs/dbraw/zinc/46/05/44/1047460544.db2.gz AYUGYGFUHOGZAG-GOSISDBHSA-N 0 3 348.377 4.409 20 30 EIEDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1[O-] ZINC000808706137 1048052884 /nfs/dbraw/zinc/05/28/84/1048052884.db2.gz YJFDNSUFGALZFC-ZDUSSCGKSA-N 0 3 330.815 4.107 20 30 EIEDHN C=CCc1cc(OCC)cc(CN2CCC[C@@H]2c2ccccn2)c1O ZINC000919952123 1048338359 /nfs/dbraw/zinc/33/83/59/1048338359.db2.gz RYXUMRAOUCFWPA-HXUWFJFHSA-N 0 3 338.451 4.252 20 30 EIEDHN C=CC(C)(C)CC(=O)N1CC(C)(C)N(Cc2ccccc2)CC1(C)C ZINC001131760273 1048411358 /nfs/dbraw/zinc/41/13/58/1048411358.db2.gz UJQLVPSRMJNICR-UHFFFAOYSA-N 0 3 342.527 4.490 20 30 EIEDHN C[C@@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C(C)(F)F ZINC000815913724 1048640537 /nfs/dbraw/zinc/64/05/37/1048640537.db2.gz ZFDXBBOIYWORAI-IONNQARKSA-N 0 3 328.771 4.417 20 30 EIEDHN C=CCOCc1cccc(NC(=N)c2ccc3cc(O)ccc3c2)c1 ZINC001171186107 1048683961 /nfs/dbraw/zinc/68/39/61/1048683961.db2.gz NZKBXTZBZYCIDU-UHFFFAOYSA-N 0 3 332.403 4.285 20 30 EIEDHN C#C[C@H]1CCCN(Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC001144498266 1048704792 /nfs/dbraw/zinc/70/47/92/1048704792.db2.gz FVSPCIUABHJTRI-SFHVURJKSA-N 0 3 335.447 4.119 20 30 EIEDHN COc1cccc([C@H](C/N=C\c2c(O)ccc3ccccc32)N(C)C)c1 ZINC000920945381 1048819372 /nfs/dbraw/zinc/81/93/72/1048819372.db2.gz XDMVHKGNPAGKKF-KUOTXRDYSA-N 0 3 348.446 4.276 20 30 EIEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000763453516 1049083671 /nfs/dbraw/zinc/08/36/71/1049083671.db2.gz NYVGADMSUWAZKL-QZTJIDSGSA-N 0 3 348.874 4.022 20 30 EIEDHN COc1ccc([C@H](C)CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000175122149 1049108926 /nfs/dbraw/zinc/10/89/26/1049108926.db2.gz VQEDFKKJJWIGFT-CZUORRHYSA-N 0 3 334.375 4.206 20 30 EIEDHN Cc1sc(NC(=O)CN[C@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000078730807 1049279968 /nfs/dbraw/zinc/27/99/68/1049279968.db2.gz SZPIFUXGHTZFHP-SFHVURJKSA-N 0 3 341.480 4.162 20 30 EIEDHN N#Cc1c(CN2CC[C@H](Cc3ccc(F)cc3)C2)cn2ccccc12 ZINC000609916562 1049393864 /nfs/dbraw/zinc/39/38/64/1049393864.db2.gz XTMFRJLEEYZVCK-QGZVFWFLSA-N 0 3 333.410 4.015 20 30 EIEDHN COc1ccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)cc1C#N ZINC000773076325 1049569785 /nfs/dbraw/zinc/56/97/85/1049569785.db2.gz LVCQIYWEBYLNKX-QGZVFWFLSA-N 0 3 349.478 4.408 20 30 EIEDHN CN(C)/C=N/c1ccc(NCc2cc3ccccc3cc2O)cc1C#N ZINC001171406736 1049633727 /nfs/dbraw/zinc/63/37/27/1049633727.db2.gz DMPYXBKQXTWVLH-ZVHZXABRSA-N 0 3 344.418 4.251 20 30 EIEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCC1CC1 ZINC000813060249 1049667408 /nfs/dbraw/zinc/66/74/08/1049667408.db2.gz TUVNQMBXHKECSD-KRWDZBQOSA-N 0 3 326.440 4.039 20 30 EIEDHN N#CC1(c2ccccc2)CCN([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170985329 1049752532 /nfs/dbraw/zinc/75/25/32/1049752532.db2.gz MMZOXMVCFXRPPT-LJQANCHMSA-N 0 3 334.438 4.240 20 30 EIEDHN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC001171598774 1049763634 /nfs/dbraw/zinc/76/36/34/1049763634.db2.gz KUVFLCPFNHNUET-UHFFFAOYSA-N 0 3 344.503 4.151 20 30 EIEDHN N#Cc1ccc(CCN2CCc3oc(-c4ccccc4)cc3C2)cc1 ZINC001171791775 1049805649 /nfs/dbraw/zinc/80/56/49/1049805649.db2.gz OXQVHIINYPOOOG-UHFFFAOYSA-N 0 3 328.415 4.419 20 30 EIEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)C1 ZINC001171842149 1049812172 /nfs/dbraw/zinc/81/21/72/1049812172.db2.gz ZLASBTWCSJZVAS-QAPCUYQASA-N 0 3 334.891 4.195 20 30 EIEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3)CCCCCC2)CC1 ZINC001136669453 1049821557 /nfs/dbraw/zinc/82/15/57/1049821557.db2.gz DQOKIHWQLDQREM-UHFFFAOYSA-N 0 3 340.511 4.045 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)NCC(=O)c1ccc(Cl)c(Cl)c1 ZINC001172301852 1049873278 /nfs/dbraw/zinc/87/32/78/1049873278.db2.gz YFFOWBAMMMQNNV-LBPRGKRZSA-N 0 3 347.245 4.269 20 30 EIEDHN CCCCCCC[C@H](CC)NCc1ccccc1S(C)(=O)=O ZINC001172352166 1049892386 /nfs/dbraw/zinc/89/23/86/1049892386.db2.gz ZOSCQSPBGTXLRU-KRWDZBQOSA-N 0 3 325.518 4.319 20 30 EIEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172560442 1049933092 /nfs/dbraw/zinc/93/30/92/1049933092.db2.gz IOVDNYZUAUNMDL-CZYKHXBRSA-N 0 3 341.495 4.149 20 30 EIEDHN C[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1cccc(C#N)c1 ZINC000181519173 1050168788 /nfs/dbraw/zinc/16/87/88/1050168788.db2.gz WWBOEBNDISPPOI-QGZVFWFLSA-N 0 3 334.467 4.040 20 30 EIEDHN N#Cc1csc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000091069126 1050226766 /nfs/dbraw/zinc/22/67/66/1050226766.db2.gz CUILOTRITDZFNM-HZPDHXFCSA-N 0 3 336.819 4.032 20 30 EIEDHN C=CCOc1cccc(CNCc2cccc(Br)c2)c1 ZINC001177651072 1050278158 /nfs/dbraw/zinc/27/81/58/1050278158.db2.gz SISZRXZVUCZSPW-UHFFFAOYSA-N 0 3 332.241 4.304 20 30 EIEDHN COc1cc(CNCc2cccc(OCC#N)c2)cc2ccccc21 ZINC001177840467 1050313155 /nfs/dbraw/zinc/31/31/55/1050313155.db2.gz OPCZKHVPWBXVHZ-UHFFFAOYSA-N 0 3 332.403 4.041 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000181956298 1050397276 /nfs/dbraw/zinc/39/72/76/1050397276.db2.gz QAXNVTUPWVHIKO-KXBFYZLASA-N 0 3 349.434 4.099 20 30 EIEDHN N#CCC1CCC(N[C@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001173330508 1050419769 /nfs/dbraw/zinc/41/97/69/1050419769.db2.gz RSCTTXPJCGTPHV-IJGSQOGDSA-N 0 3 327.255 4.089 20 30 EIEDHN N#Cc1cccc(C2CCN(C3Cc4cc(F)c(F)cc4C3)CC2)c1 ZINC001173487673 1050473651 /nfs/dbraw/zinc/47/36/51/1050473651.db2.gz QHNHEGXKNVVWOQ-UHFFFAOYSA-N 0 3 338.401 4.183 20 30 EIEDHN CCCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618740998 1050500153 /nfs/dbraw/zinc/50/01/53/1050500153.db2.gz BGVKQZPDXJRZAF-IBGZPJMESA-N 0 3 336.435 4.133 20 30 EIEDHN CC(C)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000618741642 1050500745 /nfs/dbraw/zinc/50/07/45/1050500745.db2.gz ISQXNMFCBYIOEE-LJQANCHMSA-N 0 3 335.407 4.367 20 30 EIEDHN CC(C)(C)OC(=O)c1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742702 1050501452 /nfs/dbraw/zinc/50/14/52/1050501452.db2.gz PUMNKMNGKVBLCN-FQEVSTJZSA-N 0 3 348.446 4.291 20 30 EIEDHN C=CCCCCCCNCc1c(C)nn(-c2ccccn2)c1Cl ZINC001178688350 1050531018 /nfs/dbraw/zinc/53/10/18/1050531018.db2.gz IMTDARHYPPTHHZ-UHFFFAOYSA-N 0 3 332.879 4.455 20 30 EIEDHN N#Cc1ccc([C@@H](O)CNC2(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000763502466 1050531366 /nfs/dbraw/zinc/53/13/66/1050531366.db2.gz NHTQQXGPTPXNSG-KRWDZBQOSA-N 0 3 347.245 4.177 20 30 EIEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(OC(F)F)c1 ZINC000618807413 1050535726 /nfs/dbraw/zinc/53/57/26/1050535726.db2.gz UKFLKAJIVAXACH-SGTLLEGYSA-N 0 3 328.362 4.498 20 30 EIEDHN COc1ccc2c(c1)[C@H](N[C@@H]1CCc3cc(C#N)ccc31)CCS2 ZINC000618807378 1050535948 /nfs/dbraw/zinc/53/59/48/1050535948.db2.gz YPILLCSZWDQCER-RTBURBONSA-N 0 3 336.460 4.381 20 30 EIEDHN C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1[O-] ZINC001179494888 1050711753 /nfs/dbraw/zinc/71/17/53/1050711753.db2.gz YBPMHXRZRGTQCM-INIZCTEOSA-N 0 3 346.434 4.020 20 30 EIEDHN N#Cc1ccc(CN2CCC(Nc3ccc4ncccc4c3)CC2)cc1 ZINC000182748820 1050809084 /nfs/dbraw/zinc/80/90/84/1050809084.db2.gz GERANZFCDKUJRM-UHFFFAOYSA-N 0 3 342.446 4.183 20 30 EIEDHN Cn1c(CN2CC=C(c3ccc(C#N)cc3)CC2)cc2ccccc21 ZINC001180132427 1050881760 /nfs/dbraw/zinc/88/17/60/1050881760.db2.gz DYKIGBMWMZLZAS-UHFFFAOYSA-N 0 3 327.431 4.339 20 30 EIEDHN CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000619755073 1050886053 /nfs/dbraw/zinc/88/60/53/1050886053.db2.gz SHDLLYPFPNOZKJ-KRWDZBQOSA-N 0 3 344.842 4.470 20 30 EIEDHN N#Cc1ccc(CNCc2cc(F)cc3cccnc32)cc1Cl ZINC000619748507 1050893635 /nfs/dbraw/zinc/89/36/35/1050893635.db2.gz NCCDFASRIBZYQF-UHFFFAOYSA-N 0 3 325.774 4.189 20 30 EIEDHN N#Cc1ccc(CNCc2c[nH]nc2-c2ccc(F)cc2)cc1Cl ZINC000619748425 1050894178 /nfs/dbraw/zinc/89/41/78/1050894178.db2.gz KZWZQBQCBWBYJW-UHFFFAOYSA-N 0 3 340.789 4.031 20 30 EIEDHN CC(C)C1CCC(CN2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC001180178094 1050895631 /nfs/dbraw/zinc/89/56/31/1050895631.db2.gz OINZWILOQDHKPG-UHFFFAOYSA-N 0 3 343.490 4.282 20 30 EIEDHN CC[C@@H](CN1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1 ZINC001180271117 1050942087 /nfs/dbraw/zinc/94/20/87/1050942087.db2.gz CUTRZYGHFQVYEW-KRWDZBQOSA-N 0 3 337.442 4.013 20 30 EIEDHN C#CCN(Cc1ccc(O[C@H](C)COC)cc1)[C@H]1CCc2ccccc21 ZINC001180296817 1050960226 /nfs/dbraw/zinc/96/02/26/1050960226.db2.gz MBZRDBRSXQPKEX-JPYJTQIMSA-N 0 3 349.474 4.223 20 30 EIEDHN CCC(CC)(CNC(=O)OC(C)(C)C)CN(CCC#N)CC(C)C ZINC001180402102 1050979401 /nfs/dbraw/zinc/97/94/01/1050979401.db2.gz AUDRQLHSZPZWLW-UHFFFAOYSA-N 0 3 339.524 4.189 20 30 EIEDHN CCCCC[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000775320865 1051060976 /nfs/dbraw/zinc/06/09/76/1051060976.db2.gz VQGQKTGLKIKQPZ-OAQYLSRUSA-N 0 3 349.478 4.086 20 30 EIEDHN C=CCc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)cc(OC)c1O ZINC000775361196 1051130084 /nfs/dbraw/zinc/13/00/84/1051130084.db2.gz BEVASUSDRCZVQK-OAHLLOKOSA-N 0 3 340.467 4.046 20 30 EIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775366056 1051135313 /nfs/dbraw/zinc/13/53/13/1051135313.db2.gz ZFTUFRIQFKHNTD-MRXNPFEDSA-N 0 3 340.467 4.177 20 30 EIEDHN CCCCCCCCCCN[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC001174779975 1051172279 /nfs/dbraw/zinc/17/22/79/1051172279.db2.gz LOHIZZKWTHAWPU-LJQANCHMSA-N 0 3 337.529 4.386 20 30 EIEDHN CCCCCCC[C@@H](C)NCc1cc(S(C)(=O)=O)ccc1F ZINC001181184306 1051173345 /nfs/dbraw/zinc/17/33/45/1051173345.db2.gz GKATZWFHXOLUEY-CQSZACIVSA-N 0 3 329.481 4.068 20 30 EIEDHN C#CC[C@@H](NCc1ccc2oc(C(=O)OC)cc2c1)c1ccccc1 ZINC000775398884 1051228367 /nfs/dbraw/zinc/22/83/67/1051228367.db2.gz NDLSBGYUKSCDRB-GOSISDBHSA-N 0 3 333.387 4.074 20 30 EIEDHN C#CC[C@H](NCc1ccc2oc(C(=O)OC)cc2c1)c1ccccc1 ZINC000775398885 1051228947 /nfs/dbraw/zinc/22/89/47/1051228947.db2.gz NDLSBGYUKSCDRB-SFHVURJKSA-N 0 3 333.387 4.074 20 30 EIEDHN C#C[C@@H](N[C@H](C)CCc1ccco1)c1ccc(Br)cc1 ZINC001182035448 1051377733 /nfs/dbraw/zinc/37/77/33/1051377733.db2.gz ZJWVBWTWLHCDLX-CXAGYDPISA-N 0 3 332.241 4.327 20 30 EIEDHN Cc1csc(C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000155395081 1051415240 /nfs/dbraw/zinc/41/52/40/1051415240.db2.gz FVRGVDISVMBIEW-VIFPVBQESA-N 0 3 326.208 4.004 20 30 EIEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3ccccc3)n2)cc1 ZINC000155648574 1051441689 /nfs/dbraw/zinc/44/16/89/1051441689.db2.gz UKXBISLCEHJCLC-MRXNPFEDSA-N 0 3 349.415 4.065 20 30 EIEDHN C#C[C@@H]1CCCN(C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C1 ZINC001182603943 1051655750 /nfs/dbraw/zinc/65/57/50/1051655750.db2.gz BUMFILOFUQZLEH-IAGOWNOFSA-N 0 3 336.520 4.051 20 30 EIEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H](CO)c1ccccc1 ZINC001175661479 1051716996 /nfs/dbraw/zinc/71/69/96/1051716996.db2.gz OAXVMZYBYVZWGF-GOSISDBHSA-N 0 3 348.368 4.133 20 30 EIEDHN CCN1CCN(c2ccc(Nc3cc(C#N)ccc3Cl)cc2)CC1 ZINC001175781340 1051784353 /nfs/dbraw/zinc/78/43/53/1051784353.db2.gz SSKCATCFXXXYDR-UHFFFAOYSA-N 0 3 340.858 4.097 20 30 EIEDHN C=CCC[C@H](NCC(=O)NCCC1CCCCC1)c1ccccc1 ZINC001192711197 1051803741 /nfs/dbraw/zinc/80/37/41/1051803741.db2.gz UGNMEUDQUHVXPU-FQEVSTJZSA-N 0 3 328.500 4.370 20 30 EIEDHN C[C@H](N[C@@H](C)c1cc2ccccc2s1)C(=O)Nc1ccccc1C#N ZINC000184352400 1051915960 /nfs/dbraw/zinc/91/59/60/1051915960.db2.gz NGOXPLNJNITUBR-KBPBESRZSA-N 0 3 349.459 4.451 20 30 EIEDHN CC[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC001176218275 1051959989 /nfs/dbraw/zinc/95/99/89/1051959989.db2.gz ORUAPLRUNWKTIH-NRFANRHFSA-N 0 3 343.430 4.391 20 30 EIEDHN C[C@H](NCCCOc1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC001194615845 1052188333 /nfs/dbraw/zinc/18/83/33/1052188333.db2.gz KZPPBINDLFEICE-ZDUSSCGKSA-N 0 3 332.806 4.470 20 30 EIEDHN C=CCN1CCC(NC(=O)C[C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000172349844 1052491441 /nfs/dbraw/zinc/49/14/41/1052491441.db2.gz ZEWBYHQDKGOCCI-KRWDZBQOSA-N 0 3 328.500 4.070 20 30 EIEDHN C=CCN1CCC(NC(=O)c2ccccc2SCC=C(C)C)CC1 ZINC000172843714 1052527473 /nfs/dbraw/zinc/52/74/73/1052527473.db2.gz KKIUDRANUJDEAX-UHFFFAOYSA-N 0 3 344.524 4.125 20 30 EIEDHN C=CCC[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000180039903 1052775104 /nfs/dbraw/zinc/77/51/04/1052775104.db2.gz ZXNGFRNNCVUYDE-QGZVFWFLSA-N 0 3 330.378 4.200 20 30 EIEDHN C=CCC[C@H](NCC(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 ZINC000180048808 1052776091 /nfs/dbraw/zinc/77/60/91/1052776091.db2.gz JNAGKVHVPVXKRC-FQEVSTJZSA-N 0 3 336.435 4.125 20 30 EIEDHN COc1cccc(C2(N[C@@H](C)c3ccc(OCC#N)cc3)CCC2)c1 ZINC000850565463 1053319939 /nfs/dbraw/zinc/31/99/39/1053319939.db2.gz BZNZOIJMWMCXEO-INIZCTEOSA-N 0 3 336.435 4.328 20 30 EIEDHN C#CCOc1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000776499360 1053385395 /nfs/dbraw/zinc/38/53/95/1053385395.db2.gz UTXDDZGRQKNQDQ-LJQANCHMSA-N 0 3 341.838 4.356 20 30 EIEDHN N#Cc1cccc(CN2CCC3(CCc4ccccc4C3)CC2)c1F ZINC001195768779 1053474494 /nfs/dbraw/zinc/47/44/94/1053474494.db2.gz WNZDCPWPLIRULY-UHFFFAOYSA-N 0 3 334.438 4.468 20 30 EIEDHN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)c3ccc(C#N)cc3)ccc2NC1=O ZINC000173227199 1053579200 /nfs/dbraw/zinc/57/92/00/1053579200.db2.gz GFXWCTDKZQHLHV-KSMMKXTCSA-N 0 3 349.434 4.080 20 30 EIEDHN COc1cc(CNCc2c(C)cc(C#N)cc2C)ccc1OC(C)C ZINC000921523610 1053581090 /nfs/dbraw/zinc/58/10/90/1053581090.db2.gz ZUDMMMCZAIMLEM-UHFFFAOYSA-N 0 3 338.451 4.261 20 30 EIEDHN N#CCc1cccc2c1CCN(C[C@H]1CCC3(CCCCCC3)O1)C2 ZINC001196622027 1053715551 /nfs/dbraw/zinc/71/55/51/1053715551.db2.gz BIVJXGYZOWLTDZ-HXUWFJFHSA-N 0 3 338.495 4.383 20 30 EIEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H](C)CC(C)C ZINC000765585947 1053746972 /nfs/dbraw/zinc/74/69/72/1053746972.db2.gz DTSCOAMQYFJZMF-YOEHRIQHSA-N 0 3 328.456 4.141 20 30 EIEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H](C)CC(C)C ZINC000765585946 1053748720 /nfs/dbraw/zinc/74/87/20/1053748720.db2.gz DTSCOAMQYFJZMF-WMLDXEAASA-N 0 3 328.456 4.141 20 30 EIEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000121672552 1053834420 /nfs/dbraw/zinc/83/44/20/1053834420.db2.gz NDEHXLREUBSAPA-VQIMIIECSA-N 0 3 340.467 4.037 20 30 EIEDHN Cc1cccc(Oc2cccc(NC(=O)[C@H](N)CCCCC#N)c2)c1 ZINC000868037690 1053869780 /nfs/dbraw/zinc/86/97/80/1053869780.db2.gz VWSHLGDVMQMIEC-LJQANCHMSA-N 0 3 337.423 4.137 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(F)cc2)ccc1OC ZINC000113308829 1053917144 /nfs/dbraw/zinc/91/71/44/1053917144.db2.gz GTTWPFVREAYEKU-KDOFPFPSSA-N 0 3 342.414 4.366 20 30 EIEDHN C#CCOc1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000113317188 1053917876 /nfs/dbraw/zinc/91/78/76/1053917876.db2.gz SYMMMVGASVPWPX-SFHVURJKSA-N 0 3 327.424 4.164 20 30 EIEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CCC1 ZINC001198034445 1054061150 /nfs/dbraw/zinc/06/11/50/1054061150.db2.gz XEAOIFCFOLZTGQ-KRWDZBQOSA-N 0 3 348.446 4.342 20 30 EIEDHN COc1cc(C)cc(C(=O)C(C#N)c2nc(C(C)C)cs2)c1C ZINC000870225353 1054074394 /nfs/dbraw/zinc/07/43/94/1054074394.db2.gz PWFGDVPWIPUELY-AWEZNQCLSA-N 0 3 328.437 4.382 20 30 EIEDHN O=C1C=COC2(CCN(Cc3ccc(C4CCCC4)cc3)CC2)C1 ZINC001198243985 1054109862 /nfs/dbraw/zinc/10/98/62/1054109862.db2.gz XQVVUWRUZNLSOX-UHFFFAOYSA-N 0 3 325.452 4.182 20 30 EIEDHN C=CCC[C@@H]1CCCN1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC001198414535 1054139566 /nfs/dbraw/zinc/13/95/66/1054139566.db2.gz VWHZRJNVZJQRSZ-MRXNPFEDSA-N 0 3 344.480 4.455 20 30 EIEDHN C[C@@H](CCc1ccco1)NCc1cc(C#N)ccc1Br ZINC001198991247 1054324169 /nfs/dbraw/zinc/32/41/69/1054324169.db2.gz NQYONCSATHOLIB-LBPRGKRZSA-N 0 3 333.229 4.025 20 30 EIEDHN COc1cc2c(cc1OC)[C@@H](NCc1ccc(C#N)s1)CCCC2 ZINC000872080123 1054380606 /nfs/dbraw/zinc/38/06/06/1054380606.db2.gz NWVMLFVYOIBLFY-KRWDZBQOSA-N 0 3 342.464 4.194 20 30 EIEDHN N#CCc1ccc(CN2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858023563 1054403515 /nfs/dbraw/zinc/40/35/15/1054403515.db2.gz OZDYLVRYCYNYBN-OAQYLSRUSA-N 0 3 347.462 4.068 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045975 1054409007 /nfs/dbraw/zinc/40/90/07/1054409007.db2.gz FDZXENCPTBJEPU-YWZLYKJASA-N 0 3 333.435 4.045 20 30 EIEDHN C=CCC[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000776002512 1054437704 /nfs/dbraw/zinc/43/77/04/1054437704.db2.gz FBVCXQIODQHWRY-XLIONFOSSA-N 0 3 325.452 4.283 20 30 EIEDHN C=CCC[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000776002512 1054437705 /nfs/dbraw/zinc/43/77/05/1054437705.db2.gz FBVCXQIODQHWRY-XLIONFOSSA-N 0 3 325.452 4.283 20 30 EIEDHN N#Cc1cccc(O[C@@H]2CCCN(Cc3c[nH]c4c3cccc4F)C2)c1 ZINC001137059345 1054442663 /nfs/dbraw/zinc/44/26/63/1054442663.db2.gz XPXXZPWJRGZXAP-GOSISDBHSA-N 0 3 349.409 4.222 20 30 EIEDHN C[C@H](c1ccccc1)N(Cc1ccnc(C#N)c1)Cc1ccccc1O ZINC000776012035 1054445740 /nfs/dbraw/zinc/44/57/40/1054445740.db2.gz WQRVWBZGGZULPG-QGZVFWFLSA-N 0 3 343.430 4.422 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776164874 1054776488 /nfs/dbraw/zinc/77/64/88/1054776488.db2.gz KWWWPDPSDZHXGU-VQIMIIECSA-N 0 3 349.434 4.121 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000106038709 1054813506 /nfs/dbraw/zinc/81/35/06/1054813506.db2.gz XJTRDEUPJRDDIQ-UHFFFAOYSA-N 0 3 348.899 4.325 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C1CCC1)C1CCC1 ZINC000860449896 1054814075 /nfs/dbraw/zinc/81/40/75/1054814075.db2.gz IMCDVSQXKVSWKO-QGZVFWFLSA-N 0 3 335.451 4.356 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000860469137 1054818616 /nfs/dbraw/zinc/81/86/16/1054818616.db2.gz PCJWTESIIIAVEL-QWFCFKBJSA-N 0 3 346.430 4.226 20 30 EIEDHN C[C@]12CCN(Cc3ccc(C4(C#N)CC4)cc3)C[C@H]1C2(Cl)Cl ZINC000825824679 1054823850 /nfs/dbraw/zinc/82/38/50/1054823850.db2.gz MNQAEQQJQPIIHQ-CVEARBPZSA-N 0 3 335.278 4.257 20 30 EIEDHN COc1ccc(C#N)c(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001201478022 1054831630 /nfs/dbraw/zinc/83/16/30/1054831630.db2.gz RCOHLXIYIAKEKB-UXHICEINSA-N 0 3 345.446 4.300 20 30 EIEDHN CCCCCCCN1Cc2cnn(CC3CC3)c2[C@H](COCC)C1 ZINC001201777275 1054917736 /nfs/dbraw/zinc/91/77/36/1054917736.db2.gz VAVMWOVPOMJHJX-IBGZPJMESA-N 0 3 333.520 4.199 20 30 EIEDHN CCCCCCCCCN1CCn2cc(CN3CCCC3)nc2C1 ZINC001201840071 1054931951 /nfs/dbraw/zinc/93/19/51/1054931951.db2.gz SNGCRZAECJNICG-UHFFFAOYSA-N 0 3 332.536 4.045 20 30 EIEDHN C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000877758295 1055117514 /nfs/dbraw/zinc/11/75/14/1055117514.db2.gz RVJPBFNCCVUDHQ-ZDUSSCGKSA-N 0 3 347.842 4.470 20 30 EIEDHN CC(=O)[C@](C#N)(CCN1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000877916282 1055153165 /nfs/dbraw/zinc/15/31/65/1055153165.db2.gz CTBFHJNJZTZGKG-HSZRJFAPSA-N 0 3 346.474 4.307 20 30 EIEDHN CC(=O)[C@](C#N)(CCN1CCC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000878649125 1055367661 /nfs/dbraw/zinc/36/76/61/1055367661.db2.gz XKKCMJWVRQGJTD-FYYLOGMGSA-N 0 3 346.474 4.307 20 30 EIEDHN CN(C)[C@H](CNc1snc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000301485343 1055942223 /nfs/dbraw/zinc/94/22/23/1055942223.db2.gz WMEDOELFUQKKAW-GFCCVEGCSA-N 0 3 341.267 4.036 20 30 EIEDHN CC(=O)c1ccc(C#N)c(NCc2ccccc2CN2CCCCC2)c1 ZINC000302019922 1056009143 /nfs/dbraw/zinc/00/91/43/1056009143.db2.gz HJSGVAZTAYGVNP-UHFFFAOYSA-N 0 3 347.462 4.359 20 30 EIEDHN Cc1ccc2nccc(N3CCCN(c4ccccc4C#N)CC3)c2c1 ZINC000302168304 1056024763 /nfs/dbraw/zinc/02/47/63/1056024763.db2.gz SOXJVNCLPKPITL-UHFFFAOYSA-N 0 3 342.446 4.132 20 30 EIEDHN C[C@]1(CNc2snc(Cl)c2C#N)CCCN1Cc1ccccc1 ZINC000302377863 1056041545 /nfs/dbraw/zinc/04/15/45/1056041545.db2.gz GELYLTDBJSFHPY-QGZVFWFLSA-N 0 3 346.887 4.135 20 30 EIEDHN C[C@@H](NCc1csc(C#N)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000921807368 1056612924 /nfs/dbraw/zinc/61/29/24/1056612924.db2.gz PDOXHCMCXUFXKF-RFAUZJTJSA-N 0 3 341.263 4.138 20 30 EIEDHN CCc1nc(CNC2CCC(Oc3ccccc3C#N)CC2)cs1 ZINC000111408913 1056791056 /nfs/dbraw/zinc/79/10/56/1056791056.db2.gz YQSXWAITVOAHEM-UHFFFAOYSA-N 0 3 341.480 4.057 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(OC)c(Cl)c2)c1 ZINC000742371263 1058598844 /nfs/dbraw/zinc/59/88/44/1058598844.db2.gz MWEDKDVVCLRFKM-MRXNPFEDSA-N 0 3 344.842 4.319 20 30 EIEDHN N#Cc1ccc(OCC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000742378147 1058602608 /nfs/dbraw/zinc/60/26/08/1058602608.db2.gz YILZCRYWAAMBGV-UHFFFAOYSA-N 0 3 344.414 4.099 20 30 EIEDHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000743473027 1059022022 /nfs/dbraw/zinc/02/20/22/1059022022.db2.gz JIXINXQLTORYSO-RTBURBONSA-N 0 3 349.478 4.289 20 30 EIEDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000743473024 1059022887 /nfs/dbraw/zinc/02/28/87/1059022887.db2.gz JIXINXQLTORYSO-MOPGFXCFSA-N 0 3 349.478 4.289 20 30 EIEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccco1 ZINC000744061826 1059237902 /nfs/dbraw/zinc/23/79/02/1059237902.db2.gz PRIUHFWGKXEQCQ-WFASDCNBSA-N 0 3 347.399 4.255 20 30 EIEDHN COc1ccccc1[C@@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245813244 1032494050 /nfs/dbraw/zinc/49/40/50/1032494050.db2.gz ZREOODVFPUUCNB-UZLBHIALSA-N 0 3 336.435 4.323 20 30 EIEDHN CCN(CC)[C@@H](CNc1c(F)cc(C#N)cc1F)c1ccsc1 ZINC000500544740 1032625417 /nfs/dbraw/zinc/62/54/17/1032625417.db2.gz NNVSEXOQSLFBSF-INIZCTEOSA-N 0 3 335.423 4.393 20 30 EIEDHN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(C#N)c1 ZINC000533367588 1032706729 /nfs/dbraw/zinc/70/67/29/1032706729.db2.gz AKTINXAHLKYPRR-QRWLVFNGSA-N 0 3 333.435 4.016 20 30 EIEDHN N#Cc1cccc([C@H](O)CN2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC001167064709 1019222403 /nfs/dbraw/zinc/22/24/03/1019222403.db2.gz XSHWWRGJUAXPFN-RTBURBONSA-N 0 3 326.827 4.082 20 30 EIEDHN C=CCOC(=O)N1CCC2(CN(CC3=CC[C@@H](C(=C)C)CC3)C2)CC1 ZINC001208169800 1019243629 /nfs/dbraw/zinc/24/36/29/1019243629.db2.gz AATJSRKIRKSXFQ-LJQANCHMSA-N 0 3 344.499 4.009 20 30 EIEDHN C=CCCCCCCCCN1CCn2c(CN(C)C(C)C)cnc2C1 ZINC001209444294 1020354952 /nfs/dbraw/zinc/35/49/52/1020354952.db2.gz OWKLGAAXIOZEDU-UHFFFAOYSA-N 0 3 346.563 4.456 20 30 EIEDHN COc1ccc([C@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)cc1 ZINC001167285965 1020851259 /nfs/dbraw/zinc/85/12/59/1020851259.db2.gz DFGLWDRZGUHHAA-SFHVURJKSA-N 0 3 325.839 4.190 20 30 EIEDHN C=CCOc1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1 ZINC000512516457 1032967790 /nfs/dbraw/zinc/96/77/90/1032967790.db2.gz GRQQILJOVMVZKM-UHFFFAOYSA-N 0 3 337.341 4.440 20 30 EIEDHN C[C@@H](NCc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000610344633 1021344512 /nfs/dbraw/zinc/34/45/12/1021344512.db2.gz BMOKSNIKSGPEMD-LLVKDONJSA-N 0 3 333.204 4.311 20 30 EIEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(OCc2ccccn2)c1 ZINC000180053805 1021533552 /nfs/dbraw/zinc/53/35/52/1021533552.db2.gz HLOMOKFLMKOSJL-UHFFFAOYSA-N 0 3 343.430 4.164 20 30 EIEDHN C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCCC[C@H]12 ZINC000610367486 1021542888 /nfs/dbraw/zinc/54/28/88/1021542888.db2.gz JORDGSQCKKTUAO-OLMNPRSZSA-N 0 3 336.439 4.009 20 30 EIEDHN CCCCCCCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155626561 1021720840 /nfs/dbraw/zinc/72/08/40/1021720840.db2.gz MYPYMJOCGKDJBG-KRWDZBQOSA-N 0 3 331.504 4.084 20 30 EIEDHN CN1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@H]1c1ccccc1 ZINC000613430909 1022011754 /nfs/dbraw/zinc/01/17/54/1022011754.db2.gz HXOBHTQIGOWVSS-PKOBYXMFSA-N 0 3 334.467 4.108 20 30 EIEDHN CC(C)(CC#N)CN[C@H]1CCCOc2ccc(Br)cc21 ZINC000414167738 1022012032 /nfs/dbraw/zinc/01/20/32/1022012032.db2.gz PPFQGARPGZJNFI-AWEZNQCLSA-N 0 3 337.261 4.192 20 30 EIEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(Br)c2Cl)C1 ZINC000414207909 1022159947 /nfs/dbraw/zinc/15/99/47/1022159947.db2.gz HYDHKGAHYMTMMU-CMPLNLGQSA-N 0 3 327.653 4.274 20 30 EIEDHN CC(C)(C)OC(=O)Nc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000310854673 1022518666 /nfs/dbraw/zinc/51/86/66/1022518666.db2.gz SDLVWHQNXPGOCS-UHFFFAOYSA-N 0 3 337.423 4.195 20 30 EIEDHN C=C(C)CN(CCc1ccc(OC)cc1)Cc1cnn(C(C)C)c1 ZINC000512542861 1033113157 /nfs/dbraw/zinc/11/31/57/1033113157.db2.gz WATWFMVDSACFEA-UHFFFAOYSA-N 0 3 327.472 4.093 20 30 EIEDHN C=CCCCCCN(C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001167461606 1023209012 /nfs/dbraw/zinc/20/90/12/1023209012.db2.gz NLXXYMCKGRYLIZ-IBGZPJMESA-N 0 3 328.500 4.395 20 30 EIEDHN CC[C@@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(C#N)cc1 ZINC000377078003 1023366447 /nfs/dbraw/zinc/36/64/47/1023366447.db2.gz MYIMHSKNTSXUQK-LJQANCHMSA-N 0 3 334.398 4.124 20 30 EIEDHN N#CC1(CCCCN[C@@H](CO)c2cccc(Cl)c2Cl)CCC1 ZINC000931058123 1023518023 /nfs/dbraw/zinc/51/80/23/1023518023.db2.gz DRHISQJSZQNZNO-HNNXBMFYSA-N 0 3 341.282 4.481 20 30 EIEDHN C=C(C)COc1cc(CN2CCC(OC3CCC3)CC2)ccc1OC ZINC000418089574 1023523620 /nfs/dbraw/zinc/52/36/20/1023523620.db2.gz JFVNEPVYODAUHC-UHFFFAOYSA-N 0 3 345.483 4.184 20 30 EIEDHN N#CCC[C@@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000759864974 1023753533 /nfs/dbraw/zinc/75/35/33/1023753533.db2.gz JWOZNMUVBMAQIG-QZTJIDSGSA-N 0 3 332.806 4.147 20 30 EIEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167492420 1023956149 /nfs/dbraw/zinc/95/61/49/1023956149.db2.gz SCPPITOWLHDZOG-SFTDATJTSA-N 0 3 347.462 4.073 20 30 EIEDHN CC(C)OCCCN(Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047613614 1023987987 /nfs/dbraw/zinc/98/79/87/1023987987.db2.gz DSONQBGWOGNWMS-UHFFFAOYSA-N 0 3 347.462 4.247 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(Br)c1 ZINC000341707665 1024362987 /nfs/dbraw/zinc/36/29/87/1024362987.db2.gz JKVCOGFKVAKFSR-SFHVURJKSA-N 0 3 341.252 4.488 20 30 EIEDHN N#Cc1ccccc1COc1cccc(CNCc2cccs2)c1 ZINC000066904895 1024391929 /nfs/dbraw/zinc/39/19/29/1024391929.db2.gz ZYXRSPVTZMBQGJ-UHFFFAOYSA-N 0 3 334.444 4.489 20 30 EIEDHN COc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341758861 1024617736 /nfs/dbraw/zinc/61/77/36/1024617736.db2.gz DTUVMFIDNVOONG-KUHUBIRLSA-N 0 3 336.435 4.304 20 30 EIEDHN C=CCOc1ccc(CN(Cc2ccnc(C#N)c2)C(C)(C)C)cc1 ZINC000610993791 1025229422 /nfs/dbraw/zinc/22/94/22/1025229422.db2.gz AZQNJRRIKLLSTJ-UHFFFAOYSA-N 0 3 335.451 4.319 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCc2ccc(C)cc2)cc1 ZINC000105263050 1025289789 /nfs/dbraw/zinc/28/97/89/1025289789.db2.gz SUJASINMBRDXMB-HXUWFJFHSA-N 0 3 348.446 4.228 20 30 EIEDHN N#Cc1cc(CN(Cc2cccs2)C2Cc3ccccc3C2)ccn1 ZINC000585754247 1025821369 /nfs/dbraw/zinc/82/13/69/1025821369.db2.gz BKMAZGBQFWGHRV-UHFFFAOYSA-N 0 3 345.471 4.184 20 30 EIEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(-n2cccn2)c(F)c1 ZINC000551239621 1026096685 /nfs/dbraw/zinc/09/66/85/1026096685.db2.gz XIRKJJVSWDAJAG-VLIAUNLRSA-N 0 3 346.409 4.221 20 30 EIEDHN CCCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000563366096 1026692910 /nfs/dbraw/zinc/69/29/10/1026692910.db2.gz IKKWHOXSZCDYCC-HNNXBMFYSA-N 0 3 333.501 4.140 20 30 EIEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)C(C)(C)C)c(OC)c1 ZINC000507212216 1026703213 /nfs/dbraw/zinc/70/32/13/1026703213.db2.gz OHCYVWLNCCQTOJ-UHFFFAOYSA-N 0 3 338.451 4.376 20 30 EIEDHN CC[C@@H](N[C@@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C#N)cc1 ZINC000375722371 1026874045 /nfs/dbraw/zinc/87/40/45/1026874045.db2.gz ZYPTWWGAPDMIQG-WOJBJXKFSA-N 0 3 333.435 4.097 20 30 EIEDHN CC(C)[C@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000519745215 1026974056 /nfs/dbraw/zinc/97/40/56/1026974056.db2.gz NBBVDBUHGJRYEH-WOJBJXKFSA-N 0 3 330.435 4.180 20 30 EIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000507731823 1027143927 /nfs/dbraw/zinc/14/39/27/1027143927.db2.gz KTMJQICGVIHSGY-UHFFFAOYSA-N 0 3 348.494 4.212 20 30 EIEDHN CCCN(CCCCC(C)(C)C#N)CC(=O)Nc1ccccc1C ZINC000277915679 1027416068 /nfs/dbraw/zinc/41/60/68/1027416068.db2.gz GZOSNOLUQCYDMW-UHFFFAOYSA-N 0 3 329.488 4.366 20 30 EIEDHN CC1(C)OCc2cc(CN(Cc3ccc(C#N)cc3)C3CC3)ccc2O1 ZINC000186611626 1027664284 /nfs/dbraw/zinc/66/42/84/1027664284.db2.gz XDFKBFUTJNHAQL-UHFFFAOYSA-N 0 3 348.446 4.368 20 30 EIEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000329358373 1027746729 /nfs/dbraw/zinc/74/67/29/1027746729.db2.gz XCEGQHINYZSYIC-DAYGRLMNSA-N 0 3 344.503 4.205 20 30 EIEDHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@H]1CCC(=O)NC12CCC2 ZINC000328683454 1027794672 /nfs/dbraw/zinc/79/46/72/1027794672.db2.gz DLKHHQVLKNOFLL-WFASDCNBSA-N 0 3 349.862 4.256 20 30 EIEDHN CC1(C)CN(Cc2cccc(OCCCC#N)c2)CC2(CCCC2)O1 ZINC000443786347 1027850790 /nfs/dbraw/zinc/85/07/90/1027850790.db2.gz GMEAVRZWGXCHQQ-UHFFFAOYSA-N 0 3 342.483 4.293 20 30 EIEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444676273 1027958109 /nfs/dbraw/zinc/95/81/09/1027958109.db2.gz NPLJJJVZRJACSA-CXAGYDPISA-N 0 3 333.863 4.051 20 30 EIEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000330271733 1028244806 /nfs/dbraw/zinc/24/48/06/1028244806.db2.gz WKPNMKLGQSIQEH-JBCWJZNQSA-N 0 3 343.254 4.127 20 30 EIEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000330273324 1028246897 /nfs/dbraw/zinc/24/68/97/1028246897.db2.gz ZAMOEBPJFBOPGM-AMFBXLIHSA-N 0 3 343.254 4.127 20 30 EIEDHN C=CCOc1cccc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)c1 ZINC000657742424 1028260380 /nfs/dbraw/zinc/26/03/80/1028260380.db2.gz RCLOJAMXBXSXKN-SFTDATJTSA-N 0 3 325.452 4.099 20 30 EIEDHN N#CC1CCC(CNCc2csc(COc3ccccc3)n2)CC1 ZINC000281797073 1028868090 /nfs/dbraw/zinc/86/80/90/1028868090.db2.gz UYHCKPQNVATZFZ-UHFFFAOYSA-N 0 3 341.480 4.142 20 30 EIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(Cl)cs1 ZINC000759432502 1029083232 /nfs/dbraw/zinc/08/32/32/1029083232.db2.gz WLOZAFIBHJETTQ-LLVKDONJSA-N 0 3 339.203 4.016 20 30 EIEDHN CC1(C)CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000357955896 1029166146 /nfs/dbraw/zinc/16/61/46/1029166146.db2.gz XVSWFMDESDKQMF-UHFFFAOYSA-N 0 3 347.890 4.099 20 30 EIEDHN C=CCCCN(C)Cc1cc(Br)ccc1OC(F)F ZINC000523009843 1029367874 /nfs/dbraw/zinc/36/78/74/1029367874.db2.gz LYEBEQJXZFZKEC-UHFFFAOYSA-N 0 3 334.204 4.449 20 30 EIEDHN CC(C)Cc1ccc(C(=O)C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000278685945 1029688931 /nfs/dbraw/zinc/68/89/31/1029688931.db2.gz RZMXMHYLXRBNJO-NQIIRXRSSA-N 0 3 338.495 4.472 20 30 EIEDHN N#C[C@H]1CC[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000278690642 1029696567 /nfs/dbraw/zinc/69/65/67/1029696567.db2.gz SESKNVMRKYGSGJ-SIKLNZKXSA-N 0 3 345.490 4.086 20 30 EIEDHN N#C[C@@H]1CC[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000278690630 1029697351 /nfs/dbraw/zinc/69/73/51/1029697351.db2.gz SESKNVMRKYGSGJ-DENIHFKCSA-N 0 3 345.490 4.086 20 30 EIEDHN CC1(C)COc2ccc(C(=O)C(C#N)c3nc4ccccc4s3)cc21 ZINC000584263271 1029704193 /nfs/dbraw/zinc/70/41/93/1029704193.db2.gz NXPWOGOXBYSVCB-ZDUSSCGKSA-N 0 3 348.427 4.456 20 30 EIEDHN CCc1ccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000584318355 1029732903 /nfs/dbraw/zinc/73/29/03/1029732903.db2.gz FZJBCHIXGZRXJE-UHFFFAOYSA-N 0 3 344.455 4.365 20 30 EIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cnn(-c2ccccc2)c1 ZINC000584385869 1029804082 /nfs/dbraw/zinc/80/40/82/1029804082.db2.gz ZEKJRZHMOYRBHY-JOCHJYFZSA-N 0 3 342.446 4.301 20 30 EIEDHN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1Cc1ccc(Cl)cc1C#N ZINC000450958355 1030132706 /nfs/dbraw/zinc/13/27/06/1030132706.db2.gz MYYGVAFEHCPPSO-QRVBRYPASA-N 0 3 332.875 4.117 20 30 EIEDHN C=CCCCN[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000447795504 1030330421 /nfs/dbraw/zinc/33/04/21/1030330421.db2.gz ONJLUUQTIBDLLL-FQEVSTJZSA-N 0 3 338.451 4.321 20 30 EIEDHN CCc1nn(-c2ccccc2)c(CC)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000448032196 1030528809 /nfs/dbraw/zinc/52/88/09/1030528809.db2.gz WAWDKACRIDTSOI-SJORKVTESA-N 0 3 336.483 4.169 20 30 EIEDHN Cc1ccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)s1 ZINC000121954594 1030543597 /nfs/dbraw/zinc/54/35/97/1030543597.db2.gz IKADIYRIVZVXAY-ZDUSSCGKSA-N 0 3 339.445 4.426 20 30 EIEDHN C[C@H]1C[C@@H](c2cccnc2)N(Cc2cccc(OCCCC#N)c2)C1 ZINC000190961088 1030590087 /nfs/dbraw/zinc/59/00/87/1030590087.db2.gz VDHRCZCWBKYVAQ-UWJYYQICSA-N 0 3 335.451 4.347 20 30 EIEDHN CN(Cc1ccc(Br)cc1)Cc1ccc(CC#N)cc1 ZINC000399119561 1030747890 /nfs/dbraw/zinc/74/78/90/1030747890.db2.gz HLCQLVRIZVDBTQ-UHFFFAOYSA-N 0 3 329.241 4.147 20 30 EIEDHN N#Cc1ccc(C2(NCc3cc(Cl)cs3)CCOCC2)cc1 ZINC000527809735 1030854767 /nfs/dbraw/zinc/85/47/67/1030854767.db2.gz LSFYWUMLPUPGCS-UHFFFAOYSA-N 0 3 332.856 4.069 20 30 EIEDHN CC1(C)COc2ccc(C(=O)C(C#N)c3nc(C4CC4)cs3)cc21 ZINC000647379809 1030910403 /nfs/dbraw/zinc/91/04/03/1030910403.db2.gz ORQWXTXBOZFIQI-CYBMUJFWSA-N 0 3 338.432 4.181 20 30 EIEDHN Cc1c(CN2CCSCC2)cccc1NCc1cc(C#N)cs1 ZINC000125620512 1031607781 /nfs/dbraw/zinc/60/77/81/1031607781.db2.gz ZLKQWAXIGMWJPW-UHFFFAOYSA-N 0 3 343.521 4.089 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@@H]2CCC[C@H](C)C2)c1 ZINC000508664951 1031811574 /nfs/dbraw/zinc/81/15/74/1031811574.db2.gz KQWMJAYVDQMUEE-QFBILLFUSA-N 0 3 341.499 4.061 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@H]2CCC[C@H](C)C2)c1 ZINC000508664948 1031811750 /nfs/dbraw/zinc/81/17/50/1031811750.db2.gz KQWMJAYVDQMUEE-LPHOPBHVSA-N 0 3 341.499 4.061 20 30 EIEDHN CC(C)[C@H](NCc1ccc(C#N)c(F)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000453388828 1031899111 /nfs/dbraw/zinc/89/91/11/1031899111.db2.gz RBCXZAZGYCMXJQ-SFHVURJKSA-N 0 3 339.370 4.031 20 30 EIEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000528924537 1031950494 /nfs/dbraw/zinc/95/04/94/1031950494.db2.gz OHXSSHLKHGYEEY-BCLHGEQCSA-N 0 3 348.855 4.185 20 30 EIEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1Cl ZINC000573734173 1033441063 /nfs/dbraw/zinc/44/10/63/1033441063.db2.gz VJJGRNOIJKTKEK-LBPRGKRZSA-N 0 3 330.815 4.080 20 30 EIEDHN C[C@H](NCCSCc1ccccc1F)c1ccc(C#N)cc1F ZINC000512612562 1033493145 /nfs/dbraw/zinc/49/31/45/1033493145.db2.gz PGJFPQDVOSCIIP-ZDUSSCGKSA-N 0 3 332.419 4.420 20 30 EIEDHN CC(C)(C#N)c1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000614159968 1033529722 /nfs/dbraw/zinc/52/97/22/1033529722.db2.gz INVZFTZRLLWZMG-UHFFFAOYSA-N 0 3 332.447 4.483 20 30 EIEDHN CC[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000512631780 1033556288 /nfs/dbraw/zinc/55/62/88/1033556288.db2.gz SOSCNWFTWATKMY-ZFWWWQNUSA-N 0 3 330.378 4.345 20 30 EIEDHN C[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1F ZINC000512636902 1033581116 /nfs/dbraw/zinc/58/11/16/1033581116.db2.gz PNTXICSDGRSIFB-CZUORRHYSA-N 0 3 343.833 4.280 20 30 EIEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000614180077 1033591454 /nfs/dbraw/zinc/59/14/54/1033591454.db2.gz VNSYLABTLUZVCP-HNNXBMFYSA-N 0 3 336.435 4.110 20 30 EIEDHN C[C@H](NC[C@H]1SCCc2ccccc21)c1ccc(C#N)cc1F ZINC000512641293 1033591526 /nfs/dbraw/zinc/59/15/26/1033591526.db2.gz FVJPRLJSMOQGBM-ORAYPTAESA-N 0 3 326.440 4.379 20 30 EIEDHN C[C@H](NC[C@@H]1SCCc2ccccc21)c1ccc(C#N)cc1F ZINC000512641292 1033592619 /nfs/dbraw/zinc/59/26/19/1033592619.db2.gz FVJPRLJSMOQGBM-DJJJIMSYSA-N 0 3 326.440 4.379 20 30 EIEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000614179581 1033609675 /nfs/dbraw/zinc/60/96/75/1033609675.db2.gz SKYJROYKBDVISL-OYLFLEFRSA-N 0 3 340.492 4.076 20 30 EIEDHN C[C@@H](N[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(C#N)cc1F ZINC000512655673 1033627567 /nfs/dbraw/zinc/62/75/67/1033627567.db2.gz WFXSBXVLFMWKNB-CJNGLKHVSA-N 0 3 343.833 4.280 20 30 EIEDHN C[C@@H](N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512668894 1033670272 /nfs/dbraw/zinc/67/02/72/1033670272.db2.gz XDGAAZOFUGMETR-IERDGZPVSA-N 0 3 337.442 4.185 20 30 EIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)N1CCCCCC1 ZINC000509821188 1034046265 /nfs/dbraw/zinc/04/62/65/1034046265.db2.gz SSCIZNPGEVJMQZ-AWEZNQCLSA-N 0 3 340.920 4.181 20 30 EIEDHN CC[C@@H](C)c1ccc([C@@H](NCC(=O)N(CC)CCC#N)C(C)C)cc1 ZINC001167936821 1034750090 /nfs/dbraw/zinc/75/00/90/1034750090.db2.gz NENHFPFBTIECQU-UTKZUKDTSA-N 0 3 343.515 4.249 20 30 EIEDHN COc1ccccc1O[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000513404763 1034919031 /nfs/dbraw/zinc/91/90/31/1034919031.db2.gz ACEMBCZIKHHJGD-APWZRJJASA-N 0 3 336.435 4.171 20 30 EIEDHN COc1ccccc1O[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000513405814 1034920534 /nfs/dbraw/zinc/92/05/34/1034920534.db2.gz JFQSCFDDNCKWGO-LPHOPBHVSA-N 0 3 336.435 4.171 20 30 EIEDHN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 ZINC000182586372 1034970449 /nfs/dbraw/zinc/97/04/49/1034970449.db2.gz OQLQQSUBIHPVHY-CXAGYDPISA-N 0 3 341.842 4.280 20 30 EIEDHN Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1Br ZINC000501050721 1035359964 /nfs/dbraw/zinc/35/99/64/1035359964.db2.gz GOYOJJPLWZHMDF-ZDUSSCGKSA-N 0 3 329.241 4.480 20 30 EIEDHN C=CCC[C@@H](N[C@H]1CCN(c2ccccc2OC)C1)c1ccco1 ZINC000513707791 1035391746 /nfs/dbraw/zinc/39/17/46/1035391746.db2.gz IXXJDPWZFUIICH-DLBZAZTESA-N 0 3 326.440 4.164 20 30 EIEDHN CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000501329927 1035424072 /nfs/dbraw/zinc/42/40/72/1035424072.db2.gz HGJIDHQHZYQEAO-UHFFFAOYSA-N 0 3 334.341 4.088 20 30 EIEDHN N#CC1(CNC2CCN(Cc3ccccc3Cl)CC2)CCCCC1 ZINC000594981404 1035515226 /nfs/dbraw/zinc/51/52/26/1035515226.db2.gz OKHPFNKEPXXVOW-UHFFFAOYSA-N 0 3 345.918 4.368 20 30 EIEDHN CSc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)s1 ZINC000594980312 1035516560 /nfs/dbraw/zinc/51/65/60/1035516560.db2.gz PDBBHQZEHFGIMF-UHFFFAOYSA-N 0 3 344.505 4.137 20 30 EIEDHN N#Cc1csc(CNC(CCC(F)(F)F)CCC(F)(F)F)n1 ZINC000594988246 1035521780 /nfs/dbraw/zinc/52/17/80/1035521780.db2.gz OFVQZEWEPBSTCZ-UHFFFAOYSA-N 0 3 345.312 4.158 20 30 EIEDHN C[C@H](COc1c(F)cccc1F)N[C@@H](C)c1ccc(C#N)cc1F ZINC000595071861 1035555385 /nfs/dbraw/zinc/55/53/85/1035555385.db2.gz CDPBYQVABTWFFN-NEPJUHHUSA-N 0 3 334.341 4.094 20 30 EIEDHN CC[C@@H](NCCc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000595431772 1035680746 /nfs/dbraw/zinc/68/07/46/1035680746.db2.gz OWVSMSDWPARCKV-CYBMUJFWSA-N 0 3 339.386 4.317 20 30 EIEDHN CC(C)(CCC#N)CN1CCc2nc(-c3ccccc3)sc2C1 ZINC000597200900 1036159302 /nfs/dbraw/zinc/15/93/02/1036159302.db2.gz ISSYGIVTUQCBPF-UHFFFAOYSA-N 0 3 325.481 4.498 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1cccc(C)c1 ZINC001168381930 1036244240 /nfs/dbraw/zinc/24/42/40/1036244240.db2.gz JZEZBXMAVZHCDH-IRXDYDNUSA-N 0 3 342.508 4.310 20 30 EIEDHN C=CCN(Cc1ccccc1)C[C@H](O)COc1ccccc1C(C)C ZINC000502500168 1036262841 /nfs/dbraw/zinc/26/28/41/1036262841.db2.gz UJXZOPVWYIBVQX-FQEVSTJZSA-N 0 3 339.479 4.238 20 30 EIEDHN CC(C)(C#N)c1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000588214957 1036303773 /nfs/dbraw/zinc/30/37/73/1036303773.db2.gz KCRWVWZIRGDRTP-LJQANCHMSA-N 0 3 342.870 4.354 20 30 EIEDHN CCc1nc2cc(CNCc3ccc(C#N)c(F)c3)ccc2n1C1CC1 ZINC000421356870 1036334115 /nfs/dbraw/zinc/33/41/15/1036334115.db2.gz MKWBVJRASPOVPB-UHFFFAOYSA-N 0 3 348.425 4.234 20 30 EIEDHN N#Cc1ccccc1NC1CCN(CCCCC(F)(F)F)CC1 ZINC000602895470 1036666580 /nfs/dbraw/zinc/66/65/80/1036666580.db2.gz OHSWPJDENJKAIZ-UHFFFAOYSA-N 0 3 325.378 4.167 20 30 EIEDHN Cc1ccc2ncc(CN3CCC(c4ccc(C#N)cn4)CC3)cc2c1 ZINC000602905638 1036670819 /nfs/dbraw/zinc/67/08/19/1036670819.db2.gz HIKXZYCURILHBE-UHFFFAOYSA-N 0 3 342.446 4.190 20 30 EIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccsc1 ZINC000129671645 1036671617 /nfs/dbraw/zinc/67/16/17/1036671617.db2.gz KRPRFEHZRXCIKP-JTQLQIEISA-N 0 3 339.203 4.016 20 30 EIEDHN C=C(C)COCCN[C@H](C)c1cc2cc(Br)ccc2o1 ZINC000164645266 1036690865 /nfs/dbraw/zinc/69/08/65/1036690865.db2.gz SEVICUDLESWYAZ-GFCCVEGCSA-N 0 3 338.245 4.439 20 30 EIEDHN CCCN(Cc1ccccc1C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502879592 1036747388 /nfs/dbraw/zinc/74/73/88/1036747388.db2.gz ZSGBKZWBSKDCOQ-QGZVFWFLSA-N 0 3 335.451 4.188 20 30 EIEDHN COc1ccc([C@H](NCc2ccc(C(C)(C)C#N)cc2)C2CC2)cn1 ZINC000599019998 1036854707 /nfs/dbraw/zinc/85/47/07/1036854707.db2.gz LCQZHJZMOQNKFC-HXUWFJFHSA-N 0 3 335.451 4.132 20 30 EIEDHN COc1ccccc1C[C@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000170960600 1036956649 /nfs/dbraw/zinc/95/66/49/1036956649.db2.gz WYCZPQGELBRSPA-GOEBONIOSA-N 0 3 348.402 4.282 20 30 EIEDHN CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(C(=O)OC)cc1 ZINC000590254484 1037022563 /nfs/dbraw/zinc/02/25/63/1037022563.db2.gz YXWPWPZQEQYLJK-SFHVURJKSA-N 0 3 342.826 4.239 20 30 EIEDHN C[C@@H](NCCCSCC#N)c1cc(F)c(Br)cc1F ZINC000599542523 1037066761 /nfs/dbraw/zinc/06/67/61/1037066761.db2.gz UWZFKVFUAIHNBJ-SECBINFHSA-N 0 3 349.244 4.025 20 30 EIEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc2ccccc21 ZINC000057555295 1037109476 /nfs/dbraw/zinc/10/94/76/1037109476.db2.gz ZNXIHBOKFWTELS-SJORKVTESA-N 0 3 349.478 4.222 20 30 EIEDHN Cc1cc(F)ccc1CN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000487999412 1037323681 /nfs/dbraw/zinc/32/36/81/1037323681.db2.gz AFWHUWYBAOCONI-UHFFFAOYSA-N 0 3 348.425 4.038 20 30 EIEDHN Cc1ccc2c(CC(=O)C(C#N)c3nc4ccccc4o3)c[nH]c2c1 ZINC000171330238 1037342913 /nfs/dbraw/zinc/34/29/13/1037342913.db2.gz ORLSJLDQYHPSMR-HNNXBMFYSA-N 0 3 329.359 4.037 20 30 EIEDHN CCCOc1c(Cl)cc(CNCC2(CC#N)CC2)cc1OCC ZINC000430065139 1037781114 /nfs/dbraw/zinc/78/11/14/1037781114.db2.gz KAKNPUUFJIHZGZ-UHFFFAOYSA-N 0 3 336.863 4.311 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CCC(C)C)cc2)CC1 ZINC000592339797 1037781936 /nfs/dbraw/zinc/78/19/36/1037781936.db2.gz BNLHSMMWDWULDA-UHFFFAOYSA-N 0 3 343.515 4.437 20 30 EIEDHN N#CCc1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000592391397 1037796249 /nfs/dbraw/zinc/79/62/49/1037796249.db2.gz CALTZKFLQIBLKS-SFHVURJKSA-N 0 3 326.827 4.410 20 30 EIEDHN Cc1ccsc1CCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000129416705 1037963616 /nfs/dbraw/zinc/96/36/16/1037963616.db2.gz XSBLQWMTDSOCJD-MRXNPFEDSA-N 0 3 340.448 4.035 20 30 EIEDHN C=CC[C@@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000489679594 1038208042 /nfs/dbraw/zinc/20/80/42/1038208042.db2.gz MTWIIVNJYWCDRH-FGZHOGPDSA-N 0 3 348.490 4.079 20 30 EIEDHN N#CCc1ccc(CNC2(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000594038104 1038239387 /nfs/dbraw/zinc/23/93/87/1038239387.db2.gz IJLZAGWTYSXZIH-UHFFFAOYSA-N 0 3 346.352 4.430 20 30 EIEDHN Cc1c([C@H](C)N[C@H](C)CC(C)(C)C#N)cnn1-c1ccc(F)cc1 ZINC000924849731 1038268564 /nfs/dbraw/zinc/26/85/64/1038268564.db2.gz OBTVQPQHAIEXBY-KGLIPLIRSA-N 0 3 328.435 4.299 20 30 EIEDHN Cc1c([C@H](C)N[C@@H](C)CC(C)(C)C#N)cnn1-c1ccc(F)cc1 ZINC000924849726 1038281137 /nfs/dbraw/zinc/28/11/37/1038281137.db2.gz OBTVQPQHAIEXBY-KBPBESRZSA-N 0 3 328.435 4.299 20 30 EIEDHN CCc1ccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)N(C)C)cc1 ZINC000912777902 1038291527 /nfs/dbraw/zinc/29/15/27/1038291527.db2.gz XVRCCSGOOHBAKX-KUOTXRDYSA-N 0 3 347.462 4.225 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000594431760 1038333386 /nfs/dbraw/zinc/33/33/86/1038333386.db2.gz QZKUYFJWBRMAMI-INIZCTEOSA-N 0 3 349.862 4.011 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000594440424 1038335452 /nfs/dbraw/zinc/33/54/52/1038335452.db2.gz ZDRTYVYNBVZUOU-VQTJNVASSA-N 0 3 341.499 4.226 20 30 EIEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccc(CC#N)cc1 ZINC000490092981 1038342692 /nfs/dbraw/zinc/34/26/92/1038342692.db2.gz OMMAZVPMNZWTIG-IBGZPJMESA-N 0 3 328.843 4.226 20 30 EIEDHN CCSc1cc(CNCc2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000594498947 1038345608 /nfs/dbraw/zinc/34/56/08/1038345608.db2.gz DNVKBNRWICPSNI-UHFFFAOYSA-N 0 3 325.481 4.285 20 30 EIEDHN CC(C)(C#N)c1ccc(CNCc2cccc(Cn3cccn3)c2)cc1 ZINC000594495641 1038346355 /nfs/dbraw/zinc/34/63/55/1038346355.db2.gz ROKVBWLDBVVNIC-UHFFFAOYSA-N 0 3 344.462 4.022 20 30 EIEDHN CCN(CC)c1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000594495986 1038346436 /nfs/dbraw/zinc/34/64/36/1038346436.db2.gz WDKMZYBLXUCQEY-UHFFFAOYSA-N 0 3 336.483 4.019 20 30 EIEDHN COC(=O)c1ccc2c(c1)[C@H](NC1(c3cccc(C#N)c3)CC1)CCC2 ZINC000594497551 1038346617 /nfs/dbraw/zinc/34/66/17/1038346617.db2.gz GTEDQGKDDOKVGA-HXUWFJFHSA-N 0 3 346.430 4.001 20 30 EIEDHN CC(C)(C#N)c1ccc(CNCc2ccc(Cn3cccn3)cc2)cc1 ZINC000594496057 1038347108 /nfs/dbraw/zinc/34/71/08/1038347108.db2.gz YNVRQLVKVRBJIA-UHFFFAOYSA-N 0 3 344.462 4.022 20 30 EIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000594516733 1038357300 /nfs/dbraw/zinc/35/73/00/1038357300.db2.gz FCHOXOOMISLTBL-CYBMUJFWSA-N 0 3 333.391 4.135 20 30 EIEDHN CC[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCCO2 ZINC000594515285 1038358506 /nfs/dbraw/zinc/35/85/06/1038358506.db2.gz MJWZDPRYMAOFBQ-IBGZPJMESA-N 0 3 348.446 4.450 20 30 EIEDHN COc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1OC(F)F ZINC000594964210 1038552669 /nfs/dbraw/zinc/55/26/69/1038552669.db2.gz CBHUTSYBLUYZNV-UHFFFAOYSA-N 0 3 346.377 4.193 20 30 EIEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(OCC)cc1)c1ccccc1 ZINC000539292751 1038939591 /nfs/dbraw/zinc/93/95/91/1038939591.db2.gz RKDDECFGUBXYNY-HXUWFJFHSA-N 0 3 338.451 4.321 20 30 EIEDHN CC(C)C[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000539297621 1038948092 /nfs/dbraw/zinc/94/80/92/1038948092.db2.gz LTZRZIAMCGLMPJ-PKOBYXMFSA-N 0 3 349.906 4.071 20 30 EIEDHN C=CCC[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000539358984 1038994068 /nfs/dbraw/zinc/99/40/68/1038994068.db2.gz ATFVNHPSJDBBPQ-SFHVURJKSA-N 0 3 330.378 4.200 20 30 EIEDHN COc1c(C)cnc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1C ZINC000608991065 1038996591 /nfs/dbraw/zinc/99/65/91/1038996591.db2.gz IEEFGHSLZGKOQR-UHFFFAOYSA-N 0 3 337.467 4.237 20 30 EIEDHN C=CCC[C@@H](N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccco1 ZINC000552049174 1039072281 /nfs/dbraw/zinc/07/22/81/1039072281.db2.gz NYUHIGCWZSWVAK-WMLDXEAASA-N 0 3 332.394 4.434 20 30 EIEDHN COCCN(Cc1csc2ccccc12)Cc1ccc(C#N)cc1 ZINC000513820093 1039295977 /nfs/dbraw/zinc/29/59/77/1039295977.db2.gz JGSQXYGFGWZPFQ-UHFFFAOYSA-N 0 3 336.460 4.422 20 30 EIEDHN N#CCCN(CC/C=C\c1ccc(Br)cc1)CC1CC1 ZINC000478023800 1039346033 /nfs/dbraw/zinc/34/60/33/1039346033.db2.gz JONMVZPEGBHXAP-RJRFIUFISA-N 0 3 333.273 4.478 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)nc21 ZINC000842306925 1039405741 /nfs/dbraw/zinc/40/57/41/1039405741.db2.gz LNABSBZVUYENLF-MRUHUIDDSA-N 0 3 329.403 4.241 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)nc21 ZINC000842306927 1039408597 /nfs/dbraw/zinc/40/85/97/1039408597.db2.gz LNABSBZVUYENLF-ZOCZFRKYSA-N 0 3 329.403 4.241 20 30 EIEDHN C=C(C)COc1cc(CN[C@@H](c2cccnc2)C2CC2)ccc1OC ZINC000534645635 1039622557 /nfs/dbraw/zinc/62/25/57/1039622557.db2.gz IVFWYPDXVRYZQC-OAQYLSRUSA-N 0 3 338.451 4.286 20 30 EIEDHN CN(C)Cc1ccc(-c2noc(C[C@H](CC#N)c3ccccc3)n2)cc1 ZINC000514755446 1040207160 /nfs/dbraw/zinc/20/71/60/1040207160.db2.gz KBKBGZAZBAFEHR-IBGZPJMESA-N 0 3 346.434 4.038 20 30 EIEDHN C=C[C@@H](CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000535439880 1040272130 /nfs/dbraw/zinc/27/21/30/1040272130.db2.gz IXCGNLWLTCWDNB-RBBKRZOGSA-N 0 3 348.490 4.079 20 30 EIEDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cc1OC ZINC000194351046 1040281523 /nfs/dbraw/zinc/28/15/23/1040281523.db2.gz WYROYANOHVLEPL-GJZGRUSLSA-N 0 3 340.423 4.018 20 30 EIEDHN C=CCCOCCN[C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479396951 1040313960 /nfs/dbraw/zinc/31/39/60/1040313960.db2.gz WGGWAGZWXKQOSP-INIZCTEOSA-N 0 3 342.252 4.222 20 30 EIEDHN N#Cc1cccc(CN2CCC(c3nc4c(s3)CCCC4)CC2)c1 ZINC000425355092 1040324828 /nfs/dbraw/zinc/32/48/28/1040324828.db2.gz UCBUOKRQOAYYGZ-UHFFFAOYSA-N 0 3 337.492 4.273 20 30 EIEDHN CC(C)[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000553709296 1040443950 /nfs/dbraw/zinc/44/39/50/1040443950.db2.gz CMUHZDKLPCFKIC-UCLAIMLFSA-N 0 3 349.906 4.070 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(-c2ccc(C)cc2)n1 ZINC000435746158 1040599545 /nfs/dbraw/zinc/59/95/45/1040599545.db2.gz UIDYFXZENQYOHI-AEFFLSMTSA-N 0 3 328.481 4.189 20 30 EIEDHN C[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000539608465 1040604375 /nfs/dbraw/zinc/60/43/75/1040604375.db2.gz MKEXKLLPQZTQND-NSHDSACASA-N 0 3 338.304 4.447 20 30 EIEDHN C=CCC[C@H](NC(=O)N(CCN(C)C)C1CCCC1)c1ccccc1 ZINC000435758805 1040612864 /nfs/dbraw/zinc/61/28/64/1040612864.db2.gz FUHUFSYDYDOCLS-FQEVSTJZSA-N 0 3 343.515 4.210 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000249255912 1040638260 /nfs/dbraw/zinc/63/82/60/1040638260.db2.gz GKOXGXKDCULORC-XJKSGUPXSA-N 0 3 348.372 4.172 20 30 EIEDHN CCN(Cc1ccc(N(C)C(C)C)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000483165321 1040752148 /nfs/dbraw/zinc/75/21/48/1040752148.db2.gz BXASVJCAYYTLIU-QGZVFWFLSA-N 0 3 336.483 4.381 20 30 EIEDHN Cn1cc(CN2CCCCC[C@H]2/C=C\c2cccs2)cc1C#N ZINC000483307340 1040812104 /nfs/dbraw/zinc/81/21/04/1040812104.db2.gz HDGIVWBKUFNENP-JJEJIETFSA-N 0 3 325.481 4.416 20 30 EIEDHN COc1ccc2[nH]cc(C3CCN(CC#Cc4ccccc4)CC3)c2c1 ZINC000483541069 1040887368 /nfs/dbraw/zinc/88/73/68/1040887368.db2.gz HGNNWBROOVXVLY-UHFFFAOYSA-N 0 3 344.458 4.408 20 30 EIEDHN C=CCOc1ccccc1CNC[C@@H](OC)c1ccc(Cl)cc1 ZINC000462743501 1040892924 /nfs/dbraw/zinc/89/29/24/1040892924.db2.gz SRXZONQNYRKTGJ-LJQANCHMSA-N 0 3 331.843 4.382 20 30 EIEDHN COc1cccc2c1CC[C@@H]2NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000537985035 1040960797 /nfs/dbraw/zinc/96/07/97/1040960797.db2.gz QFHXMOXBGSXODL-SFHVURJKSA-N 0 3 345.364 4.343 20 30 EIEDHN CC(C)(NCc1ccc(C#N)c(F)c1)c1ccc(Br)cc1 ZINC000483933095 1041072061 /nfs/dbraw/zinc/07/20/61/1041072061.db2.gz MKSVBPGWDRKKPO-UHFFFAOYSA-N 0 3 347.231 4.485 20 30 EIEDHN N#Cc1ccc(CN2CC[C@@H](CSc3ccccc3)C2)cc1F ZINC000483956784 1041073123 /nfs/dbraw/zinc/07/31/23/1041073123.db2.gz NTDDLEKWUSJIJD-MRXNPFEDSA-N 0 3 326.440 4.312 20 30 EIEDHN CN(CC#Cc1ccccc1)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000483952696 1041077777 /nfs/dbraw/zinc/07/77/77/1041077777.db2.gz YPMKDOKLVKOAKB-UHFFFAOYSA-N 0 3 347.437 4.132 20 30 EIEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000484090229 1041116054 /nfs/dbraw/zinc/11/60/54/1041116054.db2.gz APZZKKRVJKYPQI-KZULUSFZSA-N 0 3 332.806 4.217 20 30 EIEDHN Clc1ccc(C#CCN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000538193810 1041162019 /nfs/dbraw/zinc/16/20/19/1041162019.db2.gz GOSFAKPCSWVBLC-UYAOXDASSA-N 0 3 325.839 4.059 20 30 EIEDHN C=CCC[C@H](NCC(=O)Nc1cc(C(C)(C)C)no1)c1ccccc1 ZINC000538260217 1041219560 /nfs/dbraw/zinc/21/95/60/1041219560.db2.gz XMXLSXZIHJCHOL-INIZCTEOSA-N 0 3 341.455 4.208 20 30 EIEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CC2)c(OC(F)F)c1 ZINC000538389985 1041308424 /nfs/dbraw/zinc/30/84/24/1041308424.db2.gz MVHHTMFQXNPUJQ-SFHVURJKSA-N 0 3 328.362 4.401 20 30 EIEDHN CCc1ccc(C(C)(C)NCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000540455382 1041477673 /nfs/dbraw/zinc/47/76/73/1041477673.db2.gz FVXQJABTPDJAHI-UHFFFAOYSA-N 0 3 349.478 4.021 20 30 EIEDHN Fc1ccc(C(F)(F)F)cc1CNCCSCC(F)(F)F ZINC000538759916 1041519307 /nfs/dbraw/zinc/51/93/07/1041519307.db2.gz CYTIANAMLKSCEQ-UHFFFAOYSA-N 0 3 335.288 4.230 20 30 EIEDHN Cc1ccccc1OCCN(C)Cc1cccc(OCCCC#N)c1 ZINC000506129451 1041909269 /nfs/dbraw/zinc/90/92/69/1041909269.db2.gz XYRPEEYFRMAAEO-UHFFFAOYSA-N 0 3 338.451 4.188 20 30 EIEDHN CN(CCOc1ccc(Cl)cc1Cl)Cc1cccc(C#N)c1 ZINC000506136032 1041920193 /nfs/dbraw/zinc/92/01/93/1041920193.db2.gz PWZNEZIUJTTWDQ-UHFFFAOYSA-N 0 3 335.234 4.376 20 30 EIEDHN Clc1cccc(C#CCN2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000438170648 1042070021 /nfs/dbraw/zinc/07/00/21/1042070021.db2.gz QPHDQIAMFFLQKR-HXUWFJFHSA-N 0 3 339.866 4.230 20 30 EIEDHN COc1ccc2oc(CN(Cc3ccc(C#N)cc3)C3CC3)cc2c1 ZINC000506553110 1042593696 /nfs/dbraw/zinc/59/36/96/1042593696.db2.gz UHBMHXGBLOLRNM-UHFFFAOYSA-N 0 3 332.403 4.478 20 30 EIEDHN C=CCOc1cccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000506631408 1042706316 /nfs/dbraw/zinc/70/63/16/1042706316.db2.gz IFGWLGCMQDEEAX-UHFFFAOYSA-N 0 3 345.446 4.417 20 30 EIEDHN Cc1cc(CN[C@@H]2CCc3c2cccc3Br)ccc1C#N ZINC000443986900 1042735052 /nfs/dbraw/zinc/73/50/52/1042735052.db2.gz GLAAUWZFTUVTSM-GOSISDBHSA-N 0 3 341.252 4.406 20 30 EIEDHN Cc1cc(CNCc2cccc(COCC(F)(F)F)c2)ccc1C#N ZINC000443997677 1042744078 /nfs/dbraw/zinc/74/40/78/1042744078.db2.gz YDWYSOAQOWNLOR-UHFFFAOYSA-N 0 3 348.368 4.235 20 30 EIEDHN Cc1cc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)ccc1C#N ZINC000443998442 1042744139 /nfs/dbraw/zinc/74/41/39/1042744139.db2.gz USTOBUWJUVOMTR-UHFFFAOYSA-N 0 3 336.435 4.112 20 30 EIEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000322985579 1042839221 /nfs/dbraw/zinc/83/92/21/1042839221.db2.gz XFZPTLQBVRVUMU-QXAKKESOSA-N 0 3 332.875 4.117 20 30 EIEDHN CC(C)CC[C@@H]1CCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000493571985 1042931626 /nfs/dbraw/zinc/93/16/26/1042931626.db2.gz IZUGQMCNMJWUCX-FUHWJXTLSA-N 0 3 338.455 4.303 20 30 EIEDHN CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000008002582 1043047047 /nfs/dbraw/zinc/04/70/47/1043047047.db2.gz KMBHDMSNXIOOTN-LJQANCHMSA-N 0 3 341.842 4.137 20 30 EIEDHN N#Cc1ccccc1N1CCCN(Cc2cc3ccccc3o2)CC1 ZINC000509148480 1043071498 /nfs/dbraw/zinc/07/14/98/1043071498.db2.gz ANPCJJQQXCJHDG-UHFFFAOYSA-N 0 3 331.419 4.017 20 30 EIEDHN C=C(C)[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc(F)c(F)c1 ZINC000184847049 1043134140 /nfs/dbraw/zinc/13/41/40/1043134140.db2.gz ZRGPDWUPYAGMNS-LJQANCHMSA-N 0 3 344.405 4.074 20 30 EIEDHN CCS[C@H]1CCC[C@H]1NCc1ccc(Br)cc1C#N ZINC000311597252 1043310712 /nfs/dbraw/zinc/31/07/12/1043310712.db2.gz FPTDKLWEPMNPSX-CABCVRRESA-N 0 3 339.302 4.085 20 30 EIEDHN C[C@@H](N[C@H](C)c1csc2ccccc21)C(=O)Nc1ccccc1C#N ZINC000730019868 1043435331 /nfs/dbraw/zinc/43/53/31/1043435331.db2.gz TYUTWUNVQGHVBF-ZIAGYGMSSA-N 0 3 349.459 4.451 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]2C(C)(C)C)c1 ZINC000609195439 1043447046 /nfs/dbraw/zinc/44/70/46/1043447046.db2.gz TVYIXPSPHBIMDZ-IBGZPJMESA-N 0 3 341.499 4.061 20 30 EIEDHN CCN(C)c1ccccc1CNCc1cccc(OCCCC#N)c1 ZINC000730108042 1043448202 /nfs/dbraw/zinc/44/82/02/1043448202.db2.gz COSCQGNMKYSXHF-UHFFFAOYSA-N 0 3 337.467 4.115 20 30 EIEDHN CCC(CC)N(CC(=O)N(CCC#N)c1cccc(C)c1C)C1CC1 ZINC000609203665 1043481334 /nfs/dbraw/zinc/48/13/34/1043481334.db2.gz OUABSGSFTPUQHA-UHFFFAOYSA-N 0 3 341.499 4.203 20 30 EIEDHN CC(C)[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000010137311 1043732135 /nfs/dbraw/zinc/73/21/35/1043732135.db2.gz BOBRPEUZUFJODR-IBGZPJMESA-N 0 3 341.842 4.137 20 30 EIEDHN Cc1cccc(COc2ccc(CNCc3cc(C#N)n(C)c3)cc2)c1 ZINC000190757372 1043735674 /nfs/dbraw/zinc/73/56/74/1043735674.db2.gz OCXRERLJIPQBQS-UHFFFAOYSA-N 0 3 345.446 4.074 20 30 EIEDHN CCOc1ccccc1Oc1ccc(CN[C@H]2CC[C@H](C#N)C2)cn1 ZINC000442719568 1043822900 /nfs/dbraw/zinc/82/29/00/1043822900.db2.gz QISCUCKPEFRQBE-RDJZCZTQSA-N 0 3 337.423 4.054 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccccc2COC)c([O-])c1 ZINC000914557822 1044482083 /nfs/dbraw/zinc/48/20/83/1044482083.db2.gz LQUCOQVWECXPHG-STZFKDTASA-N 0 3 326.440 4.004 20 30 EIEDHN C=CC[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000494922194 1044520492 /nfs/dbraw/zinc/52/04/92/1044520492.db2.gz OAFBYQAFHCSSCW-VXKWHMMOSA-N 0 3 348.490 4.300 20 30 EIEDHN C=CC[C@@H](CO)CN[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000495063587 1044630569 /nfs/dbraw/zinc/63/05/69/1044630569.db2.gz HCSXDUGGASJBAR-KUHUBIRLSA-N 0 3 333.834 4.343 20 30 EIEDHN C=CC[C@@H](CO)CN[C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000495072044 1044636847 /nfs/dbraw/zinc/63/68/47/1044636847.db2.gz ZMSGALFUPMDHFB-FOIQADDNSA-N 0 3 345.870 4.212 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000118393524 1044667611 /nfs/dbraw/zinc/66/76/11/1044667611.db2.gz WPKUMHGSXDVBQS-CQSZACIVSA-N 0 3 342.389 4.441 20 30 EIEDHN CC[C@@H](C/N=C\c1cc(Cl)ccc1[O-])[N@@H+]1CCc2ccccc2C1 ZINC000914701393 1044677509 /nfs/dbraw/zinc/67/75/09/1044677509.db2.gz HKEDIRXLMFAQAK-ZIHVZMLCSA-N 0 3 342.870 4.301 20 30 EIEDHN CC[C@@H](C/N=C\c1cc(Cl)ccc1[O-])[N@H+]1CCc2ccccc2C1 ZINC000914701393 1044677519 /nfs/dbraw/zinc/67/75/19/1044677519.db2.gz HKEDIRXLMFAQAK-ZIHVZMLCSA-N 0 3 342.870 4.301 20 30 EIEDHN C=CC[C@H](C(=O)NC[C@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000495139931 1044714180 /nfs/dbraw/zinc/71/41/80/1044714180.db2.gz NDOSSRQKOFOATH-LEWJYISDSA-N 0 3 336.479 4.074 20 30 EIEDHN CCCCn1ncc(C(=O)C(C#N)c2ccc3ccccc3n2)c1C ZINC000676459034 1044747391 /nfs/dbraw/zinc/74/73/91/1044747391.db2.gz QTKJQASCUOVGQY-INIZCTEOSA-N 0 3 332.407 4.030 20 30 EIEDHN CCCCCCCCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000914778417 1044756860 /nfs/dbraw/zinc/75/68/60/1044756860.db2.gz SRHHRFPFNPVLGT-UHFFFAOYSA-N 0 3 334.504 4.453 20 30 EIEDHN COc1cc(F)ccc1N=NC(C)c1ccc(-n2ccnc2C)cc1 ZINC000761884697 1044814988 /nfs/dbraw/zinc/81/49/88/1044814988.db2.gz LPLJPSCJNHNIMS-UHFFFAOYSA-N 0 3 338.386 4.165 20 30 EIEDHN N#CC(C(=O)C[C@@H]1CCOc2ccccc21)c1ccc2ccccc2n1 ZINC000735592930 1044842983 /nfs/dbraw/zinc/84/29/83/1044842983.db2.gz FNNQTQFEDKCMJH-WMZOPIPTSA-N 0 3 342.398 4.367 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3c(F)cccc3Cl)nc21 ZINC000735790978 1044866486 /nfs/dbraw/zinc/86/64/86/1044866486.db2.gz SRCQCNCEXDCNMT-GFCCVEGCSA-N 0 3 341.773 4.083 20 30 EIEDHN CC(C)CN(Cc1ccc(C#N)cc1F)C[C@H](O)c1ccc(F)cc1 ZINC000735872357 1044871848 /nfs/dbraw/zinc/87/18/48/1044871848.db2.gz BWWKJIGHXZIRMV-FQEVSTJZSA-N 0 3 344.405 4.028 20 30 EIEDHN FC(F)(F)c1ccc(C#CCN2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000625775062 1044873230 /nfs/dbraw/zinc/87/32/30/1044873230.db2.gz VMVHMYRLWFDLAC-CVEARBPZSA-N 0 3 325.399 4.027 20 30 EIEDHN CC[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)N(CC)CC ZINC000736003308 1044887864 /nfs/dbraw/zinc/88/78/64/1044887864.db2.gz XOISJDIBYPPEBF-RTWAWAEBSA-N 0 3 349.478 4.401 20 30 EIEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(Br)c1 ZINC000035231467 1045150392 /nfs/dbraw/zinc/15/03/92/1045150392.db2.gz VBSBVDUJONECGW-ZDUSSCGKSA-N 0 3 345.240 4.202 20 30 EIEDHN C=CCCCCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000739930387 1045176412 /nfs/dbraw/zinc/17/64/12/1045176412.db2.gz LHPYYUJSWVMNIW-HNNXBMFYSA-N 0 3 341.480 4.151 20 30 EIEDHN N#CC(C(=O)CCCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000193401402 1045178179 /nfs/dbraw/zinc/17/81/79/1045178179.db2.gz KBKAKDIUNLGFQM-QGZVFWFLSA-N 0 3 340.810 4.010 20 30 EIEDHN CC(C)(CCC#N)CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000611264022 1045269197 /nfs/dbraw/zinc/26/91/97/1045269197.db2.gz XZVGSHQLMYVXTN-QWRGUYRKSA-N 0 3 330.316 4.379 20 30 EIEDHN Cc1cc(C)n(-c2ccc(CN[C@H](C)c3cccc(C#N)c3)cc2)n1 ZINC000611387456 1045295444 /nfs/dbraw/zinc/29/54/44/1045295444.db2.gz ORJLYXDORGYOPJ-QGZVFWFLSA-N 0 3 330.435 4.212 20 30 EIEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393053 1045299528 /nfs/dbraw/zinc/29/95/28/1045299528.db2.gz FEMJPJVFFBQZHC-UXHICEINSA-N 0 3 334.419 4.058 20 30 EIEDHN C[C@@H](NCc1cccc(C(=O)OC(C)(C)C)c1)c1cccc(C#N)c1 ZINC000611439349 1045308774 /nfs/dbraw/zinc/30/87/74/1045308774.db2.gz YKNWXEPTDJBSBF-OAHLLOKOSA-N 0 3 336.435 4.364 20 30 EIEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000272341377 1045417078 /nfs/dbraw/zinc/41/70/78/1045417078.db2.gz ZQEOSIZGICRUQG-MRXNPFEDSA-N 0 3 345.446 4.025 20 30 EIEDHN Cc1ccccc1CN1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000804356268 1045547524 /nfs/dbraw/zinc/54/75/24/1045547524.db2.gz DIUDOTPCMMIONZ-UHFFFAOYSA-N 0 3 346.887 4.053 20 30 EIEDHN COc1ncc(CN(Cc2ccc(C#N)cc2)CC(C)C)cc1Cl ZINC000533558509 1045573662 /nfs/dbraw/zinc/57/36/62/1045573662.db2.gz WRRHYRUVWNGLLC-UHFFFAOYSA-N 0 3 343.858 4.273 20 30 EIEDHN CN(CCCC#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000067117405 1045738412 /nfs/dbraw/zinc/73/84/12/1045738412.db2.gz FSUNQBPULAQNOQ-ZDUSSCGKSA-N 0 3 325.275 4.222 20 30 EIEDHN CCO[C@@H](C(=O)C(C#N)c1nccc2ccccc21)c1ccccc1 ZINC000792100863 1045856226 /nfs/dbraw/zinc/85/62/26/1045856226.db2.gz MSMKVAYADPRQDO-WIYYLYMNSA-N 0 3 330.387 4.189 20 30 EIEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000249254545 1045895558 /nfs/dbraw/zinc/89/55/58/1045895558.db2.gz GHCIPVGRLWFLDB-UKPHBRMFSA-N 0 3 335.373 4.375 20 30 EIEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 ZINC000067690902 1045983356 /nfs/dbraw/zinc/98/33/56/1045983356.db2.gz NPBVHNLFJLHSIB-KRWDZBQOSA-N 0 3 343.430 4.383 20 30 EIEDHN CCOc1cccc(/C=N/C[C@H](c2cccs2)N2CCCC2)c1O ZINC000005293090 1046232399 /nfs/dbraw/zinc/23/23/99/1046232399.db2.gz LAAUVPLWRWLIJB-RBYWHNRPSA-N 0 3 344.480 4.108 20 30 EIEDHN N#CCOc1ccc(CN2CCC(c3cccc(F)c3F)CC2)cc1 ZINC000770685957 1046251965 /nfs/dbraw/zinc/25/19/65/1046251965.db2.gz CWHKLBGQWDJDFX-UHFFFAOYSA-N 0 3 342.389 4.247 20 30 EIEDHN C=CCC[C@H](C(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC001127417593 1046323815 /nfs/dbraw/zinc/32/38/15/1046323815.db2.gz YOSTUJIOPHHLDI-NRFANRHFSA-N 0 3 340.511 4.213 20 30 EIEDHN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000916882445 1046416038 /nfs/dbraw/zinc/41/60/38/1046416038.db2.gz FGHBZYMHCXWYLL-ARFHVFGLSA-N 0 3 344.842 4.226 20 30 EIEDHN N#C[C@@H]1CCC[C@H]1NCCCCOc1ccccc1C(F)(F)F ZINC000459456611 1046692374 /nfs/dbraw/zinc/69/23/74/1046692374.db2.gz CDSJINICXSBTSO-DZGCQCFKSA-N 0 3 326.362 4.146 20 30 EIEDHN COc1ccc([C@H](C)NCc2ccc(OC)c(C#N)c2)cc1Cl ZINC000746576142 1046825116 /nfs/dbraw/zinc/82/51/16/1046825116.db2.gz LMDPCKZIIIOTJG-LBPRGKRZSA-N 0 3 330.815 4.080 20 30 EIEDHN CC(C)(CC#N)CNCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000459696417 1046860535 /nfs/dbraw/zinc/86/05/35/1046860535.db2.gz PLZDAUTWWZWDRJ-UHFFFAOYSA-N 0 3 325.239 4.299 20 30 EIEDHN CC(C)(C)c1nn(Cc2ccccc2)cc1CNCC(C)(C)CC#N ZINC000459728805 1046865774 /nfs/dbraw/zinc/86/57/74/1046865774.db2.gz IUOKZOKAAIKBIB-UHFFFAOYSA-N 0 3 338.499 4.258 20 30 EIEDHN COc1ccccc1[C@@H](C/N=C/c1ccccc1O)N1CCCCC1 ZINC000917559292 1046972493 /nfs/dbraw/zinc/97/24/93/1046972493.db2.gz KEXRDBODXVLNPR-QTCOBDOFSA-N 0 3 338.451 4.047 20 30 EIEDHN N#Cc1ccc(OC2CCN(Cc3ccccc3CF)CC2)c(F)c1 ZINC001170075556 1047030007 /nfs/dbraw/zinc/03/00/07/1047030007.db2.gz SHTUBXVWEJWZKE-UHFFFAOYSA-N 0 3 342.389 4.210 20 30 EIEDHN COc1ccc(CN(CC2(C#N)CC2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000537290062 1047069914 /nfs/dbraw/zinc/06/99/14/1047069914.db2.gz IFALWTFMKBWKSF-WMZOPIPTSA-N 0 3 342.483 4.388 20 30 EIEDHN COc1ccc(CNCc2cc(C)c(OC(F)F)c(C)c2)cc1C#N ZINC000746743179 1047162879 /nfs/dbraw/zinc/16/28/79/1047162879.db2.gz WYZWISKYWDVKMB-UHFFFAOYSA-N 0 3 346.377 4.075 20 30 EIEDHN C[C@H](NCCOCc1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000537409134 1047202518 /nfs/dbraw/zinc/20/25/18/1047202518.db2.gz ZVZSCPATTSHYAE-ZDUSSCGKSA-N 0 3 332.806 4.218 20 30 EIEDHN CCOc1cccc(/C=N/C[C@@H](c2ccc(Cl)cc2)N(C)C)c1O ZINC000746817487 1047427934 /nfs/dbraw/zinc/42/79/34/1047427934.db2.gz ZUEBDTBCLPECJE-RHLNUJDMSA-N 0 3 346.858 4.166 20 30 EIEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(-n2cccn2)c(F)c1 ZINC000556242889 1047611493 /nfs/dbraw/zinc/61/14/93/1047611493.db2.gz XIRKJJVSWDAJAG-VBKZILBWSA-N 0 3 346.409 4.221 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)c2ccc(Cl)cc2)c([O-])c1 ZINC000814183278 1047881186 /nfs/dbraw/zinc/88/11/86/1047881186.db2.gz IFLPOBSKEHQDKB-VFAFIFLJSA-N 0 3 346.858 4.044 20 30 EIEDHN Cc1cc(CN[C@H](C)c2ccc(N3CCCOC3=O)cc2)ccc1C#N ZINC000814302666 1047968981 /nfs/dbraw/zinc/96/89/81/1047968981.db2.gz HSHVNPSIYCDODW-MRXNPFEDSA-N 0 3 349.434 4.064 20 30 EIEDHN CC(=NNc1cccc(C(F)(F)F)c1)c1cc(F)c(N)c(F)c1 ZINC000814689875 1048133215 /nfs/dbraw/zinc/13/32/15/1048133215.db2.gz JTZBMGQRURWNMA-UHFFFAOYSA-N 0 3 329.272 4.402 20 30 EIEDHN C=C(C)CN(CC)Cc1cnc(-c2ccc(OC)c(OC)c2)s1 ZINC001144068186 1048395289 /nfs/dbraw/zinc/39/52/89/1048395289.db2.gz RZXHTWSTBCEMTM-UHFFFAOYSA-N 0 3 332.469 4.225 20 30 EIEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000809606062 1048413713 /nfs/dbraw/zinc/41/37/13/1048413713.db2.gz TUKLEUNMNOIGCW-SFHVURJKSA-N 0 3 342.442 4.493 20 30 EIEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(OC)c(Br)c2)cc1 ZINC000809603045 1048436553 /nfs/dbraw/zinc/43/65/53/1048436553.db2.gz HYTHTRQWMMXWEV-ZDUSSCGKSA-N 0 3 344.252 4.290 20 30 EIEDHN C#C[C@@H](NCc1cn(-c2ccccc2)nc1-c1cccnc1)C(C)(C)C ZINC000809781409 1048530775 /nfs/dbraw/zinc/53/07/75/1048530775.db2.gz QSQVYBHUTHQLNV-HXUWFJFHSA-N 0 3 344.462 4.072 20 30 EIEDHN CN(CCC#N)c1ccc(CN2Cc3ccccc3OC(C)(C)C2)cc1 ZINC000809790083 1048534271 /nfs/dbraw/zinc/53/42/71/1048534271.db2.gz XBPRKYAMVDRKIL-UHFFFAOYSA-N 0 3 349.478 4.210 20 30 EIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000815650668 1048576028 /nfs/dbraw/zinc/57/60/28/1048576028.db2.gz YIOIOGOKHIGUJN-CYBMUJFWSA-N 0 3 349.352 4.290 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001170593680 1048594867 /nfs/dbraw/zinc/59/48/67/1048594867.db2.gz NJHFHPLNJIYXIA-LIRRHRJNSA-N 0 3 326.827 4.426 20 30 EIEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)C(C)(F)F ZINC000815922666 1048635608 /nfs/dbraw/zinc/63/56/08/1048635608.db2.gz WSPHUWHAZBLYER-GXFFZTMASA-N 0 3 345.374 4.149 20 30 EIEDHN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000810128157 1048640089 /nfs/dbraw/zinc/64/00/89/1048640089.db2.gz DFJZEQDURCIDCL-IAGOWNOFSA-N 0 3 347.462 4.487 20 30 EIEDHN C=CCCN(Cc1ccccc1)Cc1cncc(Br)c1 ZINC001206119441 1048662615 /nfs/dbraw/zinc/66/26/15/1048662615.db2.gz NTCVRSSBWXNTFP-UHFFFAOYSA-N 0 3 331.257 4.422 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)NCC(=O)c1ccc(Cl)c(Cl)c1 ZINC001171190275 1048692972 /nfs/dbraw/zinc/69/29/72/1048692972.db2.gz RFECAUXHVLHLJG-LBPRGKRZSA-N 0 3 347.245 4.269 20 30 EIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC001135483775 1048745849 /nfs/dbraw/zinc/74/58/49/1048745849.db2.gz LVGYTEBJEVBDOV-MCIONIFRSA-N 0 3 340.920 4.177 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H](c1ncccc1Cl)C1CC1 ZINC001171201105 1048751038 /nfs/dbraw/zinc/75/10/38/1048751038.db2.gz HWVUKGUROLNTMF-UGSOOPFHSA-N 0 3 325.843 4.279 20 30 EIEDHN CCOc1ccc(O)c(/C=N\C[C@@H](c2ccc(CC)cc2)N(C)C)c1 ZINC000920944775 1048818678 /nfs/dbraw/zinc/81/86/78/1048818678.db2.gz KFDZLZLLNNUXDP-ALFKQNEGSA-N 0 3 340.467 4.075 20 30 EIEDHN CCC[C@@H](C(=O)C(C#N)c1nc(C(C)C)cs1)c1ccccn1 ZINC000810606397 1048832205 /nfs/dbraw/zinc/83/22/05/1048832205.db2.gz WVRQYBNDDIZRLH-KGLIPLIRSA-N 0 3 327.453 4.422 20 30 EIEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000218034613 1048836660 /nfs/dbraw/zinc/83/66/60/1048836660.db2.gz ZSEZFNQRSCHRJM-YOEHRIQHSA-N 0 3 347.890 4.112 20 30 EIEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3ccc4scnc4c3)C2)cc1 ZINC001144744110 1048848544 /nfs/dbraw/zinc/84/85/44/1048848544.db2.gz KKXUQNFXNXJVKG-SFHVURJKSA-N 0 3 349.459 4.211 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC2(CC(OCc3ccccc3)C2)C1 ZINC001171229464 1048869571 /nfs/dbraw/zinc/86/95/71/1048869571.db2.gz NQTLWVCNDAMNLD-SFHVURJKSA-N 0 3 346.474 4.170 20 30 EIEDHN C=CCc1cc(CN[C@@H](C)c2sc(C)nc2C)cc(OC)c1OC ZINC000772955893 1048932098 /nfs/dbraw/zinc/93/20/98/1048932098.db2.gz RKXGHLXYNRZJPQ-LBPRGKRZSA-N 0 3 346.496 4.356 20 30 EIEDHN Cc1cc(C)c(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)o1 ZINC000175109650 1049117264 /nfs/dbraw/zinc/11/72/64/1049117264.db2.gz DVRZKLCNFWGPRP-MRXNPFEDSA-N 0 3 332.359 4.011 20 30 EIEDHN N#CC(C(=O)Nc1cccc(Cl)c1)c1nc2cc(F)ccc2s1 ZINC000609627439 1049212587 /nfs/dbraw/zinc/21/25/87/1049212587.db2.gz WILMSDIADBXVAW-LBPRGKRZSA-N 0 3 345.786 4.335 20 30 EIEDHN N#CCC[C@H](NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000819184212 1049275204 /nfs/dbraw/zinc/27/52/04/1049275204.db2.gz WVHQRPYMZHFRPL-ZWKOTPCHSA-N 0 3 348.368 4.373 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2C(C)C)c1 ZINC000609767209 1049310328 /nfs/dbraw/zinc/31/03/28/1049310328.db2.gz TTYVZJOSMRQCEY-HXUWFJFHSA-N 0 3 341.499 4.061 20 30 EIEDHN COc1ccc(CN[C@H](C)c2cccc(-c3ccncc3)c2)cc1C#N ZINC000773074633 1049564223 /nfs/dbraw/zinc/56/42/23/1049564223.db2.gz GWYHCIAPWKZECV-MRXNPFEDSA-N 0 3 343.430 4.480 20 30 EIEDHN COc1ccc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)cc1C#N ZINC000773082928 1049569744 /nfs/dbraw/zinc/56/97/44/1049569744.db2.gz IFPNDNJVNZAVTM-HXUWFJFHSA-N 0 3 348.446 4.059 20 30 EIEDHN CC(C)(NCc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000037129023 1049660318 /nfs/dbraw/zinc/66/03/18/1049660318.db2.gz IDMJIUAZXGATAN-UHFFFAOYSA-N 0 3 329.241 4.346 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000237701417 1049707164 /nfs/dbraw/zinc/70/71/64/1049707164.db2.gz JQKVMYPVSHPBQS-ZDUSSCGKSA-N 0 3 334.341 4.286 20 30 EIEDHN CC[C@@H](OC1CCCC1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215017 1049709690 /nfs/dbraw/zinc/70/96/90/1049709690.db2.gz HGPSBLDCEXYBMO-DZGCQCFKSA-N 0 3 340.345 4.014 20 30 EIEDHN N#Cc1ccc2ncc(CN[C@@H](c3ccc(Cl)cc3)C3CC3)n2c1 ZINC000237754149 1049745021 /nfs/dbraw/zinc/74/50/21/1049745021.db2.gz ULTNZYDBDMLBMR-LJQANCHMSA-N 0 3 336.826 4.100 20 30 EIEDHN C=C[C@@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC001171835619 1049811385 /nfs/dbraw/zinc/81/13/85/1049811385.db2.gz LESLXLYCKFSIOH-FCHUYYIVSA-N 0 3 348.490 4.127 20 30 EIEDHN C=C(C)CN(CC[C@@H]1CC1(Cl)Cl)Cc1cnn(C(C)C)c1 ZINC000823121160 1049825400 /nfs/dbraw/zinc/82/54/00/1049825400.db2.gz GSWVKGTZTSSMND-OAHLLOKOSA-N 0 3 330.303 4.426 20 30 EIEDHN CCCCCCC[C@H](CC)N1CCc2onc(Cn3cccn3)c2C1 ZINC001172354823 1049893158 /nfs/dbraw/zinc/89/31/58/1049893158.db2.gz KWHWVLOTXGOSBX-KRWDZBQOSA-N 0 3 344.503 4.417 20 30 EIEDHN C[C@H](CCCC#N)N[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC001172490627 1049920852 /nfs/dbraw/zinc/92/08/52/1049920852.db2.gz JGAQMXVDNPAIIR-OXQOHEQNSA-N 0 3 332.451 4.335 20 30 EIEDHN C[C@@H](CCCC#N)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001172507430 1049926044 /nfs/dbraw/zinc/92/60/44/1049926044.db2.gz UINYUEHGURGJLH-FQEVSTJZSA-N 0 3 347.506 4.476 20 30 EIEDHN N#Cc1ccc(OCCNC(c2ccccc2)c2ccccc2)cc1 ZINC000069302641 1050040948 /nfs/dbraw/zinc/04/09/48/1050040948.db2.gz MFQNHQQDCCAZBO-UHFFFAOYSA-N 0 3 328.415 4.316 20 30 EIEDHN N=C(NC1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC001172818315 1050161475 /nfs/dbraw/zinc/16/14/75/1050161475.db2.gz JWOQZZRCHNBYEA-UHFFFAOYSA-N 0 3 327.859 4.242 20 30 EIEDHN CCCOCc1ccccc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000181529942 1050184480 /nfs/dbraw/zinc/18/44/80/1050184480.db2.gz MVINOJOJFNBTSN-KRWDZBQOSA-N 0 3 338.451 4.366 20 30 EIEDHN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCC1(C#N)CCCC1 ZINC001173075233 1050289819 /nfs/dbraw/zinc/28/98/19/1050289819.db2.gz YRDXPBPZFIZLTP-ZDUSSCGKSA-N 0 3 326.362 4.190 20 30 EIEDHN N#CC(Cc1cccs1)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC001177904189 1050324752 /nfs/dbraw/zinc/32/47/52/1050324752.db2.gz NQZJSXSKULYPCA-ZDUSSCGKSA-N 0 3 339.445 4.193 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000181956316 1050396675 /nfs/dbraw/zinc/39/66/75/1050396675.db2.gz QAXNVTUPWVHIKO-HNAYVOBHSA-N 0 3 349.434 4.099 20 30 EIEDHN C=CCOC1CCC(N(C)[C@H](CCC)C(=O)c2ccccc2)CC1 ZINC001173322722 1050415241 /nfs/dbraw/zinc/41/52/41/1050415241.db2.gz JWMAJKRJWWNLIB-SOAGJPPSSA-N 0 3 329.484 4.484 20 30 EIEDHN CCCOc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000618741208 1050501079 /nfs/dbraw/zinc/50/10/79/1050501079.db2.gz DLEUNEGYESOPQL-LJQANCHMSA-N 0 3 336.435 4.133 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(OC(F)(F)F)cc1 ZINC000618742180 1050503696 /nfs/dbraw/zinc/50/36/96/1050503696.db2.gz KMAWXXFKRLZRBQ-QGZVFWFLSA-N 0 3 332.325 4.234 20 30 EIEDHN CC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(OC)c(OC)c1 ZINC000618803289 1050533813 /nfs/dbraw/zinc/53/38/13/1050533813.db2.gz SKZIIQWEGIQGRI-MOPGFXCFSA-N 0 3 336.435 4.304 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCCc1cc(C)ccc1F ZINC001178731513 1050540162 /nfs/dbraw/zinc/54/01/62/1050540162.db2.gz SATWAMXGWZGQRT-UHFFFAOYSA-N 0 3 331.818 4.132 20 30 EIEDHN C=C(C)CCNCc1cc(Br)ccc1Br ZINC001178769568 1050550309 /nfs/dbraw/zinc/55/03/09/1050550309.db2.gz OSSBCDRGAHTPAM-UHFFFAOYSA-N 0 3 333.067 4.267 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)SC)cc1 ZINC000773770099 1050551591 /nfs/dbraw/zinc/55/15/91/1050551591.db2.gz LTRGSLYICFPJFB-PBHICJAKSA-N 0 3 346.496 4.208 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)SC)cc1 ZINC000773770652 1050556383 /nfs/dbraw/zinc/55/63/83/1050556383.db2.gz OVYHBECWOSVOJO-JJRVBVJISA-N 0 3 346.496 4.379 20 30 EIEDHN CC(C)(NCc1cccc(Br)c1)c1cccc(C#N)c1 ZINC001179140743 1050640136 /nfs/dbraw/zinc/64/01/36/1050640136.db2.gz SIBRZHVDABMYGS-UHFFFAOYSA-N 0 3 329.241 4.346 20 30 EIEDHN Cc1ccc(CNCc2c[nH]nc2-c2ccc(Cl)cc2)cc1C#N ZINC001179562574 1050717024 /nfs/dbraw/zinc/71/70/24/1050717024.db2.gz GHFSBVWVONVPEM-UHFFFAOYSA-N 0 3 336.826 4.200 20 30 EIEDHN C=CCOc1ccc(CN(Cc2cnc(CC)nc2)C(C)(C)C)cc1 ZINC001179992779 1050843674 /nfs/dbraw/zinc/84/36/74/1050843674.db2.gz ABRNLXRWONBETD-UHFFFAOYSA-N 0 3 339.483 4.405 20 30 EIEDHN COCCOc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619754821 1050883651 /nfs/dbraw/zinc/88/36/51/1050883651.db2.gz LISSGHJPIQAZQS-CQSZACIVSA-N 0 3 344.842 4.088 20 30 EIEDHN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000619754798 1050883804 /nfs/dbraw/zinc/88/38/04/1050883804.db2.gz KUKOEIBSQCZLAU-KRWDZBQOSA-N 0 3 330.790 4.136 20 30 EIEDHN C#CCN(Cc1ccc(O[C@H](C)COC)cc1)[C@@H]1CCc2ccccc21 ZINC001180296819 1050959790 /nfs/dbraw/zinc/95/97/90/1050959790.db2.gz MBZRDBRSXQPKEX-WZONZLPQSA-N 0 3 349.474 4.223 20 30 EIEDHN CCCCC[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000775320864 1051061468 /nfs/dbraw/zinc/06/14/68/1051061468.db2.gz VQGQKTGLKIKQPZ-NRFANRHFSA-N 0 3 349.478 4.086 20 30 EIEDHN Cc1ccc(N2CCN(CCCCC3(C#N)CCC3)CC2)c(C)c1 ZINC001174788757 1051173592 /nfs/dbraw/zinc/17/35/92/1051173592.db2.gz CXTRXDFMZQDICE-UHFFFAOYSA-N 0 3 325.500 4.290 20 30 EIEDHN Cc1csc(C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000155395190 1051414778 /nfs/dbraw/zinc/41/47/78/1051414778.db2.gz FVRGVDISVMBIEW-SECBINFHSA-N 0 3 326.208 4.004 20 30 EIEDHN N#CC(C(=O)C1CCC(C(F)(F)F)CC1)c1nc2ccccc2[nH]1 ZINC000774034347 1051425796 /nfs/dbraw/zinc/42/57/96/1051425796.db2.gz KMSZMGLODAZKAS-MCIGGMRASA-N 0 3 335.329 4.108 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC(C(F)(F)F)CC1 ZINC000774036615 1051427554 /nfs/dbraw/zinc/42/75/54/1051427554.db2.gz XTCREOSDRLXICP-WXRRBKDZSA-N 0 3 349.356 4.118 20 30 EIEDHN N#Cc1cncc(CN[C@H](CCc2ccccc2)c2ccccc2)c1 ZINC001192672559 1051790780 /nfs/dbraw/zinc/79/07/80/1051790780.db2.gz IGRMTDBCKLNNNI-JOCHJYFZSA-N 0 3 327.431 4.417 20 30 EIEDHN C[C@H](NCc1cc(Cl)cc(C#N)c1)c1cccc(-n2cccn2)c1 ZINC001192823146 1051813878 /nfs/dbraw/zinc/81/38/78/1051813878.db2.gz FIVBRORUHXNPHV-AWEZNQCLSA-N 0 3 336.826 4.248 20 30 EIEDHN C=C(C)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001193574233 1051947668 /nfs/dbraw/zinc/94/76/68/1051947668.db2.gz FDXSPBVARVPWFX-GOSISDBHSA-N 0 3 348.349 4.159 20 30 EIEDHN CCCC#CC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC001184273048 1051976959 /nfs/dbraw/zinc/97/69/59/1051976959.db2.gz JZIGFODLJRGVJS-LJQANCHMSA-N 0 3 332.447 4.006 20 30 EIEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC#Cc2ccccc2Cl)C1 ZINC001193957478 1052030553 /nfs/dbraw/zinc/03/05/53/1052030553.db2.gz YMCXCOQNKFWMJW-LMQGHGSNSA-N 0 3 345.914 4.343 20 30 EIEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(Br)c(F)c1 ZINC000131101734 1052175143 /nfs/dbraw/zinc/17/51/43/1052175143.db2.gz ZDUIWYGETHVVPJ-LLVKDONJSA-N 0 3 333.204 4.311 20 30 EIEDHN C=CCN(Cc1ccc(OC)cc1OCc1cccnc1)C(C)C ZINC000774837043 1052186782 /nfs/dbraw/zinc/18/67/82/1052186782.db2.gz ABNSWFVEJUBDGW-UHFFFAOYSA-N 0 3 326.440 4.066 20 30 EIEDHN C=CCN1CCC(NC(=O)N(CCCC)[C@H](C)c2ccccc2)CC1 ZINC000171739217 1052446300 /nfs/dbraw/zinc/44/63/00/1052446300.db2.gz ICCFMXSQKZVAEH-GOSISDBHSA-N 0 3 343.515 4.210 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc3c(cccc3C)[nH]2)c1 ZINC000850137192 1053078292 /nfs/dbraw/zinc/07/82/92/1053078292.db2.gz LTTCICOOHVGRMO-SFHVURJKSA-N 0 3 333.435 4.447 20 30 EIEDHN COc1cccc(C2(NCc3ccc(O[C@@H](C)C#N)cc3)CCC2)c1 ZINC000850404592 1053174292 /nfs/dbraw/zinc/17/42/92/1053174292.db2.gz BFWCNINTESKPBS-INIZCTEOSA-N 0 3 336.435 4.155 20 30 EIEDHN N#CC(C(=O)CCCc1ccc(F)c(F)c1)c1nc2ccccc2[nH]1 ZINC000119838337 1053199137 /nfs/dbraw/zinc/19/91/37/1053199137.db2.gz KALQMMQFVBCLCS-CYBMUJFWSA-N 0 3 339.345 4.040 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3c(F)cccc3F)nc21 ZINC000764650835 1053257685 /nfs/dbraw/zinc/25/76/85/1053257685.db2.gz WXLXDKCBCSUVOY-VXGBXAGGSA-N 0 3 339.345 4.130 20 30 EIEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H](C)c3c(F)cccc3F)[nH]c21 ZINC000764650835 1053257704 /nfs/dbraw/zinc/25/77/04/1053257704.db2.gz WXLXDKCBCSUVOY-VXGBXAGGSA-N 0 3 339.345 4.130 20 30 EIEDHN CC[C@@H]1CN(c2ccccc2)CCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000764679843 1053267141 /nfs/dbraw/zinc/26/71/41/1053267141.db2.gz XCTGGTVQLLKRET-UYAOXDASSA-N 0 3 349.478 4.078 20 30 EIEDHN N#CCC[C@@H](NC[C@@H](O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000775654973 1053392148 /nfs/dbraw/zinc/39/21/48/1053392148.db2.gz KLNFFAVDZRCUAT-QZTJIDSGSA-N 0 3 332.806 4.147 20 30 EIEDHN C[C@]1(Cc2ccccc2F)CCCN1Cc1ccc(F)c(C#N)c1 ZINC001195463157 1053407406 /nfs/dbraw/zinc/40/74/06/1053407406.db2.gz HYJSXJNRJQKTKN-HXUWFJFHSA-N 0 3 326.390 4.434 20 30 EIEDHN N#Cc1ccc(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000765014068 1053412645 /nfs/dbraw/zinc/41/26/45/1053412645.db2.gz JTPBPIPIDLJXED-KRWDZBQOSA-N 0 3 332.325 4.234 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCc3c2cc(Br)cc3F)cc1 ZINC000765011663 1053418462 /nfs/dbraw/zinc/41/84/62/1053418462.db2.gz NMBBGYQINDUTBA-QGZVFWFLSA-N 0 3 345.215 4.237 20 30 EIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc2sc(C)c(C)c2c(N)n1 ZINC001196056211 1053564511 /nfs/dbraw/zinc/56/45/11/1053564511.db2.gz KUDGSCPPGUUJRO-KGLIPLIRSA-N 0 3 330.501 4.115 20 30 EIEDHN N#Cc1ccccc1NC1CCN(CCc2ccccc2Cl)CC1 ZINC001196535377 1053697406 /nfs/dbraw/zinc/69/74/06/1053697406.db2.gz LJCAJAXPYQPCIU-UHFFFAOYSA-N 0 3 339.870 4.331 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(N2CCC(C)CC2)nc1 ZINC000921539902 1053744605 /nfs/dbraw/zinc/74/46/05/1053744605.db2.gz FODYGAUQZNBIRS-UHFFFAOYSA-N 0 3 348.494 4.096 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776747080 1053825937 /nfs/dbraw/zinc/82/59/37/1053825937.db2.gz XJGAAYOMFPGXFH-KDOFPFPSSA-N 0 3 337.398 4.229 20 30 EIEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000121672387 1053834085 /nfs/dbraw/zinc/83/40/85/1053834085.db2.gz NDEHXLREUBSAPA-QFBILLFUSA-N 0 3 340.467 4.037 20 30 EIEDHN Cc1cccc(Oc2cccc(NC(=O)[C@@H](N)CCCCC#N)c2)c1 ZINC000868037689 1053869703 /nfs/dbraw/zinc/86/97/03/1053869703.db2.gz VWSHLGDVMQMIEC-IBGZPJMESA-N 0 3 337.423 4.137 20 30 EIEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000113322346 1053923134 /nfs/dbraw/zinc/92/31/34/1053923134.db2.gz GIRBFXCVECRKBJ-AWEZNQCLSA-N 0 3 331.362 4.151 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000113952598 1054026774 /nfs/dbraw/zinc/02/67/74/1054026774.db2.gz GBKMPUOECARZIJ-CZUORRHYSA-N 0 3 330.378 4.497 20 30 EIEDHN C#CCCOc1ccc(CNCc2cccc(O[C@H](C#N)CC)c2)cc1 ZINC000113961401 1054033946 /nfs/dbraw/zinc/03/39/46/1054033946.db2.gz WYPUICUTZWGDOS-FQEVSTJZSA-N 0 3 348.446 4.059 20 30 EIEDHN C=CCOc1cccc(CNCc2cccc(O[C@@H](C#N)CC)c2)c1 ZINC000113961724 1054034232 /nfs/dbraw/zinc/03/42/32/1054034232.db2.gz KYMZCJQIZFVSKA-LJQANCHMSA-N 0 3 336.435 4.222 20 30 EIEDHN C#CCN(Cc1cc2ccccc2[nH]c1=O)[C@H]1CCCc2ccccc21 ZINC001198103626 1054078757 /nfs/dbraw/zinc/07/87/57/1054078757.db2.gz IXEUEBHYVIAIRX-QFIPXVFZSA-N 0 3 342.442 4.453 20 30 EIEDHN N#CC(C(=O)Nc1cccc(Cl)c1)c1nc2ccccc2s1 ZINC000338625173 1054259531 /nfs/dbraw/zinc/25/95/31/1054259531.db2.gz HUFLORLONCTXIT-GFCCVEGCSA-N 0 3 327.796 4.196 20 30 EIEDHN COc1cc2c(cc1OC)[C@H](NCc1ccc(C#N)s1)CCCC2 ZINC000872080124 1054380317 /nfs/dbraw/zinc/38/03/17/1054380317.db2.gz NWVMLFVYOIBLFY-QGZVFWFLSA-N 0 3 342.464 4.194 20 30 EIEDHN CC(C)(C)OC(=O)Nc1cc(F)cc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000872125333 1054403458 /nfs/dbraw/zinc/40/34/58/1054403458.db2.gz ZALAGEJASFNWTQ-XJKSGUPXSA-N 0 3 347.434 4.345 20 30 EIEDHN C=CCC[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776002511 1054437440 /nfs/dbraw/zinc/43/74/40/1054437440.db2.gz FBVCXQIODQHWRY-PXNSSMCTSA-N 0 3 325.452 4.283 20 30 EIEDHN C=CCC[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776002511 1054437449 /nfs/dbraw/zinc/43/74/49/1054437449.db2.gz FBVCXQIODQHWRY-PXNSSMCTSA-N 0 3 325.452 4.283 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776012674 1054444444 /nfs/dbraw/zinc/44/44/44/1054444444.db2.gz INULANRJXJZZKO-XJKCOSOUSA-N 0 3 326.362 4.140 20 30 EIEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc(C#N)cc1 ZINC000552881376 1054485237 /nfs/dbraw/zinc/48/52/37/1054485237.db2.gz VAFXEWRBLKCDSP-KBPBESRZSA-N 0 3 333.435 4.200 20 30 EIEDHN CC1(C#N)CCC(NCc2cc(-c3ccc(F)cc3F)on2)CC1 ZINC000873176495 1054501478 /nfs/dbraw/zinc/50/14/78/1054501478.db2.gz PSLXLTDDCNSYRB-UHFFFAOYSA-N 0 3 331.366 4.182 20 30 EIEDHN CCCN(CC)c1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000124546223 1054542543 /nfs/dbraw/zinc/54/25/43/1054542543.db2.gz JLKPZWHPRAPHHQ-INIZCTEOSA-N 0 3 327.453 4.178 20 30 EIEDHN C=CCOCc1nn(C)c2c1CN(CCCCCCCCC)CC2 ZINC001201839627 1054932346 /nfs/dbraw/zinc/93/23/46/1054932346.db2.gz ONBHTRMTAFLESJ-UHFFFAOYSA-N 0 3 333.520 4.231 20 30 EIEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000876637172 1054942754 /nfs/dbraw/zinc/94/27/54/1054942754.db2.gz IRQOTJLNNNXXKG-ZDUSSCGKSA-N 0 3 326.893 4.294 20 30 EIEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000876678368 1054944733 /nfs/dbraw/zinc/94/47/33/1054944733.db2.gz LJUQDISBCSNGNU-AWEZNQCLSA-N 0 3 326.893 4.045 20 30 EIEDHN C#C[C@H](N[C@@H](C)CC[P@@](C)(=O)OCC)c1ccc(Cl)cc1 ZINC000877542405 1055077593 /nfs/dbraw/zinc/07/75/93/1055077593.db2.gz YGVVIBZCKRQICS-PCMMCCAGSA-N 0 3 327.792 4.327 20 30 EIEDHN C=C(C)COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1OC ZINC000877756239 1055115026 /nfs/dbraw/zinc/11/50/26/1055115026.db2.gz AAIFKRYSISCFLL-OAHLLOKOSA-N 0 3 327.424 4.207 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(C)C[C@@H](C)c1ccccc1)c1ccccc1 ZINC000878044468 1055179168 /nfs/dbraw/zinc/17/91/68/1055179168.db2.gz PFISORDNKOJTSL-XMSQKQJNSA-N 0 3 334.463 4.163 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(C)[C@@H](C)Cc1ccc(C)cc1)c1ccccc1 ZINC000878120784 1055192117 /nfs/dbraw/zinc/19/21/17/1055192117.db2.gz PGLSVHYKFCWZOH-CVDCTZTESA-N 0 3 348.490 4.299 20 30 EIEDHN Cc1nc(C)c([C@H](C)N(C)CCCOc2ccc(C#N)cc2)s1 ZINC000106874928 1055196608 /nfs/dbraw/zinc/19/66/08/1055196608.db2.gz XGMXYSYCZMTBGH-AWEZNQCLSA-N 0 3 329.469 4.094 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2oc3ccc(Cl)cc3c2C)CC1 ZINC000106038586 1055623673 /nfs/dbraw/zinc/62/36/73/1055623673.db2.gz PBALKPAXXJZANR-UHFFFAOYSA-N 0 3 346.858 4.165 20 30 EIEDHN CC(=O)c1ccc(C#N)c(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000302134389 1056021031 /nfs/dbraw/zinc/02/10/31/1056021031.db2.gz ZJTYQQKSSAOKAZ-KKSFZXQISA-N 0 3 347.462 4.226 20 30 EIEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1Br ZINC000091469183 1056153855 /nfs/dbraw/zinc/15/38/55/1056153855.db2.gz WDIBWVUGWLUUDM-ZDUSSCGKSA-N 0 3 329.241 4.480 20 30 EIEDHN COc1ccc([C@H]2C[C@H](N(CCC#N)C3CCCC3)CCO2)cc1 ZINC001168653662 1056160350 /nfs/dbraw/zinc/16/03/50/1056160350.db2.gz NJGWTVGXRCHRQG-UYAOXDASSA-N 0 3 328.456 4.074 20 30 EIEDHN Cc1cc(CN2CCC(CC#N)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000542879620 1056398936 /nfs/dbraw/zinc/39/89/36/1056398936.db2.gz OYPVKQRZFBZAGV-UHFFFAOYSA-N 0 3 340.858 4.231 20 30 EIEDHN CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934724 1056796460 /nfs/dbraw/zinc/79/64/60/1056796460.db2.gz SLWSBAWIHXJGGM-IAGOWNOFSA-N 0 3 349.478 4.131 20 30 EIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743262267 1058909526 /nfs/dbraw/zinc/90/95/26/1058909526.db2.gz SNNBBRZMURKWIV-LJQANCHMSA-N 0 3 331.843 4.070 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C)(C)c1ccccc1 ZINC000743441048 1059008303 /nfs/dbraw/zinc/00/83/03/1059008303.db2.gz DQYNUPRGVJAYLH-MRXNPFEDSA-N 0 3 331.419 4.117 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2ccco2)cc1 ZINC000744030086 1059216324 /nfs/dbraw/zinc/21/63/24/1059216324.db2.gz ZHSRDYXTGXOVIK-WMLDXEAASA-N 0 3 338.407 4.073 20 30 EIEDHN N#CC(C(=O)CCC(=O)c1ccccc1)c1ccc2ccccc2n1 ZINC000744016715 1059221799 /nfs/dbraw/zinc/22/17/99/1059221799.db2.gz SFGSBDAQZMABLJ-KRWDZBQOSA-N 0 3 328.371 4.074 20 30 EIEDHN N#Cc1cccc(OCCN2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC001169901271 1061024115 /nfs/dbraw/zinc/02/41/15/1061024115.db2.gz RHLTVKKRXJBPQU-UHFFFAOYSA-N 0 3 338.838 4.380 20 30 EIEDHN Cc1cc(C)c(NC(=O)CCCN(CCC#N)CC(C)C)c(C)c1 ZINC000766897977 1061058039 /nfs/dbraw/zinc/05/80/39/1061058039.db2.gz UVXIZTPPKQSTHN-UHFFFAOYSA-N 0 3 329.488 4.202 20 30 EIEDHN CCc1ccc([C@H](NCC(=O)Nc2sccc2C#N)C(C)C)cc1 ZINC000067445821 215147243 /nfs/dbraw/zinc/14/72/43/215147243.db2.gz OXBOMJTZFNDZQR-GOSISDBHSA-N 0 3 341.480 4.108 20 30 EIEDHN CCN1CCCC[C@@H]1c1ccc(N(CCC#N)C2CCCC2)nc1 ZINC001165017268 721835995 /nfs/dbraw/zinc/83/59/95/721835995.db2.gz JRNKVZBEPIHXTL-LJQANCHMSA-N 0 3 326.488 4.291 20 30 EIEDHN CN(CCC#N)c1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000195252376 1032215689 /nfs/dbraw/zinc/21/56/89/1032215689.db2.gz QORGCQRFTBIJKO-VXKWHMMOSA-N 0 3 349.478 4.046 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CNC(C)(C)c2ccccc2)c1 ZINC000508639265 1032574205 /nfs/dbraw/zinc/57/42/05/1032574205.db2.gz MTVBPJWQNLZJHE-UHFFFAOYSA-N 0 3 349.478 4.075 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)c2ccccc2)c1 ZINC000160158335 1018737913 /nfs/dbraw/zinc/73/79/13/1018737913.db2.gz WWXMALDVEUMZMH-VQIMIIECSA-N 0 3 334.419 4.226 20 30 EIEDHN C=CCOCc1nn(C)c2c1CN(CCCCCC/C=C\CC)CC2 ZINC001209286460 1020187350 /nfs/dbraw/zinc/18/73/50/1020187350.db2.gz HEIQYYSLKRGAAT-SREVYHEPSA-N 0 3 345.531 4.398 20 30 EIEDHN C=CCN(CCSc1cccc(OC)c1)Cc1ccc(OC)cc1 ZINC001167115759 1020215971 /nfs/dbraw/zinc/21/59/71/1020215971.db2.gz JEZMXCOTSJEJFD-UHFFFAOYSA-N 0 3 343.492 4.484 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccccc2CCC(F)(F)F)n1 ZINC000340199966 1020616016 /nfs/dbraw/zinc/61/60/16/1020616016.db2.gz CBEHEHAPFVFWKD-CYBMUJFWSA-N 0 3 338.354 4.437 20 30 EIEDHN C[C@@H](NCc1ccc(OCc2cccnc2)cc1)c1cccc(C#N)c1 ZINC000610345257 1021342428 /nfs/dbraw/zinc/34/24/28/1021342428.db2.gz YWBGDZYKAKCQDA-QGZVFWFLSA-N 0 3 343.430 4.383 20 30 EIEDHN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1OCCCC#N ZINC000610344898 1021342586 /nfs/dbraw/zinc/34/25/86/1021342586.db2.gz LAHQMIASZHIRFB-MRXNPFEDSA-N 0 3 349.434 4.100 20 30 EIEDHN C[C@H](NCc1cc(C#N)cs1)c1cccc(OCc2ccccn2)c1 ZINC000177687312 1021432017 /nfs/dbraw/zinc/43/20/17/1021432017.db2.gz SECZYNHWCHUACY-HNNXBMFYSA-N 0 3 349.459 4.445 20 30 EIEDHN CC(C)[C@@H](CC(F)(F)F)NCc1cc(Cl)ccc1OCC#N ZINC000782651769 1021440437 /nfs/dbraw/zinc/44/04/37/1021440437.db2.gz BNLCFDAXTAPOLG-CYBMUJFWSA-N 0 3 334.769 4.309 20 30 EIEDHN C[C@H](CNc1ccc(Cl)cc1C#N)N1CCc2ccccc2C1 ZINC000511394126 1021493634 /nfs/dbraw/zinc/49/36/34/1021493634.db2.gz AXFXVJDXVNFPIT-CQSZACIVSA-N 0 3 325.843 4.070 20 30 EIEDHN N#Cc1csc(CN[C@@H]2CCc3c2cccc3Br)c1 ZINC000177697217 1021541122 /nfs/dbraw/zinc/54/11/22/1021541122.db2.gz AQYZYIZAXADDSC-OAHLLOKOSA-N 0 3 333.254 4.159 20 30 EIEDHN N#Cc1ccc(CNCc2ccc(Br)c(Cl)c2)cc1 ZINC000236049709 1021619984 /nfs/dbraw/zinc/61/99/84/1021619984.db2.gz DAEVOHKDSMFFDC-UHFFFAOYSA-N 0 3 335.632 4.264 20 30 EIEDHN COc1cc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)ccc1C#N ZINC000580767217 1021814015 /nfs/dbraw/zinc/81/40/15/1021814015.db2.gz ZOPTWRCLOKKZJK-LJQANCHMSA-N 0 3 331.419 4.215 20 30 EIEDHN COC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000613254337 1021835377 /nfs/dbraw/zinc/83/53/77/1021835377.db2.gz GJWSPTNNDGHCJX-KCXAZCMYSA-N 0 3 326.362 4.065 20 30 EIEDHN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)c1nc2ccccc2n1C(F)F ZINC000892538176 1021857161 /nfs/dbraw/zinc/85/71/61/1021857161.db2.gz JEWQYQHZQXYWFA-RWMBFGLXSA-N 0 3 329.350 4.044 20 30 EIEDHN CN(C)[C@H](CNc1nc(C(C)(C)C)ccc1C#N)c1cccs1 ZINC000613409229 1021979110 /nfs/dbraw/zinc/97/91/10/1021979110.db2.gz PNPXMPCNDVSBSD-CQSZACIVSA-N 0 3 328.485 4.027 20 30 EIEDHN C=CCOCCN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000549343678 1022035905 /nfs/dbraw/zinc/03/59/05/1022035905.db2.gz GSNQETDGQVGKOG-UHFFFAOYSA-N 0 3 336.888 4.332 20 30 EIEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(Br)c2Cl)C1 ZINC000414207916 1022162275 /nfs/dbraw/zinc/16/22/75/1022162275.db2.gz HYDHKGAHYMTMMU-ZYHUDNBSSA-N 0 3 327.653 4.274 20 30 EIEDHN Cc1ccccc1[C@H](CC(C)C)NCC(=O)NC1(C#N)CCCCC1 ZINC000538162025 1022389111 /nfs/dbraw/zinc/38/91/11/1022389111.db2.gz XMGPZHPDEIFSBK-IBGZPJMESA-N 0 3 341.499 4.015 20 30 EIEDHN C[C@@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(OCC#N)cc1 ZINC000181622715 1022685002 /nfs/dbraw/zinc/68/50/02/1022685002.db2.gz NUZMHHPOUIIEGT-TYCQWZJGSA-N 0 3 336.435 4.160 20 30 EIEDHN COc1ccc(CNCc2sccc2C)cc1OCCCC#N ZINC000064614377 1022822998 /nfs/dbraw/zinc/82/29/98/1022822998.db2.gz MPHRWCUGGDKHLQ-UHFFFAOYSA-N 0 3 330.453 4.038 20 30 EIEDHN N#CC(C(=O)c1cncc2ccccc21)c1ccc(C(F)(F)F)cn1 ZINC000340890344 1022889074 /nfs/dbraw/zinc/88/90/74/1022889074.db2.gz ZBLPGGPSFHDBTI-CQSZACIVSA-N 0 3 341.292 4.139 20 30 EIEDHN COC(=O)c1csc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417361158 1023286884 /nfs/dbraw/zinc/28/68/84/1023286884.db2.gz IPJLQOQETUFAHV-YVEFUNNKSA-N 0 3 340.448 4.135 20 30 EIEDHN CC[C@H](NCc1ccc(-n2ccnc2C)c(F)c1)c1ccc(C#N)cc1 ZINC000377080646 1023364646 /nfs/dbraw/zinc/36/46/46/1023364646.db2.gz UXPWBSCXSZVQKL-FQEVSTJZSA-N 0 3 348.425 4.432 20 30 EIEDHN CC[C@H](NCC(=O)N(CCC#N)c1cccc(C)c1C)c1ccccc1 ZINC000341228730 1023405356 /nfs/dbraw/zinc/40/53/56/1023405356.db2.gz MWJGOLNORFYYKT-FQEVSTJZSA-N 0 3 349.478 4.291 20 30 EIEDHN CCc1nc(C)c([C@H](C)N(C)CCCOc2cccc(C#N)c2)s1 ZINC000477307352 1023574999 /nfs/dbraw/zinc/57/49/99/1023574999.db2.gz WVDAZZDJFZWHBZ-HNNXBMFYSA-N 0 3 343.496 4.348 20 30 EIEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc1C ZINC000155657145 1023669645 /nfs/dbraw/zinc/66/96/45/1023669645.db2.gz UEHGEUZTVHTGDU-SNVBAGLBSA-N 0 3 340.235 4.313 20 30 EIEDHN CC(C)OCc1ccccc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000728711961 1023759853 /nfs/dbraw/zinc/75/98/53/1023759853.db2.gz PYGOBQRYTFMSOP-KRWDZBQOSA-N 0 3 338.451 4.192 20 30 EIEDHN N#Cc1cccc(COc2cccc(CNCc3ccc(O)cc3)c2)c1 ZINC000101600200 1023880793 /nfs/dbraw/zinc/88/07/93/1023880793.db2.gz OFROMWYIGCNTJK-UHFFFAOYSA-N 0 3 344.414 4.133 20 30 EIEDHN N#CCC1(CN[C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000430739302 1023998563 /nfs/dbraw/zinc/99/85/63/1023998563.db2.gz HQWLXEFRSDZTQB-OAHLLOKOSA-N 0 3 337.236 4.323 20 30 EIEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000661118145 1024245022 /nfs/dbraw/zinc/24/50/22/1024245022.db2.gz WZJGDHGQVCUVQB-JSGCOSHPSA-N 0 3 343.496 4.110 20 30 EIEDHN N#Cc1ccccc1COc1cccc(CNCc2ccccc2)c1 ZINC000066905102 1024387712 /nfs/dbraw/zinc/38/77/12/1024387712.db2.gz OVLLMQAKDUQGRW-UHFFFAOYSA-N 0 3 328.415 4.427 20 30 EIEDHN C=CCN(CCCc1nc(-c2cccs2)no1)Cc1cccs1 ZINC000510798848 1024492604 /nfs/dbraw/zinc/49/26/04/1024492604.db2.gz UEKOGMFTBLPYIT-UHFFFAOYSA-N 0 3 345.493 4.480 20 30 EIEDHN C=CCC1(NCc2nnc(-c3ccc(Cl)cc3)n2C)CCCC1 ZINC000661852228 1024602829 /nfs/dbraw/zinc/60/28/29/1024602829.db2.gz OOYRVYBWMCQZSE-UHFFFAOYSA-N 0 3 330.863 4.114 20 30 EIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000662079704 1024849316 /nfs/dbraw/zinc/84/93/16/1024849316.db2.gz LOTBVYGRJKVCOT-BMFZPTHFSA-N 0 3 327.403 4.428 20 30 EIEDHN C=CCC[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000341922903 1024993765 /nfs/dbraw/zinc/99/37/65/1024993765.db2.gz BAYXEFUYKXLQHP-OAQYLSRUSA-N 0 3 347.462 4.230 20 30 EIEDHN C=CCC[C@H](NCC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000341930380 1024998602 /nfs/dbraw/zinc/99/86/02/1024998602.db2.gz LRDPYLUETXVRJN-JXFKEZNVSA-N 0 3 326.484 4.073 20 30 EIEDHN COCC1(C#N)CCN([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000341980047 1025018773 /nfs/dbraw/zinc/01/87/73/1025018773.db2.gz CCFCTWOXCPGKFC-ZDUSSCGKSA-N 0 3 326.362 4.019 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1cccc(C#N)c1 ZINC000610829643 1025051578 /nfs/dbraw/zinc/05/15/78/1025051578.db2.gz CGOHYWQGKUHGFP-KGLIPLIRSA-N 0 3 333.435 4.200 20 30 EIEDHN C[C@H]1CCN(CCC(=O)Nc2sccc2C#N)[C@@H](c2ccco2)C1 ZINC000247710010 1025157566 /nfs/dbraw/zinc/15/75/66/1025157566.db2.gz ZYIPPDSSVYBYGI-DZGCQCFKSA-N 0 3 343.452 4.015 20 30 EIEDHN N#CC(C(=O)C=Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000051655316 1026584868 /nfs/dbraw/zinc/58/48/68/1026584868.db2.gz HHBZEWWGVNFBOG-VNDWYCCKSA-N 0 3 337.329 4.321 20 30 EIEDHN Clc1ccc(C#CCN2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000427024277 1026686871 /nfs/dbraw/zinc/68/68/71/1026686871.db2.gz SEJCXJIVSXTGJT-UHFFFAOYSA-N 0 3 349.865 4.447 20 30 EIEDHN CCN(CC)[C@@H](CNc1ncc(C#N)cc1Cl)c1ccsc1 ZINC000339136812 1026705013 /nfs/dbraw/zinc/70/50/13/1026705013.db2.gz NGBJDTFXQNBNGF-HNNXBMFYSA-N 0 3 334.876 4.163 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]2CC(C)C)c1 ZINC000500461292 1026771665 /nfs/dbraw/zinc/77/16/65/1026771665.db2.gz WPAUBDLOSOPGBE-IBGZPJMESA-N 0 3 341.499 4.061 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(SCC)cc1 ZINC000507508449 1026821344 /nfs/dbraw/zinc/82/13/44/1026821344.db2.gz IVRGHEQGMIGDCK-JKSUJKDBSA-N 0 3 334.529 4.262 20 30 EIEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)[C@H](CC)c1ccccc1 ZINC000519906025 1027039562 /nfs/dbraw/zinc/03/95/62/1027039562.db2.gz BUHXSFMCBSQCTI-OAQYLSRUSA-N 0 3 349.478 4.038 20 30 EIEDHN C=CCC[C@@H](N[C@H](C)CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000342797972 1027039938 /nfs/dbraw/zinc/03/99/38/1027039938.db2.gz SWEOLZPYJKGIFY-YLJYHZDGSA-N 0 3 343.492 4.146 20 30 EIEDHN C=CCC1(NCc2csc(-c3ccc(F)cc3)n2)CCOCC1 ZINC000657633641 1027349690 /nfs/dbraw/zinc/34/96/90/1027349690.db2.gz UAFRVKSADPCSKH-UHFFFAOYSA-N 0 3 332.444 4.164 20 30 EIEDHN COCCCC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000441387765 1027511277 /nfs/dbraw/zinc/51/12/77/1027511277.db2.gz RHANSHYNRHFZPF-HXUWFJFHSA-N 0 3 338.451 4.214 20 30 EIEDHN CC(C)(NCC#Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC001168045093 1027889741 /nfs/dbraw/zinc/88/97/41/1027889741.db2.gz WDAUYGLWIJHIAF-UHFFFAOYSA-N 0 3 346.243 4.465 20 30 EIEDHN C=CC[C@@H]1N(C(=O)c2cccc(CN3CCCC3)c2)CCCC1(C)C ZINC000444632604 1027912298 /nfs/dbraw/zinc/91/22/98/1027912298.db2.gz GORXRDVJCCFYRQ-FQEVSTJZSA-N 0 3 340.511 4.489 20 30 EIEDHN C=CC[C@H]1N(Cc2nnc(-c3cccc(C#N)c3)o2)CCCC1(C)C ZINC000444784713 1028073199 /nfs/dbraw/zinc/07/31/99/1028073199.db2.gz WJJLEXMEMHTGOD-QGZVFWFLSA-N 0 3 336.439 4.175 20 30 EIEDHN C=CCOc1ccc(CNCc2cccc(CSC)c2)cc1OC ZINC000189489725 1028150011 /nfs/dbraw/zinc/15/00/11/1028150011.db2.gz IJYMMGCVEUBXIV-UHFFFAOYSA-N 0 3 343.492 4.413 20 30 EIEDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCCC2(CCCCC2)CC1 ZINC000329961722 1028170470 /nfs/dbraw/zinc/17/04/70/1028170470.db2.gz RTHCDZGRQAMZNE-KRWDZBQOSA-N 0 3 346.519 4.450 20 30 EIEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000523564941 1028236985 /nfs/dbraw/zinc/23/69/85/1028236985.db2.gz DTCVTDHSTAPCSE-HXUWFJFHSA-N 0 3 343.515 4.039 20 30 EIEDHN Cn1ccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1C1CCC1 ZINC000346596124 1028523712 /nfs/dbraw/zinc/52/37/12/1028523712.db2.gz WNNQOGKKRFLJTE-CQSZACIVSA-N 0 3 347.340 4.196 20 30 EIEDHN C=C(CNCc1c(C(C)C)nc2sc(C)nn12)c1ccccc1 ZINC000346695672 1028603817 /nfs/dbraw/zinc/60/38/17/1028603817.db2.gz FLPAJQMGJSPSGA-UHFFFAOYSA-N 0 3 326.469 4.026 20 30 EIEDHN COc1cc(NC(=O)[C@H]2CCCCN2C2CCCC2)cc(OC)c1 ZINC000330345004 1028605890 /nfs/dbraw/zinc/60/58/90/1028605890.db2.gz DPOZQWSGFGZEGX-GOSISDBHSA-N 0 3 332.444 4.089 20 30 EIEDHN C[C@@H]1SCCN(CCOc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000522837409 1028988389 /nfs/dbraw/zinc/98/83/89/1028988389.db2.gz YQJPLBBJSGMYIR-JXFKEZNVSA-N 0 3 338.476 4.116 20 30 EIEDHN Cc1cc(N2CCCCCC2)ccc1NC([O-])=[NH+][C@@H]1CCC[C@H]1C#N ZINC000329426804 1029159894 /nfs/dbraw/zinc/15/98/94/1029159894.db2.gz JAYHUEJWXNMFPE-QFBILLFUSA-N 0 3 340.471 4.394 20 30 EIEDHN C[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCCC[C@@H]12 ZINC000524758842 1029208006 /nfs/dbraw/zinc/20/80/06/1029208006.db2.gz GYMTZRTWTYBBGX-FHLIZLRMSA-N 0 3 336.439 4.009 20 30 EIEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCCCC12CCCC2 ZINC000329625121 1029536410 /nfs/dbraw/zinc/53/64/10/1029536410.db2.gz OLPAMWOTQVVILM-ROUUACIJSA-N 0 3 344.503 4.073 20 30 EIEDHN CC[C@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(C#N)cc1 ZINC000447591568 1030195736 /nfs/dbraw/zinc/19/57/36/1030195736.db2.gz INJDLVJFYVOOHP-FQEVSTJZSA-N 0 3 330.435 4.200 20 30 EIEDHN Cc1c([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000185799203 1030227650 /nfs/dbraw/zinc/22/76/50/1030227650.db2.gz LPNQVYMJJYUTNQ-KMFMINBZSA-N 0 3 326.419 4.053 20 30 EIEDHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000451118888 1030245458 /nfs/dbraw/zinc/24/54/58/1030245458.db2.gz ZDXYOXFCHLGHHH-KRWDZBQOSA-N 0 3 347.462 4.161 20 30 EIEDHN N#Cc1ccccc1CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000022790296 1030356423 /nfs/dbraw/zinc/35/64/23/1030356423.db2.gz VGVRQJNYCRJAEB-UHFFFAOYSA-N 0 3 341.458 4.029 20 30 EIEDHN N#Cc1cccc(CN[C@@H](CN2CCCCC2)c2ccccc2)c1F ZINC000611938529 1030413974 /nfs/dbraw/zinc/41/39/74/1030413974.db2.gz MDPPAPAMAHPGSF-FQEVSTJZSA-N 0 3 337.442 4.014 20 30 EIEDHN C=CCOc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1OC ZINC000191663188 1030635028 /nfs/dbraw/zinc/63/50/28/1030635028.db2.gz DHOSZZZWDBXAJH-GOSISDBHSA-N 0 3 339.435 4.133 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C)(C)CC(F)(F)F ZINC000892420031 1030738169 /nfs/dbraw/zinc/73/81/69/1030738169.db2.gz KXMICVSDUSCBGO-LLVKDONJSA-N 0 3 337.345 4.118 20 30 EIEDHN CN(Cc1ccc(CC#N)cc1)Cc1cccc(Br)c1 ZINC000399115875 1030748171 /nfs/dbraw/zinc/74/81/71/1030748171.db2.gz GBPQGROVZRYUNY-UHFFFAOYSA-N 0 3 329.241 4.147 20 30 EIEDHN N#CC(C(=O)CC[C@H]1CCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000892420854 1030749201 /nfs/dbraw/zinc/74/92/01/1030749201.db2.gz YYJWYQXDHYXFBZ-NVXWUHKLSA-N 0 3 329.403 4.249 20 30 EIEDHN N#CC1(CCCN2CCC[C@H]2c2ccc(F)cc2F)CCOCC1 ZINC000451977022 1030815899 /nfs/dbraw/zinc/81/58/99/1030815899.db2.gz ZOKMMQKCXZKRQP-SFHVURJKSA-N 0 3 334.410 4.202 20 30 EIEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647372463 1030878925 /nfs/dbraw/zinc/87/89/25/1030878925.db2.gz NAUVMPHHXMIDIW-HNNXBMFYSA-N 0 3 326.421 4.298 20 30 EIEDHN CCN(Cc1ccccc1OCCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000179464022 1031080077 /nfs/dbraw/zinc/08/00/77/1031080077.db2.gz UXDHFMDAZZKQFO-QGZVFWFLSA-N 0 3 338.451 4.167 20 30 EIEDHN CCN1CCN(c2ccc(NC3CCC(C)(C#N)CC3)c(C)c2)CC1 ZINC000449039950 1031380235 /nfs/dbraw/zinc/38/02/35/1031380235.db2.gz FQKVHSUICLBCQV-UHFFFAOYSA-N 0 3 340.515 4.021 20 30 EIEDHN Cc1cc(CN2CCSCC2)ccc1NC1CCC(C)(C#N)CC1 ZINC000449054473 1031404884 /nfs/dbraw/zinc/40/48/84/1031404884.db2.gz POHBKCFIBKWCAO-UHFFFAOYSA-N 0 3 343.540 4.428 20 30 EIEDHN CC(C)(C#N)CCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000120000037 1031420712 /nfs/dbraw/zinc/42/07/12/1031420712.db2.gz GJTFFYIZNINYEI-LLVKDONJSA-N 0 3 331.407 4.281 20 30 EIEDHN CCCCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000041520210 1031499354 /nfs/dbraw/zinc/49/93/54/1031499354.db2.gz NURRUIWSKPSQCV-CQSZACIVSA-N 0 3 344.436 4.129 20 30 EIEDHN C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000413812614 1031648268 /nfs/dbraw/zinc/64/82/68/1031648268.db2.gz CFNCGWBYQWXQBW-LJQANCHMSA-N 0 3 337.467 4.057 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cc(C)c(Br)cc2C)n1 ZINC000130903391 1031852491 /nfs/dbraw/zinc/85/24/91/1031852491.db2.gz XVYBWYUGLAKOJB-LBPRGKRZSA-N 0 3 349.253 4.321 20 30 EIEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000449790086 1032016368 /nfs/dbraw/zinc/01/63/68/1032016368.db2.gz JOWNDIDSHWXBDV-UKRRQHHQSA-N 0 3 331.872 4.484 20 30 EIEDHN Cc1cc(CN[C@H](C)c2ccc(-n3cccn3)c(F)c2)ccc1C#N ZINC000549840436 1033295912 /nfs/dbraw/zinc/29/59/12/1033295912.db2.gz YLLOOSGTYJZXGR-OAHLLOKOSA-N 0 3 334.398 4.042 20 30 EIEDHN C=C(C)CN(CCCc1ccccc1OC)Cc1cnn(C(C)C)c1 ZINC000512557524 1033339982 /nfs/dbraw/zinc/33/99/82/1033339982.db2.gz SUWMCFPTRSVGON-UHFFFAOYSA-N 0 3 341.499 4.484 20 30 EIEDHN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000429843927 1033398505 /nfs/dbraw/zinc/39/85/05/1033398505.db2.gz WWXGUFMXRNUCNR-UHFFFAOYSA-N 0 3 349.459 4.395 20 30 EIEDHN C[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(OCC#N)cc1 ZINC000245900464 1033440548 /nfs/dbraw/zinc/44/05/48/1033440548.db2.gz NUZMHHPOUIIEGT-ZLGUVYLKSA-N 0 3 336.435 4.160 20 30 EIEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1OCCc2ccccc21 ZINC000614166725 1033549833 /nfs/dbraw/zinc/54/98/33/1033549833.db2.gz NDGTWKKLNNMCCZ-OAQYLSRUSA-N 0 3 334.463 4.234 20 30 EIEDHN C[C@H](N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000512636230 1033578652 /nfs/dbraw/zinc/57/86/52/1033578652.db2.gz KOEWESLLMQOORP-HOCLYGCPSA-N 0 3 341.405 4.156 20 30 EIEDHN C[C@@H](NCCc1csc(C(C)(C)C)n1)c1ccc(C#N)cc1F ZINC000512647168 1033598252 /nfs/dbraw/zinc/59/82/52/1033598252.db2.gz GSGDSYAHKNXYEF-GFCCVEGCSA-N 0 3 331.460 4.345 20 30 EIEDHN CC(C)[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)Nc1ccccc1 ZINC000512655281 1033627075 /nfs/dbraw/zinc/62/70/75/1033627075.db2.gz SSOMUWQJYUYFHR-FOIQADDNSA-N 0 3 325.431 4.485 20 30 EIEDHN Cc1ccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000433014645 1033658529 /nfs/dbraw/zinc/65/85/29/1033658529.db2.gz GFFJZJJHXRLRPM-FQEVSTJZSA-N 0 3 335.451 4.267 20 30 EIEDHN Cc1ccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)cc1C ZINC000433018948 1033668023 /nfs/dbraw/zinc/66/80/23/1033668023.db2.gz GZVLJZBARSHEHR-HXUWFJFHSA-N 0 3 335.451 4.267 20 30 EIEDHN C[C@H](N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512668897 1033669717 /nfs/dbraw/zinc/66/97/17/1033669717.db2.gz XDGAAZOFUGMETR-KKSFZXQISA-N 0 3 337.442 4.185 20 30 EIEDHN CCN(C(=O)CN[C@@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000433028645 1033696475 /nfs/dbraw/zinc/69/64/75/1033696475.db2.gz CPLKEVRNRVSXQS-FQEVSTJZSA-N 0 3 341.499 4.192 20 30 EIEDHN C=CCOc1ccccc1CN1CC[C@H](n2ncc3ccccc32)C1 ZINC000513412843 1034931918 /nfs/dbraw/zinc/93/19/18/1034931918.db2.gz DAXTZWPPKNHLJP-IBGZPJMESA-N 0 3 333.435 4.048 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2CC(C)C)c1C ZINC000501098057 1035376586 /nfs/dbraw/zinc/37/65/86/1035376586.db2.gz CIRQFYOGZVITRR-IBGZPJMESA-N 0 3 341.499 4.061 20 30 EIEDHN N#Cc1cccc(C2(NCc3ccc(Cl)s3)CCOCC2)c1 ZINC000594982207 1035514045 /nfs/dbraw/zinc/51/40/45/1035514045.db2.gz ACTGCGALJFHERG-UHFFFAOYSA-N 0 3 332.856 4.069 20 30 EIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cnc2ccccc2n1 ZINC000595297765 1035627675 /nfs/dbraw/zinc/62/76/75/1035627675.db2.gz YDBQVMRMLPHAQJ-UHFFFAOYSA-N 0 3 330.435 4.160 20 30 EIEDHN N#Cc1cccc(CN[C@@H]2CCc3c2cc(Br)cc3F)c1 ZINC000151372428 1035740696 /nfs/dbraw/zinc/74/06/96/1035740696.db2.gz FYDSWNXDEHKXAD-QGZVFWFLSA-N 0 3 345.215 4.237 20 30 EIEDHN N#CC[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000595609182 1035749181 /nfs/dbraw/zinc/74/91/81/1035749181.db2.gz HQMJNMXPHVEPFJ-QGZVFWFLSA-N 0 3 333.435 4.065 20 30 EIEDHN N#CC[C@H]1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 ZINC000595610497 1035750840 /nfs/dbraw/zinc/75/08/40/1035750840.db2.gz ZTXAHPZBHIJNKG-LJQANCHMSA-N 0 3 334.463 4.418 20 30 EIEDHN CC(C)[C@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1F ZINC000595686262 1035759767 /nfs/dbraw/zinc/75/97/67/1035759767.db2.gz UXZAIXOYOHOOPE-FQEVSTJZSA-N 0 3 339.414 4.013 20 30 EIEDHN N#CCc1ccc(CN2CCC3(CCc4ccccc4O3)CC2)cc1 ZINC000595827658 1035801310 /nfs/dbraw/zinc/80/13/10/1035801310.db2.gz DZZAAXVJWJCIMF-UHFFFAOYSA-N 0 3 332.447 4.112 20 30 EIEDHN N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3CC3CCC3)o2)cc1 ZINC000595870720 1035804813 /nfs/dbraw/zinc/80/48/13/1035804813.db2.gz JXMWASUYHUMVAS-GOSISDBHSA-N 0 3 336.439 4.153 20 30 EIEDHN Cc1cccc(OCCC(=O)C(C#N)c2nc3ccccc3o2)c1C ZINC000054735802 1035833166 /nfs/dbraw/zinc/83/31/66/1035833166.db2.gz RJLMGUBULZMSJQ-OAHLLOKOSA-N 0 3 334.375 4.090 20 30 EIEDHN N#Cc1cccc(CNCc2cccc(COc3ccccc3)c2)c1 ZINC000055172231 1035897872 /nfs/dbraw/zinc/89/78/72/1035897872.db2.gz LAMSOTSXVOWINU-UHFFFAOYSA-N 0 3 328.415 4.427 20 30 EIEDHN N#CC1(c2ccc(CN3CC[C@H](Oc4cccc(F)c4)C3)cc2)CC1 ZINC000597079871 1036096875 /nfs/dbraw/zinc/09/68/75/1036096875.db2.gz IWOHDRBQHYBCCX-FQEVSTJZSA-N 0 3 336.410 4.034 20 30 EIEDHN Cc1cnc(C2CCN(Cc3ccc(C4(C#N)CC4)cc3)CC2)s1 ZINC000597116673 1036105521 /nfs/dbraw/zinc/10/55/21/1036105521.db2.gz HMGODZZEKKIPQW-UHFFFAOYSA-N 0 3 337.492 4.386 20 30 EIEDHN N#CC[C@@H]1CCCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000597173163 1036143109 /nfs/dbraw/zinc/14/31/09/1036143109.db2.gz GQDPZDJYJYUGNE-AWEZNQCLSA-N 0 3 348.372 4.017 20 30 EIEDHN COc1cc(CN2CCC3(C=Cc4ccccc4O3)CC2)ccc1C#N ZINC000597239995 1036167068 /nfs/dbraw/zinc/16/70/68/1036167068.db2.gz UGIXENQMJOWNSU-UHFFFAOYSA-N 0 3 346.430 4.007 20 30 EIEDHN CC1CCN([C@H](CNC(=O)CCCCCC#N)c2cccs2)CC1 ZINC000588147189 1036245239 /nfs/dbraw/zinc/24/52/39/1036245239.db2.gz BBYVMNMGAQMUTD-QGZVFWFLSA-N 0 3 347.528 4.111 20 30 EIEDHN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](C)CCC#N ZINC000602428979 1036444189 /nfs/dbraw/zinc/44/41/89/1036444189.db2.gz AUKOXUDFZCKHQF-GFCCVEGCSA-N 0 3 342.270 4.194 20 30 EIEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(OC(C)(C)C)c1 ZINC000602571725 1036498838 /nfs/dbraw/zinc/49/88/38/1036498838.db2.gz XAJGVTVTGKISGV-QGZVFWFLSA-N 0 3 344.499 4.361 20 30 EIEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000602572842 1036500423 /nfs/dbraw/zinc/50/04/23/1036500423.db2.gz TXKPFEJAWRNQTO-YOEHRIQHSA-N 0 3 346.446 4.116 20 30 EIEDHN Cn1c2ccccc2nc1[C@@H](NC1CCC(C#N)CC1)c1ccccc1 ZINC000602585670 1036514146 /nfs/dbraw/zinc/51/41/46/1036514146.db2.gz HXYMLVSATXAXBK-IAYYMHMVSA-N 0 3 344.462 4.335 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602895539 1036667173 /nfs/dbraw/zinc/66/71/73/1036667173.db2.gz QBABDEKKERBAHI-INIZCTEOSA-N 0 3 330.435 4.067 20 30 EIEDHN N#CCC1(CN2CCC(Cc3nc(C4CCCCC4)no3)CC2)CC1 ZINC000602916677 1036679336 /nfs/dbraw/zinc/67/93/36/1036679336.db2.gz PZJVUICYRDREIX-UHFFFAOYSA-N 0 3 342.487 4.066 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000598592003 1036709925 /nfs/dbraw/zinc/70/99/25/1036709925.db2.gz DOCFSPWYHSZMSV-NHCUHLMSSA-N 0 3 334.463 4.087 20 30 EIEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccncc1Cl ZINC000421827599 1036785167 /nfs/dbraw/zinc/78/51/67/1036785167.db2.gz YKMJXFHDEATCDC-CYBMUJFWSA-N 0 3 331.872 4.191 20 30 EIEDHN N#Cc1ccc(CN[C@@H](C[C@@H]2CCCO2)c2ccc(F)cc2)s1 ZINC000421874378 1036828281 /nfs/dbraw/zinc/82/82/81/1036828281.db2.gz IGONOSIKKORQOF-YJBOKZPZSA-N 0 3 330.428 4.159 20 30 EIEDHN Cc1oc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000027449504 1036855796 /nfs/dbraw/zinc/85/57/96/1036855796.db2.gz PWBYUCWTQGZWCL-KDOFPFPSSA-N 0 3 339.439 4.082 20 30 EIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccccc1CC(F)(F)F)CC2 ZINC000599090361 1036875739 /nfs/dbraw/zinc/87/57/39/1036875739.db2.gz DWXZTXJEZSMTPJ-GOSISDBHSA-N 0 3 330.353 4.440 20 30 EIEDHN COc1ccc([C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C2CC2)cn1 ZINC000599095990 1036876712 /nfs/dbraw/zinc/87/67/12/1036876712.db2.gz JZQKMPBWFGDHKO-TZIWHRDSSA-N 0 3 333.435 4.080 20 30 EIEDHN COc1cccc(C[C@@H]2CCCN2Cc2cn3ccccc3c2C#N)c1 ZINC000603868467 1037064122 /nfs/dbraw/zinc/06/41/22/1037064122.db2.gz OQZFFJXKTFOROE-IBGZPJMESA-N 0 3 345.446 4.027 20 30 EIEDHN CSc1ccccc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599634132 1037102920 /nfs/dbraw/zinc/10/29/20/1037102920.db2.gz RPBQJPLIIJZDJV-UHFFFAOYSA-N 0 3 338.476 4.076 20 30 EIEDHN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1cc(C)ccc1C ZINC000599640594 1037107132 /nfs/dbraw/zinc/10/71/32/1037107132.db2.gz KHUQYXLRJFQDJU-VQIMIIECSA-N 0 3 335.451 4.243 20 30 EIEDHN C[C@H](N[C@@H](C)c1cccc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000057555219 1037108200 /nfs/dbraw/zinc/10/82/00/1037108200.db2.gz DPBHBHRQVSWZAG-HOTGVXAUSA-N 0 3 343.430 4.389 20 30 EIEDHN CCc1cccc2c(CC(=O)C(C#N)c3nc4ccccc4o3)c[nH]c21 ZINC000171769416 1037660578 /nfs/dbraw/zinc/66/05/78/1037660578.db2.gz QJVVLYVEKRGKMQ-INIZCTEOSA-N 0 3 343.386 4.290 20 30 EIEDHN CC(C)CCOc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000171769688 1037660968 /nfs/dbraw/zinc/66/09/68/1037660968.db2.gz XMRQKOPDUICOBY-UHFFFAOYSA-N 0 3 338.451 4.304 20 30 EIEDHN COc1cc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000573887031 1037715669 /nfs/dbraw/zinc/71/56/69/1037715669.db2.gz UDSYBJMGRGBJHD-LBPRGKRZSA-N 0 3 334.341 4.436 20 30 EIEDHN C=CCN1CCC(NC(=O)c2sc3cc(C)ccc3c2Cl)CC1 ZINC000592068444 1037733047 /nfs/dbraw/zinc/73/30/47/1037733047.db2.gz JLGIILCHPMZMSN-UHFFFAOYSA-N 0 3 348.899 4.243 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(N2CCc3ccccc32)CC1 ZINC000503415635 1037750943 /nfs/dbraw/zinc/75/09/43/1037750943.db2.gz LQWNPBQADAKHFG-QGZVFWFLSA-N 0 3 331.463 4.146 20 30 EIEDHN N#Cc1ccccc1N1CCCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000183925583 1037763276 /nfs/dbraw/zinc/76/32/76/1037763276.db2.gz PNSDIRKKDDCBBW-UHFFFAOYSA-N 0 3 341.405 4.208 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592176667 1037771065 /nfs/dbraw/zinc/77/10/65/1037771065.db2.gz BJVWWACWQCBUSR-NRFANRHFSA-N 0 3 332.447 4.026 20 30 EIEDHN N#CCc1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000592391396 1037794628 /nfs/dbraw/zinc/79/46/28/1037794628.db2.gz CALTZKFLQIBLKS-GOSISDBHSA-N 0 3 326.827 4.410 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccc(CCCCC)cc2)CC1 ZINC000592526089 1037825236 /nfs/dbraw/zinc/82/52/36/1037825236.db2.gz CWQDFLWRWMZNTK-UHFFFAOYSA-N 0 3 329.488 4.191 20 30 EIEDHN C=CCn1c(SCCN2CCCCC2)nnc1-c1ccc(C)cc1 ZINC000489629075 1038177613 /nfs/dbraw/zinc/17/76/13/1038177613.db2.gz WQJLTUPVYPCOCM-UHFFFAOYSA-N 0 3 342.512 4.018 20 30 EIEDHN CC[C@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1 ZINC000423436385 1038235507 /nfs/dbraw/zinc/23/55/07/1038235507.db2.gz LVQMVIRRQACUNZ-RBUKOAKNSA-N 0 3 335.451 4.484 20 30 EIEDHN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594429659 1038330620 /nfs/dbraw/zinc/33/06/20/1038330620.db2.gz VJFRXINWVHENFP-RTBURBONSA-N 0 3 341.499 4.059 20 30 EIEDHN Cc1ccc(Oc2ccccc2)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594432605 1038334297 /nfs/dbraw/zinc/33/42/97/1038334297.db2.gz DVZKBQDFLAPLDK-KRWDZBQOSA-N 0 3 337.423 4.137 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000594443400 1038336814 /nfs/dbraw/zinc/33/68/14/1038336814.db2.gz GVKAOWXNRKZWAT-ZWKOTPCHSA-N 0 3 347.890 4.195 20 30 EIEDHN CC(C)Cc1ccc([C@H](NC(=O)[C@H](N)CCCCC#N)C(C)C)cc1 ZINC000594424892 1038339978 /nfs/dbraw/zinc/33/99/78/1038339978.db2.gz DKZWMDBAWKZUIM-WOJBJXKFSA-N 0 3 343.515 4.110 20 30 EIEDHN Cc1ccc(Oc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2)cc1 ZINC000594425145 1038341370 /nfs/dbraw/zinc/34/13/70/1038341370.db2.gz GAUUGPWSNIEJEI-LJQANCHMSA-N 0 3 337.423 4.137 20 30 EIEDHN CC(C)(C#N)c1ccc(CNCc2ccc(N3CCCCC3)nc2)cc1 ZINC000594494455 1038346964 /nfs/dbraw/zinc/34/69/64/1038346964.db2.gz GJJBGAIPEQYXLZ-UHFFFAOYSA-N 0 3 348.494 4.163 20 30 EIEDHN CC[C@H](NCCSCc1ccccc1C#N)c1ccc(F)cn1 ZINC000490131023 1038353303 /nfs/dbraw/zinc/35/33/03/1038353303.db2.gz RURUAIUTSCTJIB-KRWDZBQOSA-N 0 3 329.444 4.066 20 30 EIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc([S@@](C)=O)cc1 ZINC000594519574 1038359679 /nfs/dbraw/zinc/35/96/79/1038359679.db2.gz WDMCLBBQDQDODM-OYLFLEFRSA-N 0 3 338.476 4.026 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000594532553 1038364766 /nfs/dbraw/zinc/36/47/66/1038364766.db2.gz CUUWGOOZABRUPZ-OAHLLOKOSA-N 0 3 346.434 4.016 20 30 EIEDHN N#CC1(c2ccc(CN[C@H](c3ccccc3)[C@H]3CCCO3)cc2)CC1 ZINC000594916975 1038426208 /nfs/dbraw/zinc/42/62/08/1038426208.db2.gz DWNFJUSWBIACKX-NHCUHLMSSA-N 0 3 332.447 4.252 20 30 EIEDHN CN(CCOc1cccc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000059375190 1038497422 /nfs/dbraw/zinc/49/74/22/1038497422.db2.gz UJIXQHSWKXWXDA-UHFFFAOYSA-N 0 3 334.341 4.088 20 30 EIEDHN CCCOc1cc(CNC(C)(C)c2cccc(C#N)c2)ccc1OC ZINC000594964565 1038548080 /nfs/dbraw/zinc/54/80/80/1038548080.db2.gz DIOGBWOENUBPQA-UHFFFAOYSA-N 0 3 338.451 4.381 20 30 EIEDHN CC(C)(NCc1cccc(OCCCC#N)c1)c1cccc(C#N)c1 ZINC000594966805 1038564959 /nfs/dbraw/zinc/56/49/59/1038564959.db2.gz AQODDVQHPMYEHB-UHFFFAOYSA-N 0 3 333.435 4.266 20 30 EIEDHN COc1ccc([C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000539089107 1038832095 /nfs/dbraw/zinc/83/20/95/1038832095.db2.gz KRURMYYRBMGNHP-CQSZACIVSA-N 0 3 333.353 4.416 20 30 EIEDHN CCC(CC)[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000539251564 1038896501 /nfs/dbraw/zinc/89/65/01/1038896501.db2.gz WELBMHCKOFKLJT-FQEVSTJZSA-N 0 3 341.499 4.096 20 30 EIEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000041498968 1038984296 /nfs/dbraw/zinc/98/42/96/1038984296.db2.gz OEZQWFZRJHWXFK-HNNXBMFYSA-N 0 3 334.400 4.351 20 30 EIEDHN N#CC(C(=O)CCCOc1cccc(Cl)c1Cl)c1ccccn1 ZINC000067798258 1039237674 /nfs/dbraw/zinc/23/76/74/1039237674.db2.gz CQTHVBRWTVRANO-GFCCVEGCSA-N 0 3 349.217 4.424 20 30 EIEDHN COc1cc(C#N)ccc1CN[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481399956 1039375939 /nfs/dbraw/zinc/37/59/39/1039375939.db2.gz BEKFZNVRCDUYQH-ORAYPTAESA-N 0 3 344.842 4.086 20 30 EIEDHN N#CCCCOc1cccc(CN2CCC(OC3CCCC3)CC2)c1 ZINC000092758715 1039584072 /nfs/dbraw/zinc/58/40/72/1039584072.db2.gz IXZQCYWFABAQPE-UHFFFAOYSA-N 0 3 342.483 4.293 20 30 EIEDHN C=C(C)[C@H](NC[C@@H](O)CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000481593825 1039607079 /nfs/dbraw/zinc/60/70/79/1039607079.db2.gz FUMOCBHQXDAABJ-PXNSSMCTSA-N 0 3 331.406 4.165 20 30 EIEDHN C=C(C)[C@@H](NCCOc1ccccc1OC)c1ccc(F)c(F)c1 ZINC000481595529 1039611037 /nfs/dbraw/zinc/61/10/37/1039611037.db2.gz HKVMGJZFMPDUFA-LJQANCHMSA-N 0 3 333.378 4.259 20 30 EIEDHN COc1cccc(NC2CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000442670931 1039809372 /nfs/dbraw/zinc/80/93/72/1039809372.db2.gz FPZDUAWIXZOKIJ-MRXNPFEDSA-N 0 3 335.451 4.204 20 30 EIEDHN C=CC[C@H](C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000505584802 1039966681 /nfs/dbraw/zinc/96/66/81/1039966681.db2.gz BYJSAYKVIYVQBO-JRGCBEDISA-N 0 3 336.479 4.154 20 30 EIEDHN C=C[C@@H](CC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000535340151 1040206024 /nfs/dbraw/zinc/20/60/24/1040206024.db2.gz JYDCQJSFRSOVJB-RXVVDRJESA-N 0 3 336.479 4.074 20 30 EIEDHN CC[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(Cl)s1 ZINC000551547444 1040399261 /nfs/dbraw/zinc/39/92/61/1040399261.db2.gz MLAGTOQBAWXQOJ-ZDUSSCGKSA-N 0 3 330.844 4.162 20 30 EIEDHN C=CCCCCCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000508851401 1040449580 /nfs/dbraw/zinc/44/95/80/1040449580.db2.gz GZVXFDKGZOEZDJ-IEBWSBKVSA-N 0 3 331.504 4.066 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc([C@H]3CCOC3)c2)n1 ZINC000551661160 1040483532 /nfs/dbraw/zinc/48/35/32/1040483532.db2.gz IVTUSCMVAXMXSE-HOTGVXAUSA-N 0 3 340.448 4.260 20 30 EIEDHN Cc1ccccc1CN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000160517754 1040578028 /nfs/dbraw/zinc/57/80/28/1040578028.db2.gz ORDZMQGFDAOTPE-UHFFFAOYSA-N 0 3 344.462 4.404 20 30 EIEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(-c2ccc(C)cc2)n1 ZINC000435746160 1040599641 /nfs/dbraw/zinc/59/96/41/1040599641.db2.gz UIDYFXZENQYOHI-SJLPKXTDSA-N 0 3 328.481 4.189 20 30 EIEDHN CC(C)OCc1ccccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000539608541 1040605477 /nfs/dbraw/zinc/60/54/77/1040605477.db2.gz QVBWHTVYGQOQOS-HNNXBMFYSA-N 0 3 326.415 4.473 20 30 EIEDHN Cc1cccc2c1ncc(C)c2N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000462489065 1040659231 /nfs/dbraw/zinc/65/92/31/1040659231.db2.gz XPNOPBOBZOSHQT-FQEVSTJZSA-N 0 3 343.430 4.301 20 30 EIEDHN CCN(Cc1ccc(N(C)C(C)C)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000483165316 1040751508 /nfs/dbraw/zinc/75/15/08/1040751508.db2.gz BXASVJCAYYTLIU-KRWDZBQOSA-N 0 3 336.483 4.381 20 30 EIEDHN CC(C)OCc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000483202026 1040759496 /nfs/dbraw/zinc/75/94/96/1040759496.db2.gz QPGNALBGKYMSSW-KRWDZBQOSA-N 0 3 345.402 4.045 20 30 EIEDHN C[C@H](NC[C@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1Cl ZINC000554085508 1040790278 /nfs/dbraw/zinc/79/02/78/1040790278.db2.gz KSROHSMLHVMJRP-GXTWGEPZSA-N 0 3 349.261 4.292 20 30 EIEDHN Cc1ccc2[nH]c([C@@H]3CCCN(CC#Cc4ccccc4)C3)nc2c1 ZINC000484083271 1041110421 /nfs/dbraw/zinc/11/04/21/1041110421.db2.gz UDGUQDNNHNUGIH-LJQANCHMSA-N 0 3 329.447 4.102 20 30 EIEDHN Cc1ccc2nc([C@@H]3CCCN(CC#Cc4ccccc4)C3)[nH]c2c1 ZINC000484083271 1041110443 /nfs/dbraw/zinc/11/04/43/1041110443.db2.gz UDGUQDNNHNUGIH-LJQANCHMSA-N 0 3 329.447 4.102 20 30 EIEDHN N#CCC[C@H](C#N)CNC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000554452539 1041127419 /nfs/dbraw/zinc/12/74/19/1041127419.db2.gz POGVCVIZZMNSNR-TWVWUCKLSA-N 0 3 341.458 4.317 20 30 EIEDHN CC1CCC(Oc2cc(CN[C@@H]3CCC[C@H](C#N)C3)ccn2)CC1 ZINC000463235580 1041441648 /nfs/dbraw/zinc/44/16/48/1041441648.db2.gz GYXXXUFXPRGDFY-DPCKTDSQSA-N 0 3 327.472 4.211 20 30 EIEDHN Cc1ccc(CCN(Cc2ccc(C#N)s2)C[C@H]2CCCO2)cc1 ZINC000538735221 1041503717 /nfs/dbraw/zinc/50/37/17/1041503717.db2.gz IXXIBAMZURVHMA-GOSISDBHSA-N 0 3 340.492 4.152 20 30 EIEDHN N#Cc1ccc(CN2CC[C@@H](c3ccccc3)C2)c(Br)c1 ZINC000480753531 1041511670 /nfs/dbraw/zinc/51/16/70/1041511670.db2.gz ZMEYHSRRKAFOCU-MRXNPFEDSA-N 0 3 341.252 4.310 20 30 EIEDHN CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC(C)(C)C ZINC000463367528 1041535468 /nfs/dbraw/zinc/53/54/68/1041535468.db2.gz MNOJROMWANCZQR-HNNXBMFYSA-N 0 3 347.528 4.387 20 30 EIEDHN C=C(C)COCCN[C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000540988845 1041768678 /nfs/dbraw/zinc/76/86/78/1041768678.db2.gz JEIOFSMUNQQSPY-OAHLLOKOSA-N 0 3 333.419 4.292 20 30 EIEDHN C=C1C[C@@H]2CC(NCc3ncc(Br)s3)C[C@H](C1)C2 ZINC000714924417 1041785553 /nfs/dbraw/zinc/78/55/53/1041785553.db2.gz IQZYDJRYAFHCMW-FOSCPWQOSA-N 0 3 327.291 4.130 20 30 EIEDHN CN(Cc1cccc(C#N)c1F)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541700912 1042076979 /nfs/dbraw/zinc/07/69/79/1042076979.db2.gz GWZPBSAZWKIKSP-OALUTQOASA-N 0 3 342.389 4.189 20 30 EIEDHN N#Cc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 ZINC000506297776 1042286094 /nfs/dbraw/zinc/28/60/94/1042286094.db2.gz MUWRLFMVCNJKOX-UHFFFAOYSA-N 0 3 345.446 4.012 20 30 EIEDHN N#CCCn1cc(C(=O)CN2CCC[C@H]2C2CCC2)c2ccccc21 ZINC000174844903 1042715445 /nfs/dbraw/zinc/71/54/45/1042715445.db2.gz RLGVJAPMJPPOFN-IBGZPJMESA-N 0 3 335.451 4.002 20 30 EIEDHN Cc1ccc([C@@H](Cn2ccnc2)NCc2ccc(C#N)c(C)c2)c(C)c1 ZINC000443997639 1042746347 /nfs/dbraw/zinc/74/63/47/1042746347.db2.gz XVOBKSQIWCHFNE-JOCHJYFZSA-N 0 3 344.462 4.211 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H]2CCC[C@H](C)C2)c1C ZINC000519002865 1042785425 /nfs/dbraw/zinc/78/54/25/1042785425.db2.gz KHXFEQVOVYZBEU-QFBILLFUSA-N 0 3 341.499 4.061 20 30 EIEDHN COc1ccc(-c2nc(CNCC(C)(C)CCC#N)cs2)cc1 ZINC000072924051 1042869303 /nfs/dbraw/zinc/86/93/03/1042869303.db2.gz BDSDOVAYQDSPQW-UHFFFAOYSA-N 0 3 329.469 4.238 20 30 EIEDHN C=CCc1cc(CNCc2ccc(CC)cc2)cc(OC)c1OC ZINC000237179743 1042874707 /nfs/dbraw/zinc/87/47/07/1042874707.db2.gz POBSDDCOWNTZND-UHFFFAOYSA-N 0 3 325.452 4.285 20 30 EIEDHN C=CCSCCN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000494049687 1043008210 /nfs/dbraw/zinc/00/82/10/1043008210.db2.gz PKSYGJRUJTUAPR-IBGZPJMESA-N 0 3 331.456 4.433 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248444305 1043121109 /nfs/dbraw/zinc/12/11/09/1043121109.db2.gz WBSWPBYHIQONQW-XJKSGUPXSA-N 0 3 348.372 4.172 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248444303 1043123183 /nfs/dbraw/zinc/12/31/83/1043123183.db2.gz WBSWPBYHIQONQW-CZUORRHYSA-N 0 3 348.372 4.172 20 30 EIEDHN N#CC1CCC(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000929333805 1043240052 /nfs/dbraw/zinc/24/00/52/1043240052.db2.gz YEMZVROUXQMDOO-BPNZPQAUSA-N 0 3 342.327 4.379 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccc(-c3ccccc3)cc2C)CC1 ZINC000730125297 1043448151 /nfs/dbraw/zinc/44/81/51/1043448151.db2.gz RXEYSWNZSCOWLT-UHFFFAOYSA-N 0 3 349.478 4.434 20 30 EIEDHN Clc1ccc([C@@H]2OCC[C@@H]2NCC#Cc2cccc(Cl)c2)cc1 ZINC000494478471 1043509254 /nfs/dbraw/zinc/50/92/54/1043509254.db2.gz VTRZPSUENFYUJN-OALUTQOASA-N 0 3 346.257 4.465 20 30 EIEDHN Clc1ccc([C@H]2OCC[C@@H]2NCC#Cc2cccc(Cl)c2)cc1 ZINC000494478473 1043510759 /nfs/dbraw/zinc/51/07/59/1043510759.db2.gz VTRZPSUENFYUJN-RBUKOAKNSA-N 0 3 346.257 4.465 20 30 EIEDHN CCS[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)C ZINC000730421136 1043512433 /nfs/dbraw/zinc/51/24/33/1043512433.db2.gz KGNQQGFFJRISRN-IAQYHMDHSA-N 0 3 336.457 4.389 20 30 EIEDHN CCS[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)C ZINC000730421547 1043512524 /nfs/dbraw/zinc/51/25/24/1043512524.db2.gz KGNQQGFFJRISRN-NHYWBVRUSA-N 0 3 336.457 4.389 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(OC(F)F)c(F)c1 ZINC000922147477 1043665046 /nfs/dbraw/zinc/66/50/46/1043665046.db2.gz YKDHSXNNUUDRFE-UHFFFAOYSA-N 0 3 334.341 4.205 20 30 EIEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000521822277 1044013281 /nfs/dbraw/zinc/01/32/81/1044013281.db2.gz IFUMVNCEDWCILN-UHFFFAOYSA-N 0 3 342.826 4.351 20 30 EIEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000067978462 1044088655 /nfs/dbraw/zinc/08/86/55/1044088655.db2.gz LIIDIEXLCXEGHK-ZDUSSCGKSA-N 0 3 334.341 4.350 20 30 EIEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245911371 1044209327 /nfs/dbraw/zinc/20/93/27/1044209327.db2.gz FWXQGKRQZIYEKJ-OPAMFIHVSA-N 0 3 342.446 4.152 20 30 EIEDHN Oc1ccccc1/C=N/[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903385 1044411895 /nfs/dbraw/zinc/41/18/95/1044411895.db2.gz MMWHHAUEPPCLEB-HPMPDSITSA-N 0 3 348.368 4.104 20 30 EIEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC000914576310 1044522504 /nfs/dbraw/zinc/52/25/04/1044522504.db2.gz DBHUBNQWQUVSOH-GOSISDBHSA-N 0 3 346.268 4.171 20 30 EIEDHN C=CC[C@@H](NCc1ccc(OC)c(OCC(=C)C)c1)c1ccncc1 ZINC000734510427 1044593552 /nfs/dbraw/zinc/59/35/52/1044593552.db2.gz UWWDQHDWHVOQCN-LJQANCHMSA-N 0 3 338.451 4.452 20 30 EIEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H](c2ccccc2)C1 ZINC000735309481 1044797368 /nfs/dbraw/zinc/79/73/68/1044797368.db2.gz FWASXJGGXCHTCA-MRXNPFEDSA-N 0 3 326.827 4.232 20 30 EIEDHN C[C@H]1SCCN(Cc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000735673798 1044857078 /nfs/dbraw/zinc/85/70/78/1044857078.db2.gz HBPOIQSYBYINES-OXQOHEQNSA-N 0 3 338.476 4.268 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccccc3OC(C)C)nc21 ZINC000735793586 1044867942 /nfs/dbraw/zinc/86/79/42/1044867942.db2.gz WGQLAEUOHHEXOA-MRXNPFEDSA-N 0 3 347.418 4.078 20 30 EIEDHN Cc1c(CN2CCSCC2)cccc1NCc1cccc(C#N)c1 ZINC000125603184 1045027984 /nfs/dbraw/zinc/02/79/84/1045027984.db2.gz VQRAFOZGOKMYJL-UHFFFAOYSA-N 0 3 337.492 4.028 20 30 EIEDHN CCCCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](CC)c1ccccc1 ZINC000303671057 1045050335 /nfs/dbraw/zinc/05/03/35/1045050335.db2.gz YRHSZCDYVXACJH-CTNGQTDRSA-N 0 3 341.499 4.048 20 30 EIEDHN CCCCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H](CC)c1ccccc1 ZINC000303671060 1045051764 /nfs/dbraw/zinc/05/17/64/1045051764.db2.gz YRHSZCDYVXACJH-TZIWHRDSSA-N 0 3 341.499 4.048 20 30 EIEDHN CCOc1ccc(O)c(/C=N/C[C@@H](c2ccsc2)N(CC)CC)c1 ZINC000915114126 1045114495 /nfs/dbraw/zinc/11/44/95/1045114495.db2.gz DUCIKURORFXZPP-TYJAPOHBSA-N 0 3 346.496 4.354 20 30 EIEDHN C=CC[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccncc1 ZINC000766017714 1045179386 /nfs/dbraw/zinc/17/93/86/1045179386.db2.gz CFTRGMNOAKVBQK-DNVCBOLYSA-N 0 3 337.423 4.006 20 30 EIEDHN N#Cc1ccc(-c2cccc(CNCc3cccc([N+](=O)[O-])c3)c2)s1 ZINC000740013303 1045180894 /nfs/dbraw/zinc/18/08/94/1045180894.db2.gz CKNRAQRXMNOPLT-UHFFFAOYSA-N 0 3 349.415 4.485 20 30 EIEDHN C=CC[C@@H](N[C@H](C)c1ccc(OCCOC)cc1)c1ccncc1 ZINC000766018214 1045192625 /nfs/dbraw/zinc/19/26/25/1045192625.db2.gz GPBSMTFYHYYKQE-OXQOHEQNSA-N 0 3 326.440 4.075 20 30 EIEDHN C=CC[C@H](N[C@@H](C)c1ccc(OC)c(COC)c1)c1ccncc1 ZINC000766018369 1045192803 /nfs/dbraw/zinc/19/28/03/1045192803.db2.gz GZINRGRTPDITEL-KXBFYZLASA-N 0 3 326.440 4.205 20 30 EIEDHN C=CC[C@H](N[C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccncc1 ZINC000766018428 1045193211 /nfs/dbraw/zinc/19/32/11/1045193211.db2.gz HSYSGPNIWLHHCU-YOEHRIQHSA-N 0 3 342.439 4.075 20 30 EIEDHN C=CC[C@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccncc1 ZINC000766020546 1045223737 /nfs/dbraw/zinc/22/37/37/1045223737.db2.gz QIHYSZUYMSTCGP-BEFAXECRSA-N 0 3 337.423 4.006 20 30 EIEDHN C=CC[C@@H](N[C@@H](CC)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000766020994 1045233844 /nfs/dbraw/zinc/23/38/44/1045233844.db2.gz RZEQHGOLZDPLII-ZWKOTPCHSA-N 0 3 326.440 4.457 20 30 EIEDHN N#Cc1ccccc1-c1ccc(CNCc2n[nH]c3ccccc23)cc1 ZINC000611346514 1045288617 /nfs/dbraw/zinc/28/86/17/1045288617.db2.gz METRPTDNTQDTMF-UHFFFAOYSA-N 0 3 338.414 4.391 20 30 EIEDHN N#Cc1ccccc1-c1ccc(CNCc2[nH]nc3ccccc32)cc1 ZINC000611346514 1045288626 /nfs/dbraw/zinc/28/86/26/1045288626.db2.gz METRPTDNTQDTMF-UHFFFAOYSA-N 0 3 338.414 4.391 20 30 EIEDHN N#Cc1cc(CN[C@@H](CCc2ccccc2)c2ccccc2)ccn1 ZINC000611383247 1045293466 /nfs/dbraw/zinc/29/34/66/1045293466.db2.gz HWAODVBLXDYJLV-QFIPXVFZSA-N 0 3 327.431 4.417 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccnc(OC2CCCC2)c1 ZINC000611390960 1045297759 /nfs/dbraw/zinc/29/77/59/1045297759.db2.gz XPJQWBYEWMQIGS-OAQYLSRUSA-N 0 3 347.462 4.442 20 30 EIEDHN COC(=O)CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611394169 1045298757 /nfs/dbraw/zinc/29/87/57/1045298757.db2.gz OFSAHLHQQYDYST-LEWJYISDSA-N 0 3 348.446 4.220 20 30 EIEDHN CC(=O)N1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000611394400 1045299377 /nfs/dbraw/zinc/29/93/77/1045299377.db2.gz HLPOVZPKNSLVFE-RTWAWAEBSA-N 0 3 345.446 4.023 20 30 EIEDHN N#CCCN(C(=O)CN[C@@H](CC1CC1)c1ccccc1)c1ccccc1 ZINC000611395639 1045301053 /nfs/dbraw/zinc/30/10/53/1045301053.db2.gz LNFLVMRRAVTOAP-NRFANRHFSA-N 0 3 347.462 4.064 20 30 EIEDHN C[C@@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000611465800 1045312798 /nfs/dbraw/zinc/31/27/98/1045312798.db2.gz UYHPYDIMBTUATR-QRWLVFNGSA-N 0 3 348.425 4.065 20 30 EIEDHN C[C@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000611465801 1045313248 /nfs/dbraw/zinc/31/32/48/1045313248.db2.gz UYHPYDIMBTUATR-YWZLYKJASA-N 0 3 348.425 4.065 20 30 EIEDHN N#CC(C(=O)CCC(=O)c1cccc(F)c1)c1ccc2ccccc2n1 ZINC000767434997 1045536499 /nfs/dbraw/zinc/53/64/99/1045536499.db2.gz XQIWXJDAIQETAL-KRWDZBQOSA-N 0 3 346.361 4.213 20 30 EIEDHN CC(C)[C@@H](C#N)N1CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000614911471 1045940943 /nfs/dbraw/zinc/94/09/43/1045940943.db2.gz MEFOHRQHCHMPRG-KITAHSCOSA-N 0 3 339.527 4.126 20 30 EIEDHN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000769990907 1046123955 /nfs/dbraw/zinc/12/39/55/1046123955.db2.gz PKPQELIDLUFVCP-ZWKOTPCHSA-N 0 3 348.368 4.183 20 30 EIEDHN N#Cc1ccccc1COc1cccc(CNC2CC(F)(F)C2)c1 ZINC000428637519 1046418594 /nfs/dbraw/zinc/41/85/94/1046418594.db2.gz DTOAMSOFEOWRCT-UHFFFAOYSA-N 0 3 328.362 4.025 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCC(C)(F)F)cc1 ZINC000916916303 1046447933 /nfs/dbraw/zinc/44/79/33/1046447933.db2.gz WTCNHKWBYZAZDE-OAHLLOKOSA-N 0 3 336.382 4.112 20 30 EIEDHN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1(C)C ZINC000916910688 1046455919 /nfs/dbraw/zinc/45/59/19/1046455919.db2.gz SGGGGOSIXXNGON-XJKCOSOUSA-N 0 3 344.842 4.226 20 30 EIEDHN N#CC(C(=O)C=Cc1ccsc1)c1nc2ccccc2n1C(F)F ZINC000917041690 1046570720 /nfs/dbraw/zinc/57/07/20/1046570720.db2.gz WLVGFAKNIOJZSC-FJOGCWAESA-N 0 3 343.358 4.383 20 30 EIEDHN C=C(C)COCCN[C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000536849983 1046821520 /nfs/dbraw/zinc/82/15/20/1046821520.db2.gz DALNDWIMWUUECP-KRWDZBQOSA-N 0 3 327.472 4.041 20 30 EIEDHN N#CC(C(=O)CCCC1CCCC1)C(=O)NCc1cccc(Cl)c1 ZINC000786533678 1046845459 /nfs/dbraw/zinc/84/54/59/1046845459.db2.gz HJFFXQCRCYCREH-KRWDZBQOSA-N 0 3 346.858 4.026 20 30 EIEDHN Cc1cccc(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)c1C ZINC000917406172 1046872853 /nfs/dbraw/zinc/87/28/53/1046872853.db2.gz JEBFTBCZIFYOLT-HNNXBMFYSA-N 0 3 349.459 4.226 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(C#N)c(F)c1 ZINC000537406922 1047199793 /nfs/dbraw/zinc/19/97/93/1047199793.db2.gz KTSPUIJNZBTUFA-LSDHHAIUSA-N 0 3 334.398 4.295 20 30 EIEDHN COc1cc(C)c([C@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000537408376 1047202090 /nfs/dbraw/zinc/20/20/90/1047202090.db2.gz XJHKSCSSYKPILZ-KBPBESRZSA-N 0 3 342.414 4.435 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N(CCCCC)[C@H](C)CCC)CC1 ZINC000476039537 1047246226 /nfs/dbraw/zinc/24/62/26/1047246226.db2.gz GEBRRHSSMQIQPB-GOSISDBHSA-N 0 3 337.552 4.417 20 30 EIEDHN N#Cc1ccc(CN(Cc2cccc(Br)c2)C2CC2)cc1 ZINC000026446136 1047396417 /nfs/dbraw/zinc/39/64/17/1047396417.db2.gz UZMOGGJQBIDRBJ-UHFFFAOYSA-N 0 3 341.252 4.485 20 30 EIEDHN CSC1(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000789348451 1047400535 /nfs/dbraw/zinc/40/05/35/1047400535.db2.gz QWDJTVSOIOWRIA-CYBMUJFWSA-N 0 3 328.462 4.190 20 30 EIEDHN CN(C)[C@H](C/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000746816228 1047428838 /nfs/dbraw/zinc/42/88/38/1047428838.db2.gz OOZQGHHHTJRPLL-OVEPSTSESA-N 0 3 337.250 4.421 20 30 EIEDHN COc1ccccc1C[C@@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000476267912 1047441027 /nfs/dbraw/zinc/44/10/27/1047441027.db2.gz BBKSPTALTZOYEQ-IBGZPJMESA-N 0 3 345.446 4.027 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(F)(c3ccccc3)CC2)cc1 ZINC000789757366 1047468432 /nfs/dbraw/zinc/46/84/32/1047468432.db2.gz MYVALDHVXIGDEJ-KRWDZBQOSA-N 0 3 338.426 4.438 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2cc(C)ccc2C)CC1 ZINC000106275711 1047671717 /nfs/dbraw/zinc/67/17/17/1047671717.db2.gz TYXCOMLLTWRQHG-SFHVURJKSA-N 0 3 343.515 4.046 20 30 EIEDHN Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1Br ZINC000618741004 1047809941 /nfs/dbraw/zinc/80/99/41/1047809941.db2.gz BOJMRBVGGSEVHQ-GOSISDBHSA-N 0 3 341.252 4.406 20 30 EIEDHN C=CCC[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000805900683 1048096992 /nfs/dbraw/zinc/09/69/92/1048096992.db2.gz SIDWVQCADGOSPY-HXUWFJFHSA-N 0 3 327.468 4.187 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000556908378 1048176994 /nfs/dbraw/zinc/17/69/94/1048176994.db2.gz IWFPIJZZYKZQFS-NRFANRHFSA-N 0 3 337.463 4.245 20 30 EIEDHN N=C(N[C@H]1CCc2cc(Cl)ccc2C1)c1ccc2ccccc2n1 ZINC001171104972 1048196310 /nfs/dbraw/zinc/19/63/10/1048196310.db2.gz LXYMJUDSMSLHTP-KRWDZBQOSA-N 0 3 335.838 4.151 20 30 EIEDHN O=C1C=C2CN(Cc3ccc(C(F)(F)F)c(Cl)c3)CCC2S1 ZINC001143806063 1048214244 /nfs/dbraw/zinc/21/42/44/1048214244.db2.gz XBKMAIKHBYSLBY-CYBMUJFWSA-N 0 3 347.789 4.133 20 30 EIEDHN C=CCc1cc(OCC)cc(CN2CCC[C@@H]2c2cc(C)no2)c1O ZINC000919939506 1048321769 /nfs/dbraw/zinc/32/17/69/1048321769.db2.gz YFBWXKKNJUCPEK-GOSISDBHSA-N 0 3 342.439 4.153 20 30 EIEDHN C#Cc1ccc(CNCc2cccc(COCc3ccco3)c2)cc1 ZINC000809606222 1048414216 /nfs/dbraw/zinc/41/42/16/1048414216.db2.gz WVVJGPOSEJZXIK-UHFFFAOYSA-N 0 3 331.415 4.268 20 30 EIEDHN C#Cc1ccc(CN[C@H](Cn2ccnc2)c2ccc(C)cc2C)cc1 ZINC000809627843 1048442115 /nfs/dbraw/zinc/44/21/15/1048442115.db2.gz HXYCYNZPWOXAGI-JOCHJYFZSA-N 0 3 329.447 4.012 20 30 EIEDHN C#Cc1ccc(CNCc2cc3cc(Br)ccc3[nH]2)cc1 ZINC000809641802 1048448687 /nfs/dbraw/zinc/44/86/87/1048448687.db2.gz SNKZOTJLEOLFKC-UHFFFAOYSA-N 0 3 339.236 4.202 20 30 EIEDHN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000920173964 1048572090 /nfs/dbraw/zinc/57/20/90/1048572090.db2.gz HYDPHKARPWQBRI-IHGRXGKKSA-N 0 3 328.843 4.300 20 30 EIEDHN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000920173964 1048572109 /nfs/dbraw/zinc/57/21/09/1048572109.db2.gz HYDPHKARPWQBRI-IHGRXGKKSA-N 0 3 328.843 4.300 20 30 EIEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128839 1048639388 /nfs/dbraw/zinc/63/93/88/1048639388.db2.gz KDNLHFDEOXYZFH-IAGOWNOFSA-N 0 3 347.462 4.487 20 30 EIEDHN CC(C)C(=O)Nc1cccc(NC(=N)c2ccc3cc(O)ccc3c2)c1 ZINC001171181995 1048661770 /nfs/dbraw/zinc/66/17/70/1048661770.db2.gz GTISIRMXYVWUKZ-UHFFFAOYSA-N 0 3 347.418 4.177 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H](c1ccccc1)c1ccccn1 ZINC001171186593 1048678069 /nfs/dbraw/zinc/67/80/69/1048678069.db2.gz XDECUUWZVAWKOM-HTAPYJJXSA-N 0 3 327.431 4.263 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000920944096 1048817995 /nfs/dbraw/zinc/81/79/95/1048817995.db2.gz PQZQADXYDAULIC-LZAZYHHXSA-N 0 3 328.843 4.302 20 30 EIEDHN C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc2ccccc2c1[O-] ZINC000816609089 1048844062 /nfs/dbraw/zinc/84/40/62/1048844062.db2.gz RIFCVCCIXGKBTG-UHFFFAOYSA-N 0 3 337.419 4.209 20 30 EIEDHN C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc2ccccc2c1[O-] ZINC000816609089 1048844065 /nfs/dbraw/zinc/84/40/65/1048844065.db2.gz RIFCVCCIXGKBTG-UHFFFAOYSA-N 0 3 337.419 4.209 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCSC[C@@H]1c1ccc(F)cc1 ZINC001171224237 1048859242 /nfs/dbraw/zinc/85/92/42/1048859242.db2.gz QCMTUJFTZGZZFV-MGPUTAFESA-N 0 3 340.467 4.418 20 30 EIEDHN Cc1cc(N2CCN(C)CC2)ccc1Nc1ccc(C2(C#N)CC2)cc1 ZINC001212255864 1048996481 /nfs/dbraw/zinc/99/64/81/1048996481.db2.gz HKLGGNNBGDWYMH-UHFFFAOYSA-N 0 3 346.478 4.046 20 30 EIEDHN CN(C)[C@H]1CCOc2c(Nc3ccc(C4(C#N)CC4)cc3)cccc21 ZINC001212259934 1049094391 /nfs/dbraw/zinc/09/43/91/1049094391.db2.gz BYPVTHYSRXTHTM-IBGZPJMESA-N 0 3 333.435 4.371 20 30 EIEDHN C#C[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000811517434 1049101505 /nfs/dbraw/zinc/10/15/05/1049101505.db2.gz SOFPORPXTNSYCN-KRWDZBQOSA-N 0 3 348.874 4.003 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000078533520 1049243730 /nfs/dbraw/zinc/24/37/30/1049243730.db2.gz KNIROQJSFZPEJE-FQEVSTJZSA-N 0 3 343.515 4.114 20 30 EIEDHN COc1cc(CN2CCCCC2)ccc1OCc1cccc(C#N)c1 ZINC000609739479 1049307233 /nfs/dbraw/zinc/30/72/33/1049307233.db2.gz QJUTYEKGPFTBGF-UHFFFAOYSA-N 0 3 336.435 4.132 20 30 EIEDHN C[C@H]1SCCN(CCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000609829487 1049349295 /nfs/dbraw/zinc/34/92/95/1049349295.db2.gz XPHRXLKLMOZRFP-OXQOHEQNSA-N 0 3 338.476 4.116 20 30 EIEDHN COc1ccc(CN[C@H](C)c2ccc(SC)c(F)c2)cc1C#N ZINC000773072607 1049562587 /nfs/dbraw/zinc/56/25/87/1049562587.db2.gz ARAWNLCLVJSSQR-GFCCVEGCSA-N 0 3 330.428 4.279 20 30 EIEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000773081636 1049571375 /nfs/dbraw/zinc/57/13/75/1049571375.db2.gz FGZVYFKYWUKKPB-IBGZPJMESA-N 0 3 336.435 4.133 20 30 EIEDHN Cc1sc(NC(=O)CNC(C)(C)c2cccc(C)c2)c(C#N)c1C ZINC000179594181 1049683536 /nfs/dbraw/zinc/68/35/36/1049683536.db2.gz UENCXNIHUBHDSU-UHFFFAOYSA-N 0 3 341.480 4.008 20 30 EIEDHN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(C#N)cc1 ZINC000179727596 1049732774 /nfs/dbraw/zinc/73/27/74/1049732774.db2.gz IXYXARYCQVHKHQ-SZNDQCEHSA-N 0 3 334.419 4.131 20 30 EIEDHN CCSc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000813791009 1049817604 /nfs/dbraw/zinc/81/76/04/1049817604.db2.gz NWUZJJCIKPHZQT-HNNXBMFYSA-N 0 3 326.465 4.379 20 30 EIEDHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1cc(Cl)ccc1OCC#N ZINC001171006409 1049824921 /nfs/dbraw/zinc/82/49/21/1049824921.db2.gz FJJKSFVLASNTIJ-AWEZNQCLSA-N 0 3 346.833 4.444 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2cc(F)ccc2C)ccc1OC ZINC000180207592 1049865303 /nfs/dbraw/zinc/86/53/03/1049865303.db2.gz VNGNJZCFKSSVLF-GOSISDBHSA-N 0 3 342.414 4.114 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1coc(-c2ccc(F)cc2)n1 ZINC001172304110 1049873886 /nfs/dbraw/zinc/87/38/86/1049873886.db2.gz HCGKPXQFBYJSDW-CQSZACIVSA-N 0 3 335.382 4.073 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)N(C)Cc1ncccc1C(F)(F)F ZINC001172314682 1049875498 /nfs/dbraw/zinc/87/54/98/1049875498.db2.gz LEZMOXQTMBUFDK-ZDUSSCGKSA-N 0 3 333.357 4.035 20 30 EIEDHN CC[C@@H](C)OCC[C@@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172362754 1049896037 /nfs/dbraw/zinc/89/60/37/1049896037.db2.gz XFNLBJZANDLYAD-IAGOWNOFSA-N 0 3 332.463 4.277 20 30 EIEDHN CC(C)C[C@@H](C(=O)OCc1ccccc1)N(C)[C@@H](C)CCCC#N ZINC001172497526 1049921351 /nfs/dbraw/zinc/92/13/51/1049921351.db2.gz CLMAABNSWYRWON-HKUYNNGSSA-N 0 3 330.472 4.159 20 30 EIEDHN CC(C)Oc1cccc(CC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000069285804 1050030323 /nfs/dbraw/zinc/03/03/23/1050030323.db2.gz YKYJTSCGDIYSIA-MRXNPFEDSA-N 0 3 334.375 4.034 20 30 EIEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000248326048 1050049763 /nfs/dbraw/zinc/04/97/63/1050049763.db2.gz BQOBZOZFKZJPKZ-HZPDHXFCSA-N 0 3 347.528 4.245 20 30 EIEDHN CCCOC1CCC(N2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001173105647 1050305536 /nfs/dbraw/zinc/30/55/36/1050305536.db2.gz LMKXJDLNXAIAMS-UHFFFAOYSA-N 0 3 344.474 4.421 20 30 EIEDHN CC(C)(C#N)CCCCN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000618283291 1050328114 /nfs/dbraw/zinc/32/81/14/1050328114.db2.gz FZSDUFJBPIOOLM-PHIMTYICSA-N 0 3 330.316 4.379 20 30 EIEDHN C=CCC[C@@H](NCc1cc2c(cc1OC)OCO2)c1ccccc1 ZINC001178249705 1050410474 /nfs/dbraw/zinc/41/04/74/1050410474.db2.gz RYNHQWWTSFVZQJ-QGZVFWFLSA-N 0 3 325.408 4.221 20 30 EIEDHN C=CCOC1CCC(N2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001173326901 1050418458 /nfs/dbraw/zinc/41/84/58/1050418458.db2.gz UKXKSGNNYPXPQY-SOAGJPPSSA-N 0 3 349.902 4.401 20 30 EIEDHN N#CCC1CCC(N[C@@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001173330509 1050420957 /nfs/dbraw/zinc/42/09/57/1050420957.db2.gz RSCTTXPJCGTPHV-TZDAIYRESA-N 0 3 327.255 4.089 20 30 EIEDHN N#CCCCOc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741338 1050501696 /nfs/dbraw/zinc/50/16/96/1050501696.db2.gz FBVGVYOUNATJNH-NRFANRHFSA-N 0 3 331.419 4.018 20 30 EIEDHN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1OC(C)C ZINC000618742141 1050504030 /nfs/dbraw/zinc/50/40/30/1050504030.db2.gz JZRRHNZADFCPJF-LJQANCHMSA-N 0 3 336.435 4.131 20 30 EIEDHN C#Cc1ccc(CNCc2ccc(Br)c(Cl)c2)cc1 ZINC001178758719 1050545991 /nfs/dbraw/zinc/54/59/91/1050545991.db2.gz GGBOQGMDWTVACT-UHFFFAOYSA-N 0 3 334.644 4.374 20 30 EIEDHN N#CC1(CN[C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CCC1 ZINC001173700258 1050546832 /nfs/dbraw/zinc/54/68/32/1050546832.db2.gz GWSJGAWHLNTAOT-NRFANRHFSA-N 0 3 346.474 4.406 20 30 EIEDHN CN(C)Cc1ccccc1Nc1cc(Br)cc(C#N)c1 ZINC001173930900 1050651775 /nfs/dbraw/zinc/65/17/75/1050651775.db2.gz BEWUDGCEJIWAEC-UHFFFAOYSA-N 0 3 330.229 4.126 20 30 EIEDHN C[C@H](N[C@H]1CCCc2nn(-c3ccccc3)cc21)c1cccc(C#N)c1 ZINC000619465699 1050790336 /nfs/dbraw/zinc/79/03/36/1050790336.db2.gz NLXGNFWZYZGGKB-KKSFZXQISA-N 0 3 342.446 4.472 20 30 EIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC1(c2ccc3c(c2)OCO3)CC1 ZINC000619508554 1050798126 /nfs/dbraw/zinc/79/81/26/1050798126.db2.gz LBJDMXJHTLVHII-LJQANCHMSA-N 0 3 346.430 4.333 20 30 EIEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000619526336 1050803716 /nfs/dbraw/zinc/80/37/16/1050803716.db2.gz VLBVKKJIOOEJSZ-INIZCTEOSA-N 0 3 333.435 4.283 20 30 EIEDHN COc1ccc(CNCCSCc2ccccc2C#N)c(Cl)c1 ZINC000619573081 1050818174 /nfs/dbraw/zinc/81/81/74/1050818174.db2.gz KOODQGHCXNHKQH-UHFFFAOYSA-N 0 3 346.883 4.243 20 30 EIEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc1OC ZINC000619755376 1050882990 /nfs/dbraw/zinc/88/29/90/1050882990.db2.gz GPWJARXFMIDVGP-GFCCVEGCSA-N 0 3 330.815 4.080 20 30 EIEDHN C[C@@H](CCC#N)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001180372502 1050982594 /nfs/dbraw/zinc/98/25/94/1050982594.db2.gz TULDECJFXPYFIO-FQEVSTJZSA-N 0 3 347.506 4.333 20 30 EIEDHN C=CC(C)(C)CCNCc1c(Br)cccc1[N+](=O)[O-] ZINC001203235120 1051083989 /nfs/dbraw/zinc/08/39/89/1051083989.db2.gz NBQLEZUGVBWJQI-UHFFFAOYSA-N 0 3 327.222 4.049 20 30 EIEDHN C=CCc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1O ZINC000775361194 1051128500 /nfs/dbraw/zinc/12/85/00/1051128500.db2.gz BEVASUSDRCZVQK-HNNXBMFYSA-N 0 3 340.467 4.046 20 30 EIEDHN C=C(C)Cc1ccc(C(=O)N(C2CCCC2)C2CCN(C)CC2)cc1 ZINC001190224217 1051133377 /nfs/dbraw/zinc/13/33/77/1051133377.db2.gz IGFBUMJAMMOKNK-UHFFFAOYSA-N 0 3 340.511 4.284 20 30 EIEDHN C[C@H](C#N)OCCN1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001174758109 1051180529 /nfs/dbraw/zinc/18/05/29/1051180529.db2.gz ACFFQVHIWPSNMU-RHSMWYFYSA-N 0 3 340.389 4.031 20 30 EIEDHN CC(C)P(CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1)C(C)C ZINC001181206991 1051185792 /nfs/dbraw/zinc/18/57/92/1051185792.db2.gz JASQYYJLIJSRDO-UHFFFAOYSA-N 0 3 348.427 4.131 20 30 EIEDHN C#CCCCCCCN1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001190582092 1051225867 /nfs/dbraw/zinc/22/58/67/1051225867.db2.gz OPZIPITXVQMTNU-UHFFFAOYSA-N 0 3 347.572 4.142 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000775407307 1051262461 /nfs/dbraw/zinc/26/24/61/1051262461.db2.gz DMOTYAAXBNQCLH-SIKLNZKXSA-N 0 3 345.446 4.406 20 30 EIEDHN CC[C@H]1CCCCCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001191122402 1051358909 /nfs/dbraw/zinc/35/89/09/1051358909.db2.gz QCRITJYCDNYNEZ-IBGZPJMESA-N 0 3 341.499 4.205 20 30 EIEDHN C#C[C@H](NC1CC2(C1)COC(C)(C)C2)c1ccc(Br)cc1 ZINC001182030890 1051373940 /nfs/dbraw/zinc/37/39/40/1051373940.db2.gz DLZNGMFVYINEFE-PQUAAJSLSA-N 0 3 348.284 4.061 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000774241241 1051513383 /nfs/dbraw/zinc/51/33/83/1051513383.db2.gz BBVGNEAFDUCQAJ-CTNGQTDRSA-N 0 3 333.435 4.480 20 30 EIEDHN C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCN1Cc1cncc(C#N)c1 ZINC001175418120 1051581353 /nfs/dbraw/zinc/58/13/53/1051581353.db2.gz FKWHZNTXGZIIKF-IBGZPJMESA-N 0 3 343.833 4.343 20 30 EIEDHN N#CCC[C@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775553871 1051833610 /nfs/dbraw/zinc/83/36/10/1051833610.db2.gz RSZPFXNUBDLZFB-ZWKOTPCHSA-N 0 3 348.368 4.373 20 30 EIEDHN C[C@@H]1CCC[C@H](C2CN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)C1 ZINC001183443826 1051844495 /nfs/dbraw/zinc/84/44/95/1051844495.db2.gz JXLXXHLDAONQRU-APWZRJJASA-N 0 3 348.494 4.217 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCCC[C@H](C)C2)c1 ZINC001193516536 1051942714 /nfs/dbraw/zinc/94/27/14/1051942714.db2.gz CYDUJDALETUSQH-LPHOPBHVSA-N 0 3 341.499 4.061 20 30 EIEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CC#Cc2ccccc2Cl)C1 ZINC001193957477 1052031673 /nfs/dbraw/zinc/03/16/73/1052031673.db2.gz YMCXCOQNKFWMJW-LGYWMIHWSA-N 0 3 345.914 4.343 20 30 EIEDHN C=CCC[C@H](NCC(=O)N[C@H](C)c1cccs1)c1ccccc1 ZINC000180047553 1052775858 /nfs/dbraw/zinc/77/58/58/1052775858.db2.gz MBUIEJSIDPDNHV-WBVHZDCISA-N 0 3 328.481 4.222 20 30 EIEDHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001195277097 1053356911 /nfs/dbraw/zinc/35/69/11/1053356911.db2.gz DUYUGURMEQWQHA-WBVHZDCISA-N 0 3 347.890 4.297 20 30 EIEDHN N#CCC[C@H](NC[C@H](O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000775654974 1053392536 /nfs/dbraw/zinc/39/25/36/1053392536.db2.gz KLNFFAVDZRCUAT-ROUUACIJSA-N 0 3 332.806 4.147 20 30 EIEDHN Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccc(C#N)cc1 ZINC000765015068 1053421202 /nfs/dbraw/zinc/42/12/02/1053421202.db2.gz OAOVMGYLJFKRJW-ZDUSSCGKSA-N 0 3 334.448 4.236 20 30 EIEDHN CCC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000794834132 1053453091 /nfs/dbraw/zinc/45/30/91/1053453091.db2.gz XMNDVHLNNQEDEK-GKCIPKSASA-N 0 3 326.415 4.250 20 30 EIEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1-c1ccc(C)cc1 ZINC001195707785 1053466592 /nfs/dbraw/zinc/46/65/92/1053466592.db2.gz KUGWCEGOPGNTSJ-FQEVSTJZSA-N 0 3 348.490 4.351 20 30 EIEDHN COC[C@@H](C)N(Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC001196646622 1053715285 /nfs/dbraw/zinc/71/52/85/1053715285.db2.gz MUGAEUTZXRKTNC-VFNWGFHPSA-N 0 3 338.426 4.222 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc3ncsc3c2)cc1 ZINC000776807261 1053907392 /nfs/dbraw/zinc/90/73/92/1053907392.db2.gz GEUIFKIBCBFVSF-KBPBESRZSA-N 0 3 337.448 4.438 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc(NC(=O)CC(C)C)c1 ZINC000921594234 1053911940 /nfs/dbraw/zinc/91/19/40/1053911940.db2.gz FLIYUFCJURZOPF-UHFFFAOYSA-N 0 3 349.478 4.450 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(F)cc2)ccc1OC ZINC000113308827 1053917411 /nfs/dbraw/zinc/91/74/11/1053917411.db2.gz GTTWPFVREAYEKU-KBXCAEBGSA-N 0 3 342.414 4.366 20 30 EIEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1cc(Cl)cc(Cl)c1F ZINC001197611849 1053943786 /nfs/dbraw/zinc/94/37/86/1053943786.db2.gz WNVVWXQLAUGVIU-ZYHUDNBSSA-N 0 3 345.245 4.228 20 30 EIEDHN CC(C)(C(=O)C(C#N)c1nc2cc(F)ccc2s1)[C@H]1CCCCO1 ZINC000870195603 1054070756 /nfs/dbraw/zinc/07/07/56/1054070756.db2.gz LOEVHPOVFJLYQU-IUODEOHRSA-N 0 3 346.427 4.207 20 30 EIEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(C(F)(F)F)nc1 ZINC000872130507 1054405782 /nfs/dbraw/zinc/40/57/82/1054405782.db2.gz NWLLMYQLTVNFPX-BZNIZROVSA-N 0 3 331.341 4.310 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc3cc[nH]c3c2)ccc1OC ZINC000858136108 1054420353 /nfs/dbraw/zinc/42/03/53/1054420353.db2.gz IKRTWZLEBDKLDC-SFHVURJKSA-N 0 3 349.434 4.147 20 30 EIEDHN CSCCCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000124036883 1054435362 /nfs/dbraw/zinc/43/53/62/1054435362.db2.gz GMETZCBSARGGDU-MRXNPFEDSA-N 0 3 340.448 4.020 20 30 EIEDHN C#CCOc1cccc(Cl)c1CN[C@H](C)Cc1ccccc1F ZINC001199648130 1054437460 /nfs/dbraw/zinc/43/74/60/1054437460.db2.gz DRXWANRTAQAUHR-CQSZACIVSA-N 0 3 331.818 4.212 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000858320835 1054464722 /nfs/dbraw/zinc/46/47/22/1054464722.db2.gz KBCIWOUGUIGHGH-BFUOFWGJSA-N 0 3 326.827 4.408 20 30 EIEDHN COc1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000124969661 1054654860 /nfs/dbraw/zinc/65/48/60/1054654860.db2.gz VQYYJPLSYJUKCK-GFCCVEGCSA-N 0 3 334.341 4.436 20 30 EIEDHN CCCCCCCN1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001201776524 1054914335 /nfs/dbraw/zinc/91/43/35/1054914335.db2.gz DZZOWWMAOOIBKB-OAQYLSRUSA-N 0 3 343.515 4.009 20 30 EIEDHN CCCCCCCCCN1CCn2cc(CN3CCCCC3)nc2C1 ZINC001201846332 1054933592 /nfs/dbraw/zinc/93/35/92/1054933592.db2.gz IVQDCTDPGFDVJW-UHFFFAOYSA-N 0 3 346.563 4.435 20 30 EIEDHN CCN(CCC#N)C(=O)CN[C@H](CCC(C)C)c1ccc(Cl)cc1 ZINC001168593121 1054956030 /nfs/dbraw/zinc/95/60/30/1054956030.db2.gz IXRJAIFDKVNYQR-GOSISDBHSA-N 0 3 349.906 4.169 20 30 EIEDHN C=CCOCc1nn(C)c2c1CN(CC[C@@H](C)CCC=C(C)C)CC2 ZINC001201974188 1054973605 /nfs/dbraw/zinc/97/36/05/1054973605.db2.gz WLPUCNYMFDGYPS-SFHVURJKSA-N 0 3 345.531 4.253 20 30 EIEDHN N#Cc1cnc(Cl)c(CNCC2(Sc3ccccc3)CC2)c1 ZINC000877008401 1055001281 /nfs/dbraw/zinc/00/12/81/1055001281.db2.gz QPXDEKONJKYKED-UHFFFAOYSA-N 0 3 329.856 4.021 20 30 EIEDHN CC(C)(C)OC(=O)Nc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000877622650 1055092949 /nfs/dbraw/zinc/09/29/49/1055092949.db2.gz RWNBQFACCABKII-HNNXBMFYSA-N 0 3 329.444 4.159 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(C)[C@@H](C)c1ccccc1C)c1ccccc1 ZINC000877987254 1055169417 /nfs/dbraw/zinc/16/94/17/1055169417.db2.gz CJHHKEKLIHNBPN-AVRDEDQJSA-N 0 3 334.463 4.429 20 30 EIEDHN CCS[C@@H]1CCCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878098685 1055186939 /nfs/dbraw/zinc/18/69/39/1055186939.db2.gz ZVINPORAKGYRIH-WOJBJXKFSA-N 0 3 344.524 4.035 20 30 EIEDHN CCS[C@@H]1CC[C@@H](N(C)CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878151406 1055196392 /nfs/dbraw/zinc/19/63/92/1055196392.db2.gz QHCJYSNRFIZWDF-VAMGGRTRSA-N 0 3 344.524 4.033 20 30 EIEDHN N#Cc1csc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000091069127 1055515386 /nfs/dbraw/zinc/51/53/86/1055515386.db2.gz CUILOTRITDZFNM-CVEARBPZSA-N 0 3 336.819 4.032 20 30 EIEDHN N#Cc1ccc(NC[C@H](c2ccco2)N2CCCC2)c(C(F)(F)F)c1 ZINC000301163286 1055902497 /nfs/dbraw/zinc/90/24/97/1055902497.db2.gz GSHIQMJTVGCSNF-MRXNPFEDSA-N 0 3 349.356 4.419 20 30 EIEDHN CN(C)[C@H](CNc1cc(C#N)ccc1C(F)(F)F)c1cccs1 ZINC000301714354 1055973285 /nfs/dbraw/zinc/97/32/85/1055973285.db2.gz JFHBGVYQUNVIIX-CQSZACIVSA-N 0 3 339.386 4.353 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000302135766 1056021412 /nfs/dbraw/zinc/02/14/12/1056021412.db2.gz ZYYSKDHKJXYLRW-IERDGZPVSA-N 0 3 347.462 4.083 20 30 EIEDHN Cc1cccc([C@@H](NCC(=O)Nc2ccc(C#N)cc2)C(C)(C)C)c1 ZINC001168656914 1056373213 /nfs/dbraw/zinc/37/32/13/1056373213.db2.gz IYCWWWWUYOCUCK-HXUWFJFHSA-N 0 3 335.451 4.182 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000304224033 1056393656 /nfs/dbraw/zinc/39/36/56/1056393656.db2.gz FVQWDLLPWFFFKD-YCRPNKLZSA-N 0 3 338.426 4.204 20 30 EIEDHN N#Cc1ccc(F)c(CN(Cc2ccccc2)CC2CCOCC2)c1 ZINC000111261340 1056778781 /nfs/dbraw/zinc/77/87/81/1056778781.db2.gz RABRLUQRVVDERX-UHFFFAOYSA-N 0 3 338.426 4.126 20 30 EIEDHN Cc1ccc(CN2CCSCC2)cc1NCc1csc(C#N)c1 ZINC000921888344 1056811307 /nfs/dbraw/zinc/81/13/07/1056811307.db2.gz QUZFGWKUTWBEPD-UHFFFAOYSA-N 0 3 343.521 4.089 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H](C)c2ccco2)cc1 ZINC000744033337 1059237027 /nfs/dbraw/zinc/23/70/27/1059237027.db2.gz PIBWNIAXRSCJRY-VBQJREDUSA-N 0 3 338.407 4.244 20 30 EIEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)c2nc3cc(F)ccc3s2)o1 ZINC000744117535 1059272467 /nfs/dbraw/zinc/27/24/67/1059272467.db2.gz XLNRSICRWXKAMH-ZYHUDNBSSA-N 0 3 328.368 4.317 20 30 EIEDHN C#CCOc1ccc(CNCc2cccc(-c3cccnc3)c2)cc1 ZINC000766457283 1060364379 /nfs/dbraw/zinc/36/43/79/1060364379.db2.gz IMMRSOPAJVYQSZ-UHFFFAOYSA-N 0 3 328.415 4.050 20 30 EIEDHN C=C(CC)CN[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001169270662 1060754800 /nfs/dbraw/zinc/75/48/00/1060754800.db2.gz JCJRJRUCRXASPV-SJLPKXTDSA-N 0 3 338.854 4.085 20 30 EIEDHN C=C(C)[C@H](NC[C@H]1Cc2cc(OC)ccc2O1)c1ccc(F)c(F)c1 ZINC001169472533 1060833340 /nfs/dbraw/zinc/83/33/40/1060833340.db2.gz HSZLYVQTAGYLST-UZLBHIALSA-N 0 3 345.389 4.184 20 30 EIEDHN C#CCCCN[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000766727916 1060841540 /nfs/dbraw/zinc/84/15/40/1060841540.db2.gz JIOXTKYYEQCCNB-FQEVSTJZSA-N 0 3 341.838 4.204 20 30 EIEDHN N#CC12CCC(Nc3ccc(F)c(CN4CCCC4)c3)(CC1)CC2 ZINC001169751652 1060928087 /nfs/dbraw/zinc/92/80/87/1060928087.db2.gz FSMHIWSLHPCZSY-UHFFFAOYSA-N 0 3 327.447 4.450 20 30 EIEDHN COc1cc(C#N)ccc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000766895725 1061055371 /nfs/dbraw/zinc/05/53/71/1061055371.db2.gz RGRZZSITHBMPRS-UHFFFAOYSA-N 0 3 337.467 4.043 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000078533525 217070055 /nfs/dbraw/zinc/07/00/55/217070055.db2.gz KNIROQJSFZPEJE-HXUWFJFHSA-N 0 3 343.515 4.114 20 30 EIEDHN CCCO[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177152999 1032488235 /nfs/dbraw/zinc/48/82/35/1032488235.db2.gz GZMNAFQMQDPPJZ-GOSISDBHSA-N 0 3 339.401 4.338 20 30 EIEDHN CCN(CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCCC1 ZINC000302817815 1032512403 /nfs/dbraw/zinc/51/24/03/1032512403.db2.gz SDWBDLDXFGKUGJ-UHFFFAOYSA-N 0 3 337.467 4.392 20 30 EIEDHN CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)C(C)C ZINC000533256567 1032568788 /nfs/dbraw/zinc/56/87/88/1032568788.db2.gz SDRYIXQZKZJBOC-HOTGVXAUSA-N 0 3 347.528 4.243 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC[C@H](C)c2ccccc2)cc1 ZINC000160166562 1018756082 /nfs/dbraw/zinc/75/60/82/1018756082.db2.gz RZWGJFMCBZOOFY-OXJNMPFZSA-N 0 3 348.446 4.480 20 30 EIEDHN CC(C)COc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000236701517 1032825992 /nfs/dbraw/zinc/82/59/92/1032825992.db2.gz MQLIEXQWBCSXLJ-QGZVFWFLSA-N 0 3 338.451 4.302 20 30 EIEDHN C=CCSc1ccccc1NC(=O)CN(C1CC1)C1CCCC1 ZINC000064808633 1019375396 /nfs/dbraw/zinc/37/53/96/1019375396.db2.gz KJOOHJWUYIQNHH-UHFFFAOYSA-N 0 3 330.497 4.310 20 30 EIEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000237208794 1032851813 /nfs/dbraw/zinc/85/18/13/1032851813.db2.gz VUAHMKMJQICJCA-LJQANCHMSA-N 0 3 337.492 4.363 20 30 EIEDHN C=CC[C@H](C)N[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000116907902 1020192939 /nfs/dbraw/zinc/19/29/39/1020192939.db2.gz JKBFSHXRNDIPCQ-OXJNMPFZSA-N 0 3 338.451 4.238 20 30 EIEDHN C[C@H](NCc1cc(C#N)cs1)[C@H](O)c1c(Cl)cccc1Cl ZINC000748099567 1020343836 /nfs/dbraw/zinc/34/38/36/1020343836.db2.gz ZAVGQMMMDOYYHK-VFZGTOFNSA-N 0 3 341.263 4.138 20 30 EIEDHN C=C(C)CN(CCCc1ccccc1Cl)Cc1ccc(CO)o1 ZINC000512487120 1032894745 /nfs/dbraw/zinc/89/47/45/1032894745.db2.gz QOEYMERGZREYDE-UHFFFAOYSA-N 0 3 333.859 4.436 20 30 EIEDHN FC(F)(F)Oc1ccc(C#CCN2CC[C@H](c3ccccc3)C2)cc1 ZINC001167206174 1020550185 /nfs/dbraw/zinc/55/01/85/1020550185.db2.gz MJGPZSJIDPPTQS-SFHVURJKSA-N 0 3 345.364 4.426 20 30 EIEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1cc2ccccc2o1 ZINC000177564020 1020986283 /nfs/dbraw/zinc/98/62/83/1020986283.db2.gz IXYZGUKJXYGFGV-LBPRGKRZSA-N 0 3 339.420 4.045 20 30 EIEDHN C=CC[C@@H](CC)N[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000500823949 1032956712 /nfs/dbraw/zinc/95/67/12/1032956712.db2.gz ANZMZYUDSHTHEF-YLJYHZDGSA-N 0 3 338.451 4.319 20 30 EIEDHN CCCN1CCc2c(N)sc(Nc3cc(Cl)cc(C#N)c3)c2C1 ZINC001210538019 1021199524 /nfs/dbraw/zinc/19/95/24/1021199524.db2.gz PJKCVFOUIYSIPU-UHFFFAOYSA-N 0 3 346.887 4.367 20 30 EIEDHN N#Cc1ccc(CN(Cc2c[nH]nc2-c2ccc(F)cc2)C2CC2)cc1 ZINC000180029837 1021377327 /nfs/dbraw/zinc/37/73/27/1021377327.db2.gz YBJOJRZPHOPYAL-UHFFFAOYSA-N 0 3 346.409 4.252 20 30 EIEDHN N#Cc1csc(CNCc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000177693045 1021526471 /nfs/dbraw/zinc/52/64/71/1021526471.db2.gz IKNMZXSOKKFLDL-UHFFFAOYSA-N 0 3 344.443 4.248 20 30 EIEDHN CC(C)[C@H](NCCCC(C)(C)C#N)c1nc(-c2ccccc2)no1 ZINC000376149501 1021595852 /nfs/dbraw/zinc/59/58/52/1021595852.db2.gz IYLJEEYCMPYIOP-INIZCTEOSA-N 0 3 326.444 4.353 20 30 EIEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1cc2ccccc2s1 ZINC000581062660 1021832207 /nfs/dbraw/zinc/83/22/07/1021832207.db2.gz KPUNZFYZRSDOKY-ZDUSSCGKSA-N 0 3 332.432 4.271 20 30 EIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(-c3ccncc3)cc1)CC2 ZINC000581280560 1021840766 /nfs/dbraw/zinc/84/07/66/1021840766.db2.gz TYOLJNUUBUWYAA-JOCHJYFZSA-N 0 3 325.415 4.397 20 30 EIEDHN C=CC1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC001167405760 1022063177 /nfs/dbraw/zinc/06/31/77/1022063177.db2.gz JXPOTYJANLAYFK-UHFFFAOYSA-N 0 3 331.257 4.395 20 30 EIEDHN N#Cc1cccc(CN[C@H]2CCCc3c(Br)cccc32)c1 ZINC000341199347 1022314358 /nfs/dbraw/zinc/31/43/58/1022314358.db2.gz UWTLSFHQODXSTH-SFHVURJKSA-N 0 3 341.252 4.488 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(OC3CCCC3)cc2)n1 ZINC000041515615 1022536260 /nfs/dbraw/zinc/53/62/60/1022536260.db2.gz NUCJOTPGIOIJQM-INIZCTEOSA-N 0 3 326.421 4.263 20 30 EIEDHN N#Cc1ccccc1-c1ccc(CNCc2cccc3nccn32)cc1 ZINC000180335248 1022561014 /nfs/dbraw/zinc/56/10/14/1022561014.db2.gz DUFMYPCFKOVZNU-UHFFFAOYSA-N 0 3 338.414 4.163 20 30 EIEDHN CCC[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000193042068 1022687063 /nfs/dbraw/zinc/68/70/63/1022687063.db2.gz FDLDKYHNLVHSQR-HXUWFJFHSA-N 0 3 335.451 4.064 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)CCOC3)s1 ZINC000659115356 1022845616 /nfs/dbraw/zinc/84/56/16/1022845616.db2.gz WKVYJARASNDEJI-HNNXBMFYSA-N 0 3 340.448 4.003 20 30 EIEDHN CN(CCC#N)c1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000175987904 1022896815 /nfs/dbraw/zinc/89/68/15/1022896815.db2.gz LOBDXSHJHIGUGA-UHFFFAOYSA-N 0 3 343.421 4.340 20 30 EIEDHN N#CCOc1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000177855614 1023040885 /nfs/dbraw/zinc/04/08/85/1023040885.db2.gz VXSDLROXKNWDJQ-QGZVFWFLSA-N 0 3 328.412 4.055 20 30 EIEDHN CC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)c1ccc(C)cc1 ZINC000126482956 1023053040 /nfs/dbraw/zinc/05/30/40/1023053040.db2.gz NSJWVKMLISSURF-KRWDZBQOSA-N 0 3 341.480 4.224 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)c(OC(F)F)c1 ZINC000581487001 1023300964 /nfs/dbraw/zinc/30/09/64/1023300964.db2.gz NMLMHQFDCGNKME-QWHCGFSZSA-N 0 3 348.315 4.370 20 30 EIEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000660339460 1023510206 /nfs/dbraw/zinc/51/02/06/1023510206.db2.gz QHBRDGJOKRZTEK-KSZLIROESA-N 0 3 347.528 4.024 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(OCC(F)F)cc1 ZINC000418148949 1023565673 /nfs/dbraw/zinc/56/56/73/1023565673.db2.gz UOYWMFHQPLTCJL-IBGZPJMESA-N 0 3 342.389 4.369 20 30 EIEDHN CCc1nc(C)c([C@@H](C)N(C)CCCOc2cccc(C#N)c2)s1 ZINC000477307353 1023574487 /nfs/dbraw/zinc/57/44/87/1023574487.db2.gz WVDAZZDJFZWHBZ-OAHLLOKOSA-N 0 3 343.496 4.348 20 30 EIEDHN N#CCC[C@@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000759864958 1023753795 /nfs/dbraw/zinc/75/37/95/1023753795.db2.gz JWOZNMUVBMAQIG-MSOLQXFVSA-N 0 3 332.806 4.147 20 30 EIEDHN C=C(C)CN(CCc1nsc2ccccc12)Cc1ccc(CO)o1 ZINC000660538263 1023896960 /nfs/dbraw/zinc/89/69/60/1023896960.db2.gz OFVLLNGNOOBUSX-UHFFFAOYSA-N 0 3 342.464 4.002 20 30 EIEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(C)cc1 ZINC000181705902 1024011479 /nfs/dbraw/zinc/01/14/79/1024011479.db2.gz QKYCCDMABOPXBI-KBXCAEBGSA-N 0 3 339.439 4.144 20 30 EIEDHN C=CCc1cc(CN[C@H]2CCCc3ccc(F)cc32)cc(OC)c1O ZINC000093116541 1024166615 /nfs/dbraw/zinc/16/66/15/1024166615.db2.gz USQDMVSGBBZPPD-IBGZPJMESA-N 0 3 341.426 4.436 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(Br)cc1 ZINC000341761629 1024628634 /nfs/dbraw/zinc/62/86/34/1024628634.db2.gz RNLKBMFODFRJJP-GOSISDBHSA-N 0 3 341.252 4.488 20 30 EIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc([S@](C)=O)cc1 ZINC000341889362 1024899895 /nfs/dbraw/zinc/89/98/95/1024899895.db2.gz RGDKTNLTCXSNPM-QRUVEDRTSA-N 0 3 338.476 4.024 20 30 EIEDHN N#Cc1ccc(CN2CCC(CCc3ccc(O)cc3)CC2)s1 ZINC000535782980 1024940588 /nfs/dbraw/zinc/94/05/88/1024940588.db2.gz HGZCABLWUHQFQG-UHFFFAOYSA-N 0 3 326.465 4.170 20 30 EIEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000341892971 1024959926 /nfs/dbraw/zinc/95/99/26/1024959926.db2.gz XIJUGJHZXSWJKH-YJBOKZPZSA-N 0 3 349.906 4.025 20 30 EIEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000341892969 1024960516 /nfs/dbraw/zinc/96/05/16/1024960516.db2.gz XIJUGJHZXSWJKH-MAUKXSAKSA-N 0 3 349.906 4.025 20 30 EIEDHN Cc1oc(NC(=O)CN[C@@H](C)c2cccc3ccccc32)c(C#N)c1C ZINC000120371028 1025061589 /nfs/dbraw/zinc/06/15/89/1025061589.db2.gz NZUWXTDUICPDSK-AWEZNQCLSA-N 0 3 347.418 4.211 20 30 EIEDHN C[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)[C@@H](c2ccco2)C1 ZINC000247710329 1025159021 /nfs/dbraw/zinc/15/90/21/1025159021.db2.gz ZYIPPDSSVYBYGI-UKRRQHHQSA-N 0 3 343.452 4.015 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000187721239 1025843537 /nfs/dbraw/zinc/84/35/37/1025843537.db2.gz GKOXGXKDCULORC-CJNGLKHVSA-N 0 3 348.372 4.172 20 30 EIEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(C(F)(F)F)cc1 ZINC000551555373 1026217712 /nfs/dbraw/zinc/21/77/12/1026217712.db2.gz WLSCCWLCDOAQKX-LBPRGKRZSA-N 0 3 344.340 4.076 20 30 EIEDHN C=C(C)CN(CCCc1ccc(Cl)cc1)Cc1ccc(CO)o1 ZINC000512197063 1026406568 /nfs/dbraw/zinc/40/65/68/1026406568.db2.gz RHENZVNIWDVMPU-UHFFFAOYSA-N 0 3 333.859 4.436 20 30 EIEDHN C=CCOc1ccccc1CN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000119732230 1026409817 /nfs/dbraw/zinc/40/98/17/1026409817.db2.gz AHGHJSFWRHNBRN-KRWDZBQOSA-N 0 3 333.435 4.288 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2c(s1)CCCCC2 ZINC000122243341 1026424460 /nfs/dbraw/zinc/42/44/60/1026424460.db2.gz JKFCWDXZKHXFCC-CQSZACIVSA-N 0 3 349.459 4.394 20 30 EIEDHN C=CCc1cc(CN(CC)Cc2ccc(OC)cc2)cc(OC)c1O ZINC000506995380 1026581903 /nfs/dbraw/zinc/58/19/03/1026581903.db2.gz QVRQKFHHCGTENJ-UHFFFAOYSA-N 0 3 341.451 4.160 20 30 EIEDHN N#Cc1cc(F)c(NC[C@@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000500502107 1026804238 /nfs/dbraw/zinc/80/42/38/1026804238.db2.gz JDUVJOHWFWISLM-SFHVURJKSA-N 0 3 327.378 4.085 20 30 EIEDHN C=CCOc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)cc1OC ZINC000668628827 1026863194 /nfs/dbraw/zinc/86/31/94/1026863194.db2.gz GMWBQOXXOKDRFJ-IBGZPJMESA-N 0 3 345.483 4.041 20 30 EIEDHN N#CC(C(=O)c1csc(Cl)c1)c1ccc(C(F)(F)F)cn1 ZINC000342707995 1026870655 /nfs/dbraw/zinc/87/06/55/1026870655.db2.gz YBFYGIITSSXCNL-VIFPVBQESA-N 0 3 330.718 4.305 20 30 EIEDHN C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(C)(C)C ZINC000543862011 1026908995 /nfs/dbraw/zinc/90/89/95/1026908995.db2.gz CGHDXHUUBOYMPC-HOTGVXAUSA-N 0 3 349.478 4.179 20 30 EIEDHN CC(C)c1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000121893980 1027172907 /nfs/dbraw/zinc/17/29/07/1027172907.db2.gz NMUMGZUUYYULQZ-CYBMUJFWSA-N 0 3 333.313 4.109 20 30 EIEDHN COC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000925097866 1027292234 /nfs/dbraw/zinc/29/22/34/1027292234.db2.gz RDIGHSPLKNKQMQ-SWLSCSKDSA-N 0 3 328.378 4.311 20 30 EIEDHN COc1ccccc1C[C@@H](NCc1cccc(F)c1C#N)C(C)C ZINC000428350865 1027434087 /nfs/dbraw/zinc/43/40/87/1027434087.db2.gz ZIEZLOPAMITGBH-LJQANCHMSA-N 0 3 326.415 4.063 20 30 EIEDHN CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1C(C)C ZINC000330391360 1027849819 /nfs/dbraw/zinc/84/98/19/1027849819.db2.gz HQMIKVXERLHWGG-ZIAGYGMSSA-N 0 3 347.503 4.074 20 30 EIEDHN CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1C(C)C ZINC000330398962 1027851112 /nfs/dbraw/zinc/85/11/12/1027851112.db2.gz RBNDZUVVMOCARE-KGLIPLIRSA-N 0 3 347.503 4.074 20 30 EIEDHN CC(C)(C#N)CCCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000444651736 1027918698 /nfs/dbraw/zinc/91/86/98/1027918698.db2.gz RVVZSOVAKMMHBC-KRWDZBQOSA-N 0 3 330.447 4.440 20 30 EIEDHN CC(C)(C#N)CCCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000444651737 1027920725 /nfs/dbraw/zinc/92/07/25/1027920725.db2.gz RVVZSOVAKMMHBC-QGZVFWFLSA-N 0 3 330.447 4.440 20 30 EIEDHN CC1CCC(N(Cc2cc(C#N)ccc2F)C[C@@H]2CCCO2)CC1 ZINC000441463992 1028099301 /nfs/dbraw/zinc/09/93/01/1028099301.db2.gz HBAKPISZMJUSBA-PPSBMQLTSA-N 0 3 330.447 4.257 20 30 EIEDHN CCN1CCCC[C@@H]1CNC(=O)c1c(C)onc1-c1ccccc1C ZINC000330097357 1028201500 /nfs/dbraw/zinc/20/15/00/1028201500.db2.gz YHUUIEMOBNEMIV-MRXNPFEDSA-N 0 3 341.455 4.137 20 30 EIEDHN Cc1cc(C)c(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)c(Cl)c1 ZINC000330253438 1028237737 /nfs/dbraw/zinc/23/77/37/1028237737.db2.gz IWJFXQAITCMOHF-XGWLTEMNSA-N 0 3 336.863 4.090 20 30 EIEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(C#N)ccc1Br ZINC001307481216 1028484585 /nfs/dbraw/zinc/48/45/85/1028484585.db2.gz ZZHDXJPKZMSEJS-MRRJBJDNSA-N 0 3 333.273 4.474 20 30 EIEDHN CCc1nn(C)cc1CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611764645 1028493655 /nfs/dbraw/zinc/49/36/55/1028493655.db2.gz SEIJKBUKWBDDFP-INIZCTEOSA-N 0 3 344.462 4.372 20 30 EIEDHN Cc1ccc([C@@H](NCCCC2(C#N)CCOCC2)c2ccccn2)cc1 ZINC000281446799 1028622556 /nfs/dbraw/zinc/62/25/56/1028622556.db2.gz UIMCWVBWYCAKHG-OAQYLSRUSA-N 0 3 349.478 4.170 20 30 EIEDHN Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000583499458 1028821050 /nfs/dbraw/zinc/82/10/50/1028821050.db2.gz IIMABIUCGBPNLV-AWEZNQCLSA-N 0 3 348.475 4.430 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCCCC[C@@H]2c2ccncc2)cc1 ZINC000157011263 1028893209 /nfs/dbraw/zinc/89/32/09/1028893209.db2.gz CXLZJIOYZNMLGL-DYESRHJHSA-N 0 3 335.451 4.490 20 30 EIEDHN C=C(C)CCC(=O)N(CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001125682555 1028893842 /nfs/dbraw/zinc/89/38/42/1028893842.db2.gz OVVUDEDUPVSEDI-FQEVSTJZSA-N 0 3 328.500 4.246 20 30 EIEDHN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000245954223 1028961663 /nfs/dbraw/zinc/96/16/63/1028961663.db2.gz LNEJWKGGTOUQTH-JLSDUUJJSA-N 0 3 338.455 4.159 20 30 EIEDHN Cc1ccc([C@@H](CNc2cc(Cl)ccc2C#N)N2CCCC2)o1 ZINC000522935066 1029108895 /nfs/dbraw/zinc/10/88/95/1029108895.db2.gz YGPWBHOSMPAKBY-QGZVFWFLSA-N 0 3 329.831 4.362 20 30 EIEDHN CC(C)N(CC(=O)c1cn(CCC#N)c2ccccc12)CC1CCC1 ZINC000193211214 1029589048 /nfs/dbraw/zinc/58/90/48/1029589048.db2.gz CAMJPEQVPNYOCC-UHFFFAOYSA-N 0 3 337.467 4.248 20 30 EIEDHN CC[C@@H](NCc1cccc(OCC(F)F)c1)c1ccc(C#N)cc1 ZINC000278725337 1029741293 /nfs/dbraw/zinc/74/12/93/1029741293.db2.gz MJGKCKFEGNYKPT-GOSISDBHSA-N 0 3 330.378 4.443 20 30 EIEDHN CC(C)(C)OC(=O)c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000584439699 1029870084 /nfs/dbraw/zinc/87/00/84/1029870084.db2.gz JCGLRRSEPCEVST-FQEVSTJZSA-N 0 3 348.446 4.291 20 30 EIEDHN CC[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000447544425 1030147769 /nfs/dbraw/zinc/14/77/69/1030147769.db2.gz OLIQEIGGCWOURV-QGZVFWFLSA-N 0 3 342.826 4.224 20 30 EIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCOc2ccccc21 ZINC000685443129 1030317884 /nfs/dbraw/zinc/31/78/84/1030317884.db2.gz IHCIRQPPAYBXFQ-IBGZPJMESA-N 0 3 339.483 4.408 20 30 EIEDHN C=CCOc1ccc(CN2CCC(c3cccnc3)CC2)cc1OC ZINC000685456396 1030334599 /nfs/dbraw/zinc/33/45/99/1030334599.db2.gz RKWCFKUMVJVOEN-UHFFFAOYSA-N 0 3 338.451 4.035 20 30 EIEDHN COc1cc(Br)ccc1[C@@H](C)NCCC(C)(C)C#N ZINC000527299063 1030620939 /nfs/dbraw/zinc/62/09/39/1030620939.db2.gz FYBCOAGZMANZQN-LLVKDONJSA-N 0 3 325.250 4.048 20 30 EIEDHN C=CCOc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1OC ZINC000191663205 1030634555 /nfs/dbraw/zinc/63/45/55/1030634555.db2.gz DHOSZZZWDBXAJH-SFHVURJKSA-N 0 3 339.435 4.133 20 30 EIEDHN N#Cc1ccc(C2(NCc3cccc(Cl)c3)CCOCC2)cc1 ZINC000527809819 1030856834 /nfs/dbraw/zinc/85/68/34/1030856834.db2.gz GUTYJUKEFZINHY-UHFFFAOYSA-N 0 3 326.827 4.007 20 30 EIEDHN N#CC(C(=O)c1ccc(OCC2CC2)cc1)c1nc(C2CC2)cs1 ZINC000647377484 1030900320 /nfs/dbraw/zinc/90/03/20/1030900320.db2.gz NOLMBHSZGOGJPE-MRXNPFEDSA-N 0 3 338.432 4.299 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](c2cccs2)N(C)C)c([O-])c1 ZINC000255766684 1031092346 /nfs/dbraw/zinc/09/23/46/1031092346.db2.gz FJQGLHRBCSUCMQ-IZQLPPHKSA-N 0 3 345.512 4.022 20 30 EIEDHN CCCCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000041520212 1031499765 /nfs/dbraw/zinc/49/97/65/1031499765.db2.gz NURRUIWSKPSQCV-AWEZNQCLSA-N 0 3 344.436 4.129 20 30 EIEDHN C[C@@H](c1ccccc1Cl)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000472438114 1031628904 /nfs/dbraw/zinc/62/89/04/1031628904.db2.gz FNBACXFKQXSOII-INIZCTEOSA-N 0 3 333.907 4.349 20 30 EIEDHN COc1cc(CN2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)ccc1C#N ZINC000449364875 1031660512 /nfs/dbraw/zinc/66/05/12/1031660512.db2.gz RTMDGZDGKJGLJY-YWPYICTPSA-N 0 3 326.362 4.118 20 30 EIEDHN C[C@H](N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000453274170 1031820840 /nfs/dbraw/zinc/82/08/40/1031820840.db2.gz CPMQLHRPSUCDNU-SCLBCKFNSA-N 0 3 348.368 4.351 20 30 EIEDHN COCC[C@@H](NCc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000449552619 1031841617 /nfs/dbraw/zinc/84/16/17/1031841617.db2.gz JNERIQLHQNNWOW-GOSISDBHSA-N 0 3 348.368 4.444 20 30 EIEDHN CC(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000453388821 1031898684 /nfs/dbraw/zinc/89/86/84/1031898684.db2.gz RBCXZAZGYCMXJQ-GOSISDBHSA-N 0 3 339.370 4.031 20 30 EIEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573413347 1033345138 /nfs/dbraw/zinc/34/51/38/1033345138.db2.gz VOQKNELQJCILPH-CJNGLKHVSA-N 0 3 340.389 4.093 20 30 EIEDHN C[C@H](c1ccccc1)N(C)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433023289 1033681264 /nfs/dbraw/zinc/68/12/64/1033681264.db2.gz OMLLHCSLZZEXHZ-WIYYLYMNSA-N 0 3 349.478 4.231 20 30 EIEDHN C=CCc1cc(CNCc2ccc3[nH]c(C)cc3c2)cc(OC)c1O ZINC000513087708 1034520758 /nfs/dbraw/zinc/52/07/58/1034520758.db2.gz CKGJOFLSGZRFTO-UHFFFAOYSA-N 0 3 336.435 4.209 20 30 EIEDHN N#CCC1(CNCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000430032810 1035312080 /nfs/dbraw/zinc/31/20/80/1035312080.db2.gz DIPQDNCGMKTTAY-UHFFFAOYSA-N 0 3 347.178 4.251 20 30 EIEDHN C=CCOc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000513713926 1035440517 /nfs/dbraw/zinc/44/05/17/1035440517.db2.gz VQINPQSZOTXKSU-UHFFFAOYSA-N 0 3 348.446 4.166 20 30 EIEDHN Cc1cc(Cl)ccc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000594982225 1035512774 /nfs/dbraw/zinc/51/27/74/1035512774.db2.gz ARJJIWVPXAVOMT-UHFFFAOYSA-N 0 3 340.854 4.316 20 30 EIEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cncc(Br)c1 ZINC000595042194 1035563975 /nfs/dbraw/zinc/56/39/75/1035563975.db2.gz JUEDARPLSDNYGZ-GTNSWQLSSA-N 0 3 342.240 4.054 20 30 EIEDHN CC[C@H](NCCc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000595431773 1035678951 /nfs/dbraw/zinc/67/89/51/1035678951.db2.gz OWVSMSDWPARCKV-ZDUSSCGKSA-N 0 3 339.386 4.317 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN[C@H]3CCCC34CCCCC4)o2)c1 ZINC000595606227 1035743984 /nfs/dbraw/zinc/74/39/84/1035743984.db2.gz VLJSYGFCEMMBJR-KRWDZBQOSA-N 0 3 336.439 4.201 20 30 EIEDHN CC(C)[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1F ZINC000595690856 1035764159 /nfs/dbraw/zinc/76/41/59/1035764159.db2.gz IKFGXRVFIXGBSG-QGZVFWFLSA-N 0 3 345.443 4.074 20 30 EIEDHN CSc1cccc(CNC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595767398 1035779213 /nfs/dbraw/zinc/77/92/13/1035779213.db2.gz AJFNZYZDFWDCMR-UHFFFAOYSA-N 0 3 338.476 4.076 20 30 EIEDHN CC[C@@H](c1ccccc1)N(CC(=O)Nc1sccc1C#N)C(C)C ZINC000595849716 1035798221 /nfs/dbraw/zinc/79/82/21/1035798221.db2.gz DFIVNMBFPSIHNC-KRWDZBQOSA-N 0 3 341.480 4.420 20 30 EIEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1F ZINC000586796671 1035849613 /nfs/dbraw/zinc/84/96/13/1035849613.db2.gz SOGGSCGOTMFGJU-GMXVVIOVSA-N 0 3 325.225 4.321 20 30 EIEDHN N#CC1(c2ccc(CN3CCCN(c4ccccc4F)CC3)cc2)CC1 ZINC000597127938 1036112042 /nfs/dbraw/zinc/11/20/42/1036112042.db2.gz SDWBOZVSFBYOTF-UHFFFAOYSA-N 0 3 349.453 4.093 20 30 EIEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COc1ccccc1C(C)C ZINC000502500169 1036265277 /nfs/dbraw/zinc/26/52/77/1036265277.db2.gz UJXZOPVWYIBVQX-HXUWFJFHSA-N 0 3 339.479 4.238 20 30 EIEDHN Cc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C#N)s2)c(Cl)c1 ZINC000421349334 1036292305 /nfs/dbraw/zinc/29/23/05/1036292305.db2.gz IKHXEEJTRAWDOU-GFCCVEGCSA-N 0 3 347.871 4.089 20 30 EIEDHN N#CC1CCC(NCc2csc(CCc3ccccc3)n2)CC1 ZINC000602586367 1036512460 /nfs/dbraw/zinc/51/24/60/1036512460.db2.gz ARSKYCRKGAUWEH-UHFFFAOYSA-N 0 3 325.481 4.100 20 30 EIEDHN Cn1c2ccccc2nc1[C@H](NC1CCC(C#N)CC1)c1ccccc1 ZINC000602585680 1036514583 /nfs/dbraw/zinc/51/45/83/1036514583.db2.gz HXYMLVSATXAXBK-QYGXFBIXSA-N 0 3 344.462 4.335 20 30 EIEDHN N#CCC1(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000602805718 1036629346 /nfs/dbraw/zinc/62/93/46/1036629346.db2.gz OXMPQMKUKKUPRH-SFHVURJKSA-N 0 3 325.843 4.302 20 30 EIEDHN CC(C)Oc1cccc(CN2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC000602909810 1036663155 /nfs/dbraw/zinc/66/31/55/1036663155.db2.gz OYWXNMGRLGRMTF-UHFFFAOYSA-N 0 3 335.451 4.120 20 30 EIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccsc1 ZINC000129671857 1036670319 /nfs/dbraw/zinc/67/03/19/1036670319.db2.gz KRPRFEHZRXCIKP-SNVBAGLBSA-N 0 3 339.203 4.016 20 30 EIEDHN COc1cc([C@H](C)NCc2cccc(C#N)c2)ccc1OC(F)F ZINC000192950375 1036720175 /nfs/dbraw/zinc/72/01/75/1036720175.db2.gz YZTUOUMKIAAEMS-LBPRGKRZSA-N 0 3 332.350 4.019 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000598703384 1036750346 /nfs/dbraw/zinc/75/03/46/1036750346.db2.gz HDCQHIBUSKUYRY-MOPGFXCFSA-N 0 3 342.870 4.320 20 30 EIEDHN CC(C)CSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000045518338 1036816072 /nfs/dbraw/zinc/81/60/72/1036816072.db2.gz QZFOJUKCCBMJHZ-AWEZNQCLSA-N 0 3 330.478 4.376 20 30 EIEDHN Cc1nccn1-c1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000183685318 1036930430 /nfs/dbraw/zinc/93/04/30/1036930430.db2.gz IJYQLWCEKIPTBG-AWEZNQCLSA-N 0 3 334.398 4.042 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000590195840 1037008821 /nfs/dbraw/zinc/00/88/21/1037008821.db2.gz QWAOOVNTZZWMPN-HNNXBMFYSA-N 0 3 334.398 4.042 20 30 EIEDHN Cc1oc(NC(=O)CN[C@@H](c2cccc(C)c2)C(C)C)c(C#N)c1C ZINC000599626399 1037101003 /nfs/dbraw/zinc/10/10/03/1037101003.db2.gz FRHDIIZRELNOLY-LJQANCHMSA-N 0 3 339.439 4.002 20 30 EIEDHN N#CCC1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000590960728 1037216594 /nfs/dbraw/zinc/21/65/94/1037216594.db2.gz REOJPQSWINAINH-UHFFFAOYSA-N 0 3 349.482 4.186 20 30 EIEDHN COc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)ccc1OC(F)F ZINC000487869493 1037270896 /nfs/dbraw/zinc/27/08/96/1037270896.db2.gz LIHWDYVXZGZGQI-ZDUSSCGKSA-N 0 3 346.377 4.361 20 30 EIEDHN C=C(C)COc1cc(CNCc2ccc(N(C)C)cc2)ccc1OC ZINC000057959747 1037356041 /nfs/dbraw/zinc/35/60/41/1037356041.db2.gz ZXEMDGMAZPXGLK-UHFFFAOYSA-N 0 3 340.467 4.006 20 30 EIEDHN Cc1cc(CNC2(c3ccc(Br)cc3)CC2)ccc1C#N ZINC000488113469 1037367028 /nfs/dbraw/zinc/36/70/28/1037367028.db2.gz RLZRHOGAPBDAQI-UHFFFAOYSA-N 0 3 341.252 4.408 20 30 EIEDHN CCC(CC)N(CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000604434796 1037391921 /nfs/dbraw/zinc/39/19/21/1037391921.db2.gz KXMHACNWJOZITE-UHFFFAOYSA-N 0 3 341.499 4.203 20 30 EIEDHN C=C(C)COc1cc(CNCc2ccc(CC#N)cc2)ccc1OC ZINC000592371121 1037778436 /nfs/dbraw/zinc/77/84/36/1037778436.db2.gz OCWHFWDOFKYJBT-UHFFFAOYSA-N 0 3 336.435 4.006 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccccc2-c2cccs2)CC1 ZINC000592524206 1037826005 /nfs/dbraw/zinc/82/60/05/1037826005.db2.gz ZKXZGQPXWZGHKS-UHFFFAOYSA-N 0 3 341.480 4.187 20 30 EIEDHN C#CCCOc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000172116975 1037857541 /nfs/dbraw/zinc/85/75/41/1037857541.db2.gz RPJYASUYQOVEHU-YADHBBJMSA-N 0 3 335.447 4.099 20 30 EIEDHN CC[C@H](C)Sc1ccc(NC(=O)[C@H](N)CCCCC#N)c(C)c1 ZINC000594431959 1038332727 /nfs/dbraw/zinc/33/27/27/1038332727.db2.gz TWHVLLYSBILUNY-GOEBONIOSA-N 0 3 333.501 4.235 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000594443399 1038336063 /nfs/dbraw/zinc/33/60/63/1038336063.db2.gz GVKAOWXNRKZWAT-ROUUACIJSA-N 0 3 347.890 4.195 20 30 EIEDHN Cn1cc(CNCc2ccc(C(C)(C)C#N)cc2)c(-c2ccccc2)n1 ZINC000594502132 1038347775 /nfs/dbraw/zinc/34/77/75/1038347775.db2.gz XMGZETZXWLTXNQ-UHFFFAOYSA-N 0 3 344.462 4.178 20 30 EIEDHN COc1ccc2c(c1F)CC[C@@H]2NC1(c2ccc(C#N)cc2)CCC1 ZINC000594519235 1038361568 /nfs/dbraw/zinc/36/15/68/1038361568.db2.gz VUCATZUFISEJCF-SFHVURJKSA-N 0 3 336.410 4.362 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000594532551 1038365988 /nfs/dbraw/zinc/36/59/88/1038365988.db2.gz CUUWGOOZABRUPZ-HNNXBMFYSA-N 0 3 346.434 4.016 20 30 EIEDHN N#CC1(c2ccc(CNCc3ccc(OC4CCCC4)nc3)cc2)CC1 ZINC000594927142 1038429343 /nfs/dbraw/zinc/42/93/43/1038429343.db2.gz YGOKEWPWJZISHF-UHFFFAOYSA-N 0 3 347.462 4.248 20 30 EIEDHN CCCOCc1ccccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594927192 1038431236 /nfs/dbraw/zinc/43/12/36/1038431236.db2.gz ZDAWLXKFNNFECZ-UHFFFAOYSA-N 0 3 334.463 4.458 20 30 EIEDHN Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424111556 1038585605 /nfs/dbraw/zinc/58/56/05/1038585605.db2.gz HOARHRPMRAEECI-QGZVFWFLSA-N 0 3 345.512 4.380 20 30 EIEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000424116829 1038596312 /nfs/dbraw/zinc/59/63/12/1038596312.db2.gz APKILHICJRJLPD-ROUUACIJSA-N 0 3 347.890 4.099 20 30 EIEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000424301269 1038779363 /nfs/dbraw/zinc/77/93/63/1038779363.db2.gz ZOPXSOYRNNFNPL-MDKPJZGXSA-N 0 3 334.419 4.098 20 30 EIEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000424320017 1038802808 /nfs/dbraw/zinc/80/28/08/1038802808.db2.gz FKVHBTORLBOMCN-WDMOLILDSA-N 0 3 325.239 4.489 20 30 EIEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000424328035 1038808489 /nfs/dbraw/zinc/80/84/89/1038808489.db2.gz NSTXFEUSRQUORO-OUAUKWLOSA-N 0 3 346.324 4.232 20 30 EIEDHN COc1cc(C)c([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000554987991 1038812257 /nfs/dbraw/zinc/81/22/57/1038812257.db2.gz HTNFZHFSPMATIV-IFXJQAMLSA-N 0 3 336.435 4.222 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC(F)(F)F)cc1 ZINC000173985243 1038812458 /nfs/dbraw/zinc/81/24/58/1038812458.db2.gz KFQRPVHVSUQHKG-BXUZGUMPSA-N 0 3 340.345 4.190 20 30 EIEDHN C[C@@H](CCc1ccccc1F)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000174015934 1038819407 /nfs/dbraw/zinc/81/94/07/1038819407.db2.gz SXXXLZXRVZQERZ-ZFWWWQNUSA-N 0 3 336.366 4.412 20 30 EIEDHN C[C@H](NCCSCc1ccccc1C#N)c1cc(F)ccc1F ZINC000539070082 1038819738 /nfs/dbraw/zinc/81/97/38/1038819738.db2.gz HCVSYLGPCBMGKN-ZDUSSCGKSA-N 0 3 332.419 4.420 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cccc(F)c2)ccc1OC ZINC000174091554 1038840504 /nfs/dbraw/zinc/84/05/04/1038840504.db2.gz FCFLFALAPBYAAU-KDOFPFPSSA-N 0 3 342.414 4.366 20 30 EIEDHN C[C@H]1CSCCN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537630441 1039167573 /nfs/dbraw/zinc/16/75/73/1039167573.db2.gz WZYOVTRSTPRLFJ-INIZCTEOSA-N 0 3 338.476 4.075 20 30 EIEDHN N#CCCN(CC/C=C/c1ccc(Br)cc1)CC1CC1 ZINC000478023793 1039348181 /nfs/dbraw/zinc/34/81/81/1039348181.db2.gz JONMVZPEGBHXAP-DAFODLJHSA-N 0 3 333.273 4.478 20 30 EIEDHN C=CCOc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000552324078 1039379016 /nfs/dbraw/zinc/37/90/16/1039379016.db2.gz ZTVFETFNAXQXPL-OAHLLOKOSA-N 0 3 326.396 4.319 20 30 EIEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC000481446066 1039438666 /nfs/dbraw/zinc/43/86/66/1039438666.db2.gz RTMXGOMOARRLFJ-SGTLLEGYSA-N 0 3 332.806 4.217 20 30 EIEDHN C=CCOc1ccc(CN2CCC(OC3CCCC3)CC2)cc1OC ZINC000092758835 1039582524 /nfs/dbraw/zinc/58/25/24/1039582524.db2.gz CSXBWYDXIARXBE-UHFFFAOYSA-N 0 3 345.483 4.184 20 30 EIEDHN C[C@@H](NCCc1cccc(C(F)(F)F)n1)c1ccc(C#N)cc1F ZINC000550856487 1039645261 /nfs/dbraw/zinc/64/52/61/1039645261.db2.gz JVJIIUTZVQSUFD-LLVKDONJSA-N 0 3 337.320 4.004 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000237502214 1039692031 /nfs/dbraw/zinc/69/20/31/1039692031.db2.gz VZSVLVSAQHTUSC-SCLBCKFNSA-N 0 3 342.439 4.443 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000093667804 1039728929 /nfs/dbraw/zinc/72/89/29/1039728929.db2.gz QKCRALXISYWRLE-FXAWDEMLSA-N 0 3 348.446 4.215 20 30 EIEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(OCc2ccccc2)c1 ZINC000434797729 1039867468 /nfs/dbraw/zinc/86/74/68/1039867468.db2.gz ZMVAKABMYROBTF-QGZVFWFLSA-N 0 3 345.446 4.327 20 30 EIEDHN FC(F)[C@H]1C[C@@H]1NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000514729448 1040194430 /nfs/dbraw/zinc/19/44/30/1040194430.db2.gz IDMSVEJCHACDMP-UWVGGRQHSA-N 0 3 333.222 4.467 20 30 EIEDHN COc1ccc2ccccc2c1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000515190591 1040530488 /nfs/dbraw/zinc/53/04/88/1040530488.db2.gz JESCZMVHBBUQFT-NRFANRHFSA-N 0 3 328.415 4.497 20 30 EIEDHN C=CCC(F)(F)C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](CC)CCCC ZINC001270001473 1040534685 /nfs/dbraw/zinc/53/46/85/1040534685.db2.gz YOPJXMAYLBZCJP-YESZJQIVSA-N 0 3 342.474 4.089 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)c(C)o2)cc1 ZINC000128765113 1040608789 /nfs/dbraw/zinc/60/87/89/1040608789.db2.gz XAZABECWHZHGJY-PXAZEXFGSA-N 0 3 338.407 4.371 20 30 EIEDHN CC1(C)CN(CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000553993293 1040686410 /nfs/dbraw/zinc/68/64/10/1040686410.db2.gz UBJWKFIIKDIYGC-GOSISDBHSA-N 0 3 339.464 4.031 20 30 EIEDHN N#CC(C(=O)c1ccc2c3c(cccc31)CC2)c1cnc2ccccc2n1 ZINC000483242998 1040780387 /nfs/dbraw/zinc/78/03/87/1040780387.db2.gz LKDRMRDNMJXULZ-SFHVURJKSA-N 0 3 349.393 4.372 20 30 EIEDHN N#Cc1ccc(OCCNCc2ccc(-c3ccccc3F)o2)cc1 ZINC000462769136 1040902491 /nfs/dbraw/zinc/90/24/91/1040902491.db2.gz XCHVYCSAPSBNJG-UHFFFAOYSA-N 0 3 336.366 4.126 20 30 EIEDHN C[C@@H](NCCOc1ccc(Cl)c(F)c1)c1ccc(C#N)cc1F ZINC000483700867 1040968103 /nfs/dbraw/zinc/96/81/03/1040968103.db2.gz LODYJMORKXBCAO-LLVKDONJSA-N 0 3 336.769 4.219 20 30 EIEDHN N#Cc1ccc(CN2CC[C@H](CSc3ccccc3)C2)cc1F ZINC000483956173 1041074527 /nfs/dbraw/zinc/07/45/27/1041074527.db2.gz NTDDLEKWUSJIJD-INIZCTEOSA-N 0 3 326.440 4.312 20 30 EIEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccccc1-n1cccn1 ZINC000538158533 1041100485 /nfs/dbraw/zinc/10/04/85/1041100485.db2.gz DXJIEWWOJQVETD-MRXNPFEDSA-N 0 3 335.838 4.228 20 30 EIEDHN N#CCC[C@H](C#N)CNC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000554452536 1041126865 /nfs/dbraw/zinc/12/68/65/1041126865.db2.gz POGVCVIZZMNSNR-FXAUUADQSA-N 0 3 341.458 4.317 20 30 EIEDHN C=CCSc1ccccc1NC(=O)CN([C@H](C)C1CC1)C1CC1 ZINC000042123410 1041424029 /nfs/dbraw/zinc/42/40/29/1041424029.db2.gz IYXUPRDKXYEJQS-CQSZACIVSA-N 0 3 330.497 4.166 20 30 EIEDHN FC(F)(F)c1ccc(C#CCNCc2ccc3ncccc3c2)cc1 ZINC000538603991 1041438507 /nfs/dbraw/zinc/43/85/07/1041438507.db2.gz GREYXZPSJWRTKG-UHFFFAOYSA-N 0 3 340.348 4.395 20 30 EIEDHN Clc1ccccc1C#CCN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540397170 1041440545 /nfs/dbraw/zinc/44/05/45/1041440545.db2.gz FRRMXNCSVLXNCD-QUCCMNQESA-N 0 3 325.839 4.059 20 30 EIEDHN Cc1ccc(C(=O)C2CCN(Cc3ccc(CC#N)cc3)CC2)c(C)c1 ZINC000541281490 1041882622 /nfs/dbraw/zinc/88/26/22/1041882622.db2.gz GTBWEQOKVOVLRJ-UHFFFAOYSA-N 0 3 346.474 4.464 20 30 EIEDHN Clc1cccc(C#CCN2CC[C@H](COCc3ccccc3)C2)c1 ZINC000438170646 1042069655 /nfs/dbraw/zinc/06/96/55/1042069655.db2.gz QPHDQIAMFFLQKR-FQEVSTJZSA-N 0 3 339.866 4.230 20 30 EIEDHN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271960290 1042565456 /nfs/dbraw/zinc/56/54/56/1042565456.db2.gz QYWIYXFIAFHUOT-KQPNJSLMSA-N 0 3 346.352 4.156 20 30 EIEDHN Clc1ccc(C#CCN2CCC(CCCn3ccnc3)CC2)cc1 ZINC000543061245 1043705574 /nfs/dbraw/zinc/70/55/74/1043705574.db2.gz VRKOYLLCSGGUNO-UHFFFAOYSA-N 0 3 341.886 4.080 20 30 EIEDHN N#CCOc1ccc(CN(Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000731211495 1043713753 /nfs/dbraw/zinc/71/37/53/1043713753.db2.gz LCGOHABCGKHWKS-UHFFFAOYSA-N 0 3 326.827 4.407 20 30 EIEDHN CC1CCC(OC2CCN(Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC000731214231 1043714034 /nfs/dbraw/zinc/71/40/34/1043714034.db2.gz HUJOJWJYWIIPDK-UHFFFAOYSA-N 0 3 342.483 4.149 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)c(Cl)c(C)c2)CC1 ZINC000442500115 1043722330 /nfs/dbraw/zinc/72/23/30/1043722330.db2.gz YPEKDEKYVAEHBT-UHFFFAOYSA-N 0 3 335.879 4.119 20 30 EIEDHN CN(CCOc1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1 ZINC000521424993 1043751990 /nfs/dbraw/zinc/75/19/90/1043751990.db2.gz ASGOOTHTAJTXHJ-UHFFFAOYSA-N 0 3 334.341 4.088 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCC)C2CCCCC2)CC1 ZINC000521584669 1043838653 /nfs/dbraw/zinc/83/86/53/1043838653.db2.gz PSAAKEMZFFAEDO-IBGZPJMESA-N 0 3 335.536 4.075 20 30 EIEDHN CC(C)Oc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(C(F)(F)F)c1 ZINC000442792463 1043842130 /nfs/dbraw/zinc/84/21/30/1043842130.db2.gz QDBCFJDMKPRESS-GXTWGEPZSA-N 0 3 326.362 4.274 20 30 EIEDHN N#C[C@@H]1CC[C@@H](N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)C1 ZINC000442827949 1043851337 /nfs/dbraw/zinc/85/13/37/1043851337.db2.gz QKYNQNKRCVZSIF-SUMDDJOVSA-N 0 3 325.843 4.301 20 30 EIEDHN COc1cccc([C@H]2C[C@@H](C)CN2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442831436 1043859400 /nfs/dbraw/zinc/85/94/00/1043859400.db2.gz ADTLVQUMCFIPRK-FOIQADDNSA-N 0 3 336.435 4.159 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2cc(F)ccc2s1 ZINC000193265668 1044029044 /nfs/dbraw/zinc/02/90/44/1044029044.db2.gz AQPOTKMVXPMXKR-ZDUSSCGKSA-N 0 3 349.390 4.417 20 30 EIEDHN C=CCC(CC=C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000675154489 1044053238 /nfs/dbraw/zinc/05/32/38/1044053238.db2.gz XGKHDXQYIQUCAL-HXUWFJFHSA-N 0 3 326.484 4.098 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3cnccc3c2)c1 ZINC000785468087 1044152885 /nfs/dbraw/zinc/15/28/85/1044152885.db2.gz HIHHQZIMFSKTAY-HXUWFJFHSA-N 0 3 331.419 4.206 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1Br ZINC000174428882 1044271795 /nfs/dbraw/zinc/27/17/95/1044271795.db2.gz URXXTELIRSQJQQ-LBPRGKRZSA-N 0 3 345.240 4.180 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cnc3ccccc3c2)c1 ZINC000733800557 1044315940 /nfs/dbraw/zinc/31/59/40/1044315940.db2.gz ZZTUXVXVEPPDIB-LJQANCHMSA-N 0 3 331.419 4.206 20 30 EIEDHN N#Cc1cccc(CCNCc2csc(-c3ccc(F)cc3)n2)c1 ZINC000466424183 1044448005 /nfs/dbraw/zinc/44/80/05/1044448005.db2.gz GUGPCYJQRGOXGP-UHFFFAOYSA-N 0 3 337.423 4.153 20 30 EIEDHN C=C(C)COc1cc(CN[C@H]2CCc3c2cccc3O)ccc1OC ZINC000105486780 1044682226 /nfs/dbraw/zinc/68/22/26/1044682226.db2.gz OOTLHKAZAKDVMV-SFHVURJKSA-N 0 3 339.435 4.133 20 30 EIEDHN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(C#N)cs1 ZINC000092101145 1044727920 /nfs/dbraw/zinc/72/79/20/1044727920.db2.gz DBUOKHCZPURAIN-UHFFFAOYSA-N 0 3 336.464 4.074 20 30 EIEDHN N#CCOc1ccc(Cl)cc1CN1CCC[C@@H]1Cc1ccccc1 ZINC000735305699 1044790456 /nfs/dbraw/zinc/79/04/56/1044790456.db2.gz CFFIGKJQRIBJGG-LJQANCHMSA-N 0 3 340.854 4.449 20 30 EIEDHN C=CCCC1(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000474206225 1044791249 /nfs/dbraw/zinc/79/12/49/1044791249.db2.gz CDJMIMQCKRKTPE-QGZVFWFLSA-N 0 3 346.540 4.384 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc4c(c3)CCCC4)nc21 ZINC000735790715 1044865742 /nfs/dbraw/zinc/86/57/42/1044865742.db2.gz PEFWIZAYCNYWGQ-GOSISDBHSA-N 0 3 343.430 4.169 20 30 EIEDHN C=CCC1(O)CCN(Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000895835477 1044929373 /nfs/dbraw/zinc/92/93/73/1044929373.db2.gz HFUSERDNVCOSPV-UHFFFAOYSA-N 0 3 328.481 4.022 20 30 EIEDHN CC(C)C[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000542555426 1044964650 /nfs/dbraw/zinc/96/46/50/1044964650.db2.gz RWWOUTDGYIPZEH-PBHICJAKSA-N 0 3 341.480 4.324 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000303381405 1044995161 /nfs/dbraw/zinc/99/51/61/1044995161.db2.gz XNOCWWOPIFIRIY-HXUWFJFHSA-N 0 3 347.547 4.171 20 30 EIEDHN CCOc1ccc(O)c(/C=N/C[C@H](c2ccsc2)N(CC)CC)c1 ZINC000915114123 1045113830 /nfs/dbraw/zinc/11/38/30/1045113830.db2.gz DUCIKURORFXZPP-BAOGCXAUSA-N 0 3 346.496 4.354 20 30 EIEDHN CC(C)C[C@@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000542557621 1045124122 /nfs/dbraw/zinc/12/41/22/1045124122.db2.gz RSHXNNPCPCPCLX-HZPDHXFCSA-N 0 3 347.528 4.156 20 30 EIEDHN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000739930822 1045175836 /nfs/dbraw/zinc/17/58/36/1045175836.db2.gz PALWWVLBPOSAPM-SFHVURJKSA-N 0 3 343.515 4.292 20 30 EIEDHN C=CC[C@@H](N[C@H](CC)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000766020992 1045233133 /nfs/dbraw/zinc/23/31/33/1045233133.db2.gz RZEQHGOLZDPLII-QZTJIDSGSA-N 0 3 326.440 4.457 20 30 EIEDHN CC(C)[C@@H](NCc1ccnc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000611402912 1045301848 /nfs/dbraw/zinc/30/18/48/1045301848.db2.gz CDAQCLWRYHOZLP-QGZVFWFLSA-N 0 3 333.357 4.459 20 30 EIEDHN CC(C)(C)Oc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000611521935 1045320865 /nfs/dbraw/zinc/32/08/65/1045320865.db2.gz QZPRDZUXYSIDAV-LJQANCHMSA-N 0 3 335.451 4.298 20 30 EIEDHN N#CC(C(=O)C=CSCc1ccco1)c1nccc2ccccc21 ZINC000792100353 1045856470 /nfs/dbraw/zinc/85/64/70/1045856470.db2.gz DPACBOCOUNTROB-YRYLYKBFSA-N 0 3 334.400 4.451 20 30 EIEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@@H](C)Cc1ccccc1Cl)C2 ZINC001170285188 1045988909 /nfs/dbraw/zinc/98/89/09/1045988909.db2.gz RCNHXYDYWYUFTJ-QRFRQXIXSA-N 0 3 349.902 4.097 20 30 EIEDHN N#CC1(c2ccccc2)CCC(N2CCC(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC001170379227 1046032938 /nfs/dbraw/zinc/03/29/38/1046032938.db2.gz UOYLZAHUYNHMJX-QHCGNWPDSA-N 0 3 336.479 4.224 20 30 EIEDHN N#CC1(c2ccccc2)CCC(N2CCC(=O)[C@H]3CCCC[C@H]32)CC1 ZINC001170379226 1046033947 /nfs/dbraw/zinc/03/39/47/1046033947.db2.gz UOYLZAHUYNHMJX-LNSLMDJYSA-N 0 3 336.479 4.224 20 30 EIEDHN C=CCOc1ccccc1CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000793615238 1046312320 /nfs/dbraw/zinc/31/23/20/1046312320.db2.gz NNSSSLWZGJVORN-CVEARBPZSA-N 0 3 326.267 4.267 20 30 EIEDHN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000916882446 1046417055 /nfs/dbraw/zinc/41/70/55/1046417055.db2.gz FGHBZYMHCXWYLL-BZUAXINKSA-N 0 3 344.842 4.226 20 30 EIEDHN N#CC(C(=O)CCn1c2ccccc2c2ccccc21)c1ccccn1 ZINC000916880620 1046418202 /nfs/dbraw/zinc/41/82/02/1046418202.db2.gz DIJCJCPZTYMUHP-GOSISDBHSA-N 0 3 339.398 4.456 20 30 EIEDHN CCc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000536649958 1046616858 /nfs/dbraw/zinc/61/68/58/1046616858.db2.gz FMEMDQRBSOMFMQ-UHFFFAOYSA-N 0 3 326.465 4.226 20 30 EIEDHN N#CCSCCCN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459592192 1046802683 /nfs/dbraw/zinc/80/26/83/1046802683.db2.gz MTPUSNNADQKWBP-MRXNPFEDSA-N 0 3 348.903 4.390 20 30 EIEDHN C[C@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786530794 1046844318 /nfs/dbraw/zinc/84/43/18/1046844318.db2.gz JYXDJPRDWKBPLS-CJNGLKHVSA-N 0 3 348.874 4.127 20 30 EIEDHN CN(C)[C@H](C/N=C\c1c(O)ccc2ccccc21)c1ccc(F)cc1 ZINC000917557242 1046995613 /nfs/dbraw/zinc/99/56/13/1046995613.db2.gz CDQBYPMRADIAKM-XBPUZACXSA-N 0 3 336.410 4.406 20 30 EIEDHN C#CCCOc1ccc(CN2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787418620 1047002830 /nfs/dbraw/zinc/00/28/30/1047002830.db2.gz YQTNVKGTXZNYOX-MRXNPFEDSA-N 0 3 325.374 4.252 20 30 EIEDHN COc1ccc([C@H](Cc2ccncc2)NCc2ccc(C#N)cc2)cc1 ZINC000796692372 1047024158 /nfs/dbraw/zinc/02/41/58/1047024158.db2.gz BWIDPHMOJRFWBH-QFIPXVFZSA-N 0 3 343.430 4.035 20 30 EIEDHN COc1ccc(CNCc2ccc(OC)c3ccccc23)cc1C#N ZINC000746734384 1047131240 /nfs/dbraw/zinc/13/12/40/1047131240.db2.gz RZTIQICRGRRQRJ-UHFFFAOYSA-N 0 3 332.403 4.018 20 30 EIEDHN COc1ccc(CNCc2cc(Cl)cc3cccnc32)cc1C#N ZINC000746739833 1047149711 /nfs/dbraw/zinc/14/97/11/1047149711.db2.gz AKXHATJUXRAAKR-UHFFFAOYSA-N 0 3 337.810 4.058 20 30 EIEDHN C#CCOc1ccc([C@H](C)N[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000806175813 1047162485 /nfs/dbraw/zinc/16/24/85/1047162485.db2.gz FUKZSQXWVURNAQ-MGPUTAFESA-N 0 3 343.854 4.126 20 30 EIEDHN N#Cc1ccccc1CSCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000788652973 1047254112 /nfs/dbraw/zinc/25/41/12/1047254112.db2.gz UNPFCRQGXDDTCC-MRXNPFEDSA-N 0 3 343.883 4.117 20 30 EIEDHN C=CCN(C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(C)C ZINC000918057812 1047307362 /nfs/dbraw/zinc/30/73/62/1047307362.db2.gz ZDOAZFORVVQLAX-QGZVFWFLSA-N 0 3 349.544 4.127 20 30 EIEDHN CCOc1cccc(/C=N/C[C@H](c2ccc(Cl)cc2)N(C)C)c1O ZINC000746817486 1047428521 /nfs/dbraw/zinc/42/85/21/1047428521.db2.gz ZUEBDTBCLPECJE-KKJJZKEWSA-N 0 3 346.858 4.166 20 30 EIEDHN N#CCC[C@H](C#N)CNC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000556483434 1047784908 /nfs/dbraw/zinc/78/49/08/1047784908.db2.gz WGHGKSSTEQMHSH-XLIONFOSSA-N 0 3 342.446 4.333 20 30 EIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccncc2)cc1 ZINC000194916822 1047842594 /nfs/dbraw/zinc/84/25/94/1047842594.db2.gz CTQDXQDFECIAEB-UHFFFAOYSA-N 0 3 343.430 4.164 20 30 EIEDHN Cc1c(CNC2(c3cccc(C#N)c3)CC2)sc2nc(C)nc(C)c12 ZINC000747924217 1047900762 /nfs/dbraw/zinc/90/07/62/1047900762.db2.gz QHBNTKHMLVFVCK-UHFFFAOYSA-N 0 3 348.475 4.267 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)cc1 ZINC000824716168 1047909083 /nfs/dbraw/zinc/90/90/83/1047909083.db2.gz SRCMMLZMPDJHSA-GUTXKFCHSA-N 0 3 326.362 4.140 20 30 EIEDHN COc1ccc(CNCc2cccc(OCCCC#N)c2)cc1Cl ZINC000132270632 1048244036 /nfs/dbraw/zinc/24/40/36/1048244036.db2.gz YBMCNASCEZVQSK-UHFFFAOYSA-N 0 3 344.842 4.321 20 30 EIEDHN C=CCc1cc(OCC)cc(CN2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000919935372 1048316970 /nfs/dbraw/zinc/31/69/70/1048316970.db2.gz DUXWBJKLCAQGMW-OAHLLOKOSA-N 0 3 343.389 4.294 20 30 EIEDHN CC(C)N(Cc1cncc(C#N)c1)C[C@@H](O)c1ccc2ccccc2c1 ZINC001144083222 1048413564 /nfs/dbraw/zinc/41/35/64/1048413564.db2.gz CGKWDVIWMICKGW-JOCHJYFZSA-N 0 3 345.446 4.050 20 30 EIEDHN N#Cc1cncc(CN(CCc2ccccc2)Cc2ccccc2)c1 ZINC001144083497 1048414275 /nfs/dbraw/zinc/41/42/75/1048414275.db2.gz HTBUQZDLACUZRE-UHFFFAOYSA-N 0 3 327.431 4.198 20 30 EIEDHN C#Cc1ccc(CN[C@H]2CCc3c2cccc3Br)cc1 ZINC000809617419 1048422629 /nfs/dbraw/zinc/42/26/29/1048422629.db2.gz QGCBLCPQHZMATR-SFHVURJKSA-N 0 3 326.237 4.208 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)N[C@@H](CO)c1ccc(Cl)cc1Cl ZINC001171190335 1048693693 /nfs/dbraw/zinc/69/36/93/1048693693.db2.gz SDKHEODUTMQDHE-XIKOKIGWSA-N 0 3 349.261 4.119 20 30 EIEDHN C=CCc1cc(CNCc2cncc3ccccc32)cc(OC)c1OC ZINC000772928406 1048697448 /nfs/dbraw/zinc/69/74/48/1048697448.db2.gz ODDLVWLKUXXWMF-UHFFFAOYSA-N 0 3 348.446 4.270 20 30 EIEDHN C#Cc1ccc(CN2CCC(N(C(=O)CC)c3ccccc3)CC2)cc1 ZINC001144567028 1048733899 /nfs/dbraw/zinc/73/38/99/1048733899.db2.gz AHHFDVOOYZWHMT-UHFFFAOYSA-N 0 3 346.474 4.076 20 30 EIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN1CC(C)C ZINC001135487002 1048746646 /nfs/dbraw/zinc/74/66/46/1048746646.db2.gz NLOYXTNFBXRIGT-OAHLLOKOSA-N 0 3 340.920 4.037 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)NCc1coc(-c2ccc(F)cc2)n1 ZINC001171201784 1048757203 /nfs/dbraw/zinc/75/72/03/1048757203.db2.gz QZAYMEREJDLGSI-CQSZACIVSA-N 0 3 335.382 4.073 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC(C(=O)c2ccccc2)CC1 ZINC001171202353 1048761290 /nfs/dbraw/zinc/76/12/90/1048761290.db2.gz BUNZCOKZHDBZBO-KRWDZBQOSA-N 0 3 332.447 4.084 20 30 EIEDHN CCc1cccc(CNCc2ccc(OC)c(O[C@H](C#N)CC)c2)c1 ZINC000845941001 1048769531 /nfs/dbraw/zinc/76/95/31/1048769531.db2.gz SHTNFCGZQSPANR-IBGZPJMESA-N 0 3 338.451 4.228 20 30 EIEDHN N#CC(C(=O)CCCc1ccccc1Cl)C(=O)Nc1ccccc1 ZINC000810529480 1048808109 /nfs/dbraw/zinc/80/81/09/1048808109.db2.gz HQNRGPHMBLHILS-INIZCTEOSA-N 0 3 340.810 4.010 20 30 EIEDHN COc1cccc([C@@H](C/N=C\c2c(O)ccc3ccccc32)N(C)C)c1 ZINC000920945383 1048819038 /nfs/dbraw/zinc/81/90/38/1048819038.db2.gz XDMVHKGNPAGKKF-VLDJDNEVSA-N 0 3 348.446 4.276 20 30 EIEDHN C=C(C)COc1cc(CN2CCC[C@]3(CC3(F)F)C2)ccc1OC ZINC000846106473 1048822078 /nfs/dbraw/zinc/82/20/78/1048822078.db2.gz BQDKYLIEPLRORW-SFHVURJKSA-N 0 3 337.410 4.271 20 30 EIEDHN C=CCc1cc(CN[C@H](C)c2ccc(C)nc2C)cc(OC)c1OC ZINC000772948275 1048885665 /nfs/dbraw/zinc/88/56/65/1048885665.db2.gz VTPCLBIZQFVXDM-OAHLLOKOSA-N 0 3 340.467 4.295 20 30 EIEDHN COc1ccc([C@@H](C)CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000175122136 1049108659 /nfs/dbraw/zinc/10/86/59/1049108659.db2.gz VQEDFKKJJWIGFT-XJKSGUPXSA-N 0 3 334.375 4.206 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCc3ccc(OC)cc32)c1 ZINC000772981773 1049164745 /nfs/dbraw/zinc/16/47/45/1049164745.db2.gz AYJGNIDTHFEWLA-DYESRHJHSA-N 0 3 336.435 4.153 20 30 EIEDHN N=C(N[C@H]1CCc2cccc(Cl)c2C1)c1ccc2ccccc2n1 ZINC001170909726 1049175018 /nfs/dbraw/zinc/17/50/18/1049175018.db2.gz XOQLLUKTUCIZNE-HNNXBMFYSA-N 0 3 335.838 4.151 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(C)nc2C)c1 ZINC000772985349 1049242313 /nfs/dbraw/zinc/24/23/13/1049242313.db2.gz QZASETMGZQPGSQ-BLLLJJGKSA-N 0 3 329.469 4.292 20 30 EIEDHN N#Cc1ccc(CN(CC[C@H]2CCCO2)Cc2cccc(F)c2)cc1 ZINC000195600419 1049260345 /nfs/dbraw/zinc/26/03/45/1049260345.db2.gz KHZOWLYQSFFTKN-OAQYLSRUSA-N 0 3 338.426 4.269 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2C)C(C)(C)C)CC1 ZINC000080121081 1049557773 /nfs/dbraw/zinc/55/77/73/1049557773.db2.gz DTBAMXJLGIXFMA-IBGZPJMESA-N 0 3 343.515 4.032 20 30 EIEDHN C#C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812795112 1049595149 /nfs/dbraw/zinc/59/51/49/1049595149.db2.gz LVXKGLMJHAYERY-KBXCAEBGSA-N 0 3 326.371 4.019 20 30 EIEDHN COC(=O)c1cc2cc(CN(C)[C@H](C)c3cccc(C#N)c3)ccc2o1 ZINC001171400312 1049622093 /nfs/dbraw/zinc/62/20/93/1049622093.db2.gz VXIYIXOLJIMJLX-CQSZACIVSA-N 0 3 348.402 4.284 20 30 EIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(-c2ccc(C)c(OC)c2)no1 ZINC001171920642 1049820383 /nfs/dbraw/zinc/82/03/83/1049820383.db2.gz KKHFVTLCMYICHE-NVXWUHKLSA-N 0 3 341.455 4.278 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000180068385 1049837626 /nfs/dbraw/zinc/83/76/26/1049837626.db2.gz WYOYHPCJSIBWMB-HNNXBMFYSA-N 0 3 335.432 4.312 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCSC[C@H]1c1ccc(F)cc1 ZINC001172320605 1049877453 /nfs/dbraw/zinc/87/74/53/1049877453.db2.gz WRVPEYMVIBQPGT-QRWLVFNGSA-N 0 3 340.467 4.418 20 30 EIEDHN C[C@H](CCCC#N)N1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001172498332 1049922679 /nfs/dbraw/zinc/92/26/79/1049922679.db2.gz LQOQOOVYVPIFSB-CYBMUJFWSA-N 0 3 326.271 4.198 20 30 EIEDHN CCCCCCC[C@H](CCC)N1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001172510463 1049925194 /nfs/dbraw/zinc/92/51/94/1049925194.db2.gz CJRWBDAXBBSQCL-CADBVGFASA-N 0 3 339.520 4.168 20 30 EIEDHN CCCCCCC[C@H](CCC)N1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001172510465 1049925796 /nfs/dbraw/zinc/92/57/96/1049925796.db2.gz CJRWBDAXBBSQCL-OKYOBFRVSA-N 0 3 339.520 4.168 20 30 EIEDHN CCCC[C@@H]1C[C@@H](NCC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC001172621989 1049959731 /nfs/dbraw/zinc/95/97/31/1049959731.db2.gz KKUOZDMTAFXPLF-DLBZAZTESA-N 0 3 349.519 4.228 20 30 EIEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000248368089 1050051848 /nfs/dbraw/zinc/05/18/48/1050051848.db2.gz UUKCEJVYXSELCT-HZPDHXFCSA-N 0 3 347.528 4.387 20 30 EIEDHN C=CCOc1cccc(CNCc2ccc(OC(F)(F)F)cc2)c1 ZINC001177156905 1050158154 /nfs/dbraw/zinc/15/81/54/1050158154.db2.gz DLFNPEUOMOCAAP-UHFFFAOYSA-N 0 3 337.341 4.440 20 30 EIEDHN Cc1cc(Br)cc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000774966210 1050211879 /nfs/dbraw/zinc/21/18/79/1050211879.db2.gz XQHOCBRIAZQGQI-CYBMUJFWSA-N 0 3 329.241 4.480 20 30 EIEDHN C=C(CC(C)C)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001177615885 1050266562 /nfs/dbraw/zinc/26/65/62/1050266562.db2.gz IBCHUGNJZMQQGC-UHFFFAOYSA-N 0 3 328.378 4.308 20 30 EIEDHN CC[C@H](N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(C#N)cc1 ZINC000618569072 1050418404 /nfs/dbraw/zinc/41/84/04/1050418404.db2.gz CZNKROVZTAXGFQ-SFTDATJTSA-N 0 3 330.435 4.237 20 30 EIEDHN N#CCC1CCC(N2CCc3cccc(Br)c3C2)CC1 ZINC001173335896 1050425824 /nfs/dbraw/zinc/42/58/24/1050425824.db2.gz GMZLUXUJUVIWFN-UHFFFAOYSA-N 0 3 333.273 4.280 20 30 EIEDHN CC1(C#N)CCC(NCc2ncc(Cl)cc2Br)CC1 ZINC001173589359 1050494432 /nfs/dbraw/zinc/49/44/32/1050494432.db2.gz VPEIFCSADKAAOX-UHFFFAOYSA-N 0 3 342.668 4.060 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Br)c(F)c1 ZINC000618742653 1050501550 /nfs/dbraw/zinc/50/15/50/1050501550.db2.gz NZJGXCJNLTYKDS-QGZVFWFLSA-N 0 3 345.215 4.237 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)c(Br)c1 ZINC000618741099 1050502035 /nfs/dbraw/zinc/50/20/35/1050502035.db2.gz CKAXLGYWXMRAQW-KRWDZBQOSA-N 0 3 345.215 4.237 20 30 EIEDHN CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000618804076 1050533272 /nfs/dbraw/zinc/53/32/72/1050533272.db2.gz JZDMRGHGZHUEPR-RBUKOAKNSA-N 0 3 334.419 4.058 20 30 EIEDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CCc3cc(C#N)ccc31)CCS2 ZINC000618807352 1050537341 /nfs/dbraw/zinc/53/73/41/1050537341.db2.gz YPILLCSZWDQCER-MOPGFXCFSA-N 0 3 336.460 4.381 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccnn1-c1ccc(F)cc1 ZINC001178972040 1050600753 /nfs/dbraw/zinc/60/07/53/1050600753.db2.gz OOKMNGRQCGXRGX-OAQYLSRUSA-N 0 3 346.409 4.050 20 30 EIEDHN CCN1CCN(c2ccc(N[C@@H](C)c3cccc(C#N)c3)c(C)c2)CC1 ZINC000182565331 1050746337 /nfs/dbraw/zinc/74/63/37/1050746337.db2.gz DRYALQLAAPAWHL-SFHVURJKSA-N 0 3 348.494 4.182 20 30 EIEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000619526337 1050803005 /nfs/dbraw/zinc/80/30/05/1050803005.db2.gz VLBVKKJIOOEJSZ-MRXNPFEDSA-N 0 3 333.435 4.283 20 30 EIEDHN N#Cc1ccc(CNCc2c[nH]nc2-c2ccccc2F)cc1Cl ZINC000619748791 1050894531 /nfs/dbraw/zinc/89/45/31/1050894531.db2.gz VDQZLPOEUXNKOC-UHFFFAOYSA-N 0 3 340.789 4.031 20 30 EIEDHN N#Cc1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000619748637 1050894562 /nfs/dbraw/zinc/89/45/62/1050894562.db2.gz PJJUYOHSTXHFRH-UHFFFAOYSA-N 0 3 340.732 4.400 20 30 EIEDHN Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2cc(C)cc(C)c2)c(C#N)c1C ZINC000182935428 1050908667 /nfs/dbraw/zinc/90/86/67/1050908667.db2.gz MLXQQSONUQNXQB-LSDHHAIUSA-N 0 3 339.439 4.063 20 30 EIEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(C)(C)C#N)cc1 ZINC000619815992 1050919068 /nfs/dbraw/zinc/91/90/68/1050919068.db2.gz DGSAIMLEMPZIOB-UXHICEINSA-N 0 3 346.478 4.042 20 30 EIEDHN Cc1cc(CN2CC[C@H](OCCCc3ccccc3)C2)ccc1C#N ZINC001180224765 1050919319 /nfs/dbraw/zinc/91/93/19/1050919319.db2.gz JBMVCDVTGJICJT-QFIPXVFZSA-N 0 3 334.463 4.090 20 30 EIEDHN C[C@H](CC1CCCCC1)CN1CCN(c2ccccc2C#N)CC1 ZINC001180546307 1051033164 /nfs/dbraw/zinc/03/31/64/1051033164.db2.gz HEGVYNYMCXHYEV-GOSISDBHSA-N 0 3 325.500 4.287 20 30 EIEDHN CCCCC[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000775320103 1051061486 /nfs/dbraw/zinc/06/14/86/1051061486.db2.gz MJZXRXAHDQFSCF-NRFANRHFSA-N 0 3 349.478 4.086 20 30 EIEDHN C[C@H](NCc1ccc(SC(=O)N(C)C)cc1)c1cccc(C#N)c1 ZINC000775335536 1051089139 /nfs/dbraw/zinc/08/91/39/1051089139.db2.gz LUZRYPRPYGQNHV-AWEZNQCLSA-N 0 3 339.464 4.183 20 30 EIEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC001191213773 1051387555 /nfs/dbraw/zinc/38/75/55/1051387555.db2.gz KNAXYIMXZZRYRJ-SFTDATJTSA-N 0 3 347.462 4.073 20 30 EIEDHN CC(C)[C@H](CO)N(CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC001191306527 1051421483 /nfs/dbraw/zinc/42/14/83/1051421483.db2.gz QLTVUBMTEYHMLL-NRFANRHFSA-N 0 3 341.882 4.211 20 30 EIEDHN C#CCCN[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000775529965 1051741774 /nfs/dbraw/zinc/74/17/74/1051741774.db2.gz PCBHIXVEJVXGKP-IBGZPJMESA-N 0 3 338.451 4.019 20 30 EIEDHN CC(C)(C)C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC001192654049 1051779888 /nfs/dbraw/zinc/77/98/88/1051779888.db2.gz TYCWJDMRTHIAQQ-LJQANCHMSA-N 0 3 335.451 4.264 20 30 EIEDHN N#CCC[C@@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775553869 1051833280 /nfs/dbraw/zinc/83/32/80/1051833280.db2.gz RSZPFXNUBDLZFB-QZTJIDSGSA-N 0 3 348.368 4.373 20 30 EIEDHN C[C@@H]1CCC[C@@H](CCN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001193324978 1051899998 /nfs/dbraw/zinc/89/99/98/1051899998.db2.gz XEXWBDCZNKLYKQ-LVCYWYKZSA-N 0 3 343.490 4.224 20 30 EIEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1cncc(Cl)c1Cl ZINC001183919071 1051928502 /nfs/dbraw/zinc/92/85/02/1051928502.db2.gz GFRAVBPHFURTMR-UHFFFAOYSA-N 0 3 334.250 4.371 20 30 EIEDHN C=CCCN(C)Cc1cccc(OC)c1OCc1ccccc1F ZINC001193742706 1051979773 /nfs/dbraw/zinc/97/97/73/1051979773.db2.gz FFIHFUIMEKNJBJ-UHFFFAOYSA-N 0 3 329.415 4.421 20 30 EIEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CCC1 ZINC001176380657 1052028334 /nfs/dbraw/zinc/02/83/34/1052028334.db2.gz FOMKWHPHNRVBTR-SFHVURJKSA-N 0 3 346.474 4.140 20 30 EIEDHN C[C@@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001194262259 1052119617 /nfs/dbraw/zinc/11/96/17/1052119617.db2.gz LPCOALPPVVUOFW-OAQYLSRUSA-N 0 3 349.434 4.410 20 30 EIEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 ZINC000180048825 1052776579 /nfs/dbraw/zinc/77/65/79/1052776579.db2.gz JNAGKVHVPVXKRC-HXUWFJFHSA-N 0 3 336.435 4.125 20 30 EIEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000850468363 1053244524 /nfs/dbraw/zinc/24/45/24/1053244524.db2.gz ZJFXVUSGURGVER-ZDUSSCGKSA-N 0 3 326.827 4.387 20 30 EIEDHN N#CCc1ccc(CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000794692537 1053318032 /nfs/dbraw/zinc/31/80/32/1053318032.db2.gz XZBKSYJXECOMNH-PKTZIBPZSA-N 0 3 342.442 4.317 20 30 EIEDHN N#CC(C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000850738274 1053344721 /nfs/dbraw/zinc/34/47/21/1053344721.db2.gz JFTYJMSAOMYBPD-RCCFBDPRSA-N 0 3 343.430 4.398 20 30 EIEDHN N#CC(C(=O)[C@H]1CCC[C@H]1Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000850738273 1053344797 /nfs/dbraw/zinc/34/47/97/1053344797.db2.gz JFTYJMSAOMYBPD-OKZBNKHCSA-N 0 3 343.430 4.398 20 30 EIEDHN COc1ccc(Cl)cc1C(C)(C)NCCOc1ccccc1C#N ZINC001195343361 1053377106 /nfs/dbraw/zinc/37/71/06/1053377106.db2.gz ZRHQRRFCUUPIAT-UHFFFAOYSA-N 0 3 344.842 4.124 20 30 EIEDHN N#Cc1ccc(CN2CCC3(CCc4ccccc4C3)CC2)cc1F ZINC001195767652 1053475328 /nfs/dbraw/zinc/47/53/28/1053475328.db2.gz MSZAXKYWFAORKT-UHFFFAOYSA-N 0 3 334.438 4.468 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2csc(C)c2C)ccc1OC ZINC000865460332 1053515446 /nfs/dbraw/zinc/51/54/46/1053515446.db2.gz KJRANXWSPYYCJN-QGZVFWFLSA-N 0 3 344.480 4.344 20 30 EIEDHN N#Cc1ccccc1N1CCC(NCc2ccsc2Cl)CC1 ZINC000865694517 1053572161 /nfs/dbraw/zinc/57/21/61/1053572161.db2.gz HFYZMRHECUMAOY-UHFFFAOYSA-N 0 3 331.872 4.032 20 30 EIEDHN CC[C@@H](c1ccccc1)N(CC(=O)NCc1cccc(C#N)c1)C(C)C ZINC001196375237 1053651201 /nfs/dbraw/zinc/65/12/01/1053651201.db2.gz LKOGCLVCVGCTAA-NRFANRHFSA-N 0 3 349.478 4.036 20 30 EIEDHN C[C@@]1(C#N)CCN(Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000853598958 1053688815 /nfs/dbraw/zinc/68/88/15/1053688815.db2.gz HMMWVWOQZBFTNL-KRWDZBQOSA-N 0 3 345.240 4.043 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc3ncsc3c2)cc1 ZINC000776807278 1053907512 /nfs/dbraw/zinc/90/75/12/1053907512.db2.gz GEUIFKIBCBFVSF-KGLIPLIRSA-N 0 3 337.448 4.438 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2cccc(C)c2C)ccc1OC ZINC000113348240 1053927218 /nfs/dbraw/zinc/92/72/18/1053927218.db2.gz DXIQRLCRCIGDDN-IBGZPJMESA-N 0 3 338.451 4.283 20 30 EIEDHN Cc1cc(C#N)ccc1CN1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001198244116 1054109823 /nfs/dbraw/zinc/10/98/23/1054109823.db2.gz ZYKWLIKWIJLWMY-JOCHJYFZSA-N 0 3 330.431 4.307 20 30 EIEDHN COCC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCCCC1 ZINC000857011076 1054150158 /nfs/dbraw/zinc/15/01/58/1054150158.db2.gz IOMODVIRWAKWPT-CYBMUJFWSA-N 0 3 346.427 4.209 20 30 EIEDHN CC(C)(C)OC(=O)Nc1cc(F)cc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000872125331 1054404815 /nfs/dbraw/zinc/40/48/15/1054404815.db2.gz ZALAGEJASFNWTQ-CJNGLKHVSA-N 0 3 347.434 4.345 20 30 EIEDHN C=CCC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000776002513 1054437361 /nfs/dbraw/zinc/43/73/61/1054437361.db2.gz FBVCXQIODQHWRY-YLJYHZDGSA-N 0 3 325.452 4.283 20 30 EIEDHN C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000776002513 1054437366 /nfs/dbraw/zinc/43/73/66/1054437366.db2.gz FBVCXQIODQHWRY-YLJYHZDGSA-N 0 3 325.452 4.283 20 30 EIEDHN Cc1ccc(CN[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1C#N ZINC000859228905 1054647810 /nfs/dbraw/zinc/64/78/10/1054647810.db2.gz FQOVJHZCTIYGQA-OAHLLOKOSA-N 0 3 348.450 4.001 20 30 EIEDHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3=O)cc2)cc1C#N ZINC000859309387 1054660301 /nfs/dbraw/zinc/66/03/01/1054660301.db2.gz NEXZCGYKXSDNFB-KRWDZBQOSA-N 0 3 347.462 4.234 20 30 EIEDHN N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1C#N ZINC001201477648 1054828996 /nfs/dbraw/zinc/82/89/96/1054828996.db2.gz KDGPFJCOLGWOFY-YADHBBJMSA-N 0 3 340.430 4.163 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)oc2C)cc1 ZINC000131486946 1054861264 /nfs/dbraw/zinc/86/12/64/1054861264.db2.gz GGGKQLUBANZEEK-KZULUSFZSA-N 0 3 338.407 4.371 20 30 EIEDHN CCCCCCCCCCN1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001201852897 1054923415 /nfs/dbraw/zinc/92/34/15/1054923415.db2.gz QVBDNGHPUJXPCP-LJQANCHMSA-N 0 3 335.536 4.497 20 30 EIEDHN CCCCCCCCN1CCN(C[C@@H](OC)c2ccccc2)CC1 ZINC001201840278 1054935218 /nfs/dbraw/zinc/93/52/18/1054935218.db2.gz RUYLCAWQLAFKBO-OAQYLSRUSA-N 0 3 332.532 4.352 20 30 EIEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC000876630328 1054940987 /nfs/dbraw/zinc/94/09/87/1054940987.db2.gz XFIHGSLMSQHAHC-OCCSQVGLSA-N 0 3 326.893 4.294 20 30 EIEDHN C#C[C@@H](NCCCP(=O)(OCC)OCC)c1ccc(Cl)cc1 ZINC000877542139 1055075722 /nfs/dbraw/zinc/07/57/22/1055075722.db2.gz WJDJRCKSEGLOED-MRXNPFEDSA-N 0 3 343.791 4.260 20 30 EIEDHN C#C[C@H](N[C@H](C)CC[P@](C)(=O)OCC)c1ccc(Cl)cc1 ZINC000877542408 1055077073 /nfs/dbraw/zinc/07/70/73/1055077073.db2.gz YGVVIBZCKRQICS-ZQWRNJAYSA-N 0 3 327.792 4.327 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000877903637 1055150148 /nfs/dbraw/zinc/15/01/48/1055150148.db2.gz ZILHSWGVTIEIMZ-QUCCMNQESA-N 0 3 338.476 4.326 20 30 EIEDHN CCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1C ZINC000877929537 1055155559 /nfs/dbraw/zinc/15/55/59/1055155559.db2.gz GVPRXMCCOUNKCD-JOCHJYFZSA-N 0 3 334.463 4.258 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccccc1 ZINC000112515239 1055231744 /nfs/dbraw/zinc/23/17/44/1055231744.db2.gz BGYPESRPBYKHOF-CVEARBPZSA-N 0 3 328.481 4.002 20 30 EIEDHN CCC1(CC)CN(CC[C@](C#N)(C(C)=O)c2ccccc2)CCS1 ZINC000878437533 1055311642 /nfs/dbraw/zinc/31/16/42/1055311642.db2.gz ONRBDCADNNXISI-FQEVSTJZSA-N 0 3 344.524 4.035 20 30 EIEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000127175829 1055338762 /nfs/dbraw/zinc/33/87/62/1055338762.db2.gz XXLLDWQOEJDZGD-MOPGFXCFSA-N 0 3 326.827 4.082 20 30 EIEDHN CC(=O)[C@](C#N)(CCN1CCC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000878649130 1055366128 /nfs/dbraw/zinc/36/61/28/1055366128.db2.gz XKKCMJWVRQGJTD-JTHBVZDNSA-N 0 3 346.474 4.307 20 30 EIEDHN CN(CCCc1cc(-c2ccccc2)no1)Cc1ccc(C#N)s1 ZINC000123024687 1055761486 /nfs/dbraw/zinc/76/14/86/1055761486.db2.gz OJZVQZTWMQLNJV-UHFFFAOYSA-N 0 3 337.448 4.339 20 30 EIEDHN CN(Cc1cc(C#N)ccc1F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273420792 1055806818 /nfs/dbraw/zinc/80/68/18/1055806818.db2.gz JTZRCEDCZJRZTI-QUCCMNQESA-N 0 3 342.389 4.189 20 30 EIEDHN C=CCN(Cc1ccc(OCC(F)(F)F)c(OCC)c1)C1CC1 ZINC000542693808 1055836853 /nfs/dbraw/zinc/83/68/53/1055836853.db2.gz YOQARIZMYHBNGE-UHFFFAOYSA-N 0 3 329.362 4.177 20 30 EIEDHN CCN(CC)[C@@H](CNc1c(C#N)cnc2ccccc21)c1ccco1 ZINC000301332945 1055923631 /nfs/dbraw/zinc/92/36/31/1055923631.db2.gz BWSPHRFDHRSDAY-SFHVURJKSA-N 0 3 334.423 4.194 20 30 EIEDHN CCO[C@@H]1C[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])C12CCCC2 ZINC000743043797 1058847819 /nfs/dbraw/zinc/84/78/19/1058847819.db2.gz ADTWWYLHFFOTGY-KASXZYKHSA-N 0 3 344.499 4.395 20 30 EIEDHN N#CC(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccc2ccccc2n1 ZINC000744017012 1059201398 /nfs/dbraw/zinc/20/13/98/1059201398.db2.gz XKOYQYGDNKJGGZ-OAGGEKHMSA-N 0 3 348.352 4.493 20 30 EIEDHN N#CC(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc2ccccc2n1 ZINC000744017014 1059203675 /nfs/dbraw/zinc/20/36/75/1059203675.db2.gz XKOYQYGDNKJGGZ-XHSDSOJGSA-N 0 3 348.352 4.493 20 30 EIEDHN N#CC(C(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccc2ccccc2n1 ZINC000744015703 1059218190 /nfs/dbraw/zinc/21/81/90/1059218190.db2.gz AXXUXTKUUPEXPL-WCAVRKLYSA-N 0 3 338.410 4.315 20 30 EIEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccco1 ZINC000744061823 1059235666 /nfs/dbraw/zinc/23/56/66/1059235666.db2.gz PRIUHFWGKXEQCQ-DOMZBBRYSA-N 0 3 347.399 4.255 20 30 EIEDHN Cc1ccc([C@H](C)C(=O)C(C#N)c2nc3cc(F)ccc3s2)o1 ZINC000744117533 1059273839 /nfs/dbraw/zinc/27/38/39/1059273839.db2.gz XLNRSICRWXKAMH-JQWIXIFHSA-N 0 3 328.368 4.317 20 30 EIEDHN CCN1CCC(N(C2=CC(=O)CCC2)[C@H](C)c2ccccc2)CC1 ZINC001169268673 1060753569 /nfs/dbraw/zinc/75/35/69/1060753569.db2.gz NTTDHYCXPWLCKS-QGZVFWFLSA-N 0 3 326.484 4.171 20 30 EIEDHN COc1cc(C#N)ccc1CN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000766894236 1061056758 /nfs/dbraw/zinc/05/67/58/1061056758.db2.gz AYZXEPSZHAHAMO-UHFFFAOYSA-N 0 3 345.446 4.428 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CCCCC[C@H]2c2ccncc2)cc1 ZINC000245501513 1032277315 /nfs/dbraw/zinc/27/73/15/1032277315.db2.gz CXLZJIOYZNMLGL-UWJYYQICSA-N 0 3 335.451 4.490 20 30 EIEDHN C[C@@H](N[C@H](C)c1cccc2ccccc21)C(=O)Nc1ccccc1C#N ZINC000043303458 1020365079 /nfs/dbraw/zinc/36/50/79/1020365079.db2.gz HYZFPCOFEAJVLT-HZPDHXFCSA-N 0 3 343.430 4.389 20 30 EIEDHN N#Cc1csc(CNCC2(c3ccc(F)cc3)CCCCC2)n1 ZINC000579896137 1020539614 /nfs/dbraw/zinc/53/96/14/1020539614.db2.gz FVDGKDHUROCSJK-UHFFFAOYSA-N 0 3 329.444 4.146 20 30 EIEDHN CC[C@H](NCC#Cc1ccccc1Cl)c1ccc(OC)c(OC)c1 ZINC000510242544 1020574820 /nfs/dbraw/zinc/57/48/20/1020574820.db2.gz MNMHPOPPDVAVSB-SFHVURJKSA-N 0 3 343.854 4.450 20 30 EIEDHN N#CCCCOc1cccc(CN[C@H]2CSCc3ccccc32)c1 ZINC000608861110 1020896221 /nfs/dbraw/zinc/89/62/21/1020896221.db2.gz TXUGTPWJLJAHMQ-FQEVSTJZSA-N 0 3 338.476 4.447 20 30 EIEDHN N#CC1(CCCN2CCC[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000375612962 1020930165 /nfs/dbraw/zinc/93/01/65/1020930165.db2.gz PFYMDJDHEPAPOG-SFHVURJKSA-N 0 3 334.410 4.202 20 30 EIEDHN C=C(C)COc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000610345124 1021342263 /nfs/dbraw/zinc/34/22/63/1021342263.db2.gz SPHYLPYCOFRBRD-INIZCTEOSA-N 0 3 336.435 4.373 20 30 EIEDHN Cc1c(CN2CCSCC2)cccc1N[C@@H](C)CC(C)(C)C#N ZINC000926077928 1021398331 /nfs/dbraw/zinc/39/83/31/1021398331.db2.gz SERCCCJXVABOCZ-HNNXBMFYSA-N 0 3 331.529 4.284 20 30 EIEDHN COC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000613254340 1021835405 /nfs/dbraw/zinc/83/54/05/1021835405.db2.gz GJWSPTNNDGHCJX-WQVCFCJDSA-N 0 3 326.362 4.065 20 30 EIEDHN CCOc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000582413385 1021952101 /nfs/dbraw/zinc/95/21/01/1021952101.db2.gz UZTQXYXFNXHJGK-UHFFFAOYSA-N 0 3 334.341 4.266 20 30 EIEDHN C=C(C)CCN1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001167392300 1021969110 /nfs/dbraw/zinc/96/91/10/1021969110.db2.gz SHQKYKAXFMIHHZ-HNNXBMFYSA-N 0 3 337.305 4.094 20 30 EIEDHN Cc1csc(C(C#N)=C([O-])c2cccc(Br)c2C)n1 ZINC000173898656 1021982429 /nfs/dbraw/zinc/98/24/29/1021982429.db2.gz WNLYWYRXCTXXIC-NSHDSACASA-N 0 3 335.226 4.013 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cccc(Br)c2C)n1 ZINC000173898656 1021982450 /nfs/dbraw/zinc/98/24/50/1021982450.db2.gz WNLYWYRXCTXXIC-NSHDSACASA-N 0 3 335.226 4.013 20 30 EIEDHN N#CC(=C([O-])c1cc2c(s1)-c1ccccc1CC2)c1ccccn1 ZINC000046706011 1022252646 /nfs/dbraw/zinc/25/26/46/1022252646.db2.gz GHPVHBIWDJXLTR-MRXNPFEDSA-N 0 3 330.412 4.399 20 30 EIEDHN N#CC(C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccccn1 ZINC000046706011 1022252668 /nfs/dbraw/zinc/25/26/68/1022252668.db2.gz GHPVHBIWDJXLTR-MRXNPFEDSA-N 0 3 330.412 4.399 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000160622105 1022470473 /nfs/dbraw/zinc/47/04/73/1022470473.db2.gz JQYPPMHAZAZVTM-AWEZNQCLSA-N 0 3 346.377 4.211 20 30 EIEDHN COCc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430597273 1023187553 /nfs/dbraw/zinc/18/75/53/1023187553.db2.gz ZQDCSZVTGLBSCR-AWEZNQCLSA-N 0 3 328.437 4.077 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@]3(C)c3ccccc3)nc21 ZINC000892704454 1023242701 /nfs/dbraw/zinc/24/27/01/1023242701.db2.gz MHNNHDGCJUUXBD-CKJXQJPGSA-N 0 3 329.403 4.025 20 30 EIEDHN COc1ccc2c(c1)[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000537983678 1023273192 /nfs/dbraw/zinc/27/31/92/1023273192.db2.gz UVSJZPJSSULBGM-LJQANCHMSA-N 0 3 345.364 4.343 20 30 EIEDHN COc1ccc2c(c1F)CC[C@@H]2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417370786 1023292899 /nfs/dbraw/zinc/29/28/99/1023292899.db2.gz SUECNLFRDITXBQ-OALUTQOASA-N 0 3 336.410 4.360 20 30 EIEDHN CC[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000341221250 1023398037 /nfs/dbraw/zinc/39/80/37/1023398037.db2.gz UIQQPBBFLOZUFA-YLJYHZDGSA-N 0 3 335.451 4.063 20 30 EIEDHN CC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000341278621 1023498657 /nfs/dbraw/zinc/49/86/57/1023498657.db2.gz FVXCKVYIDIVYSL-QGZVFWFLSA-N 0 3 347.890 4.066 20 30 EIEDHN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(C)c1OC ZINC000418143916 1023557941 /nfs/dbraw/zinc/55/79/41/1023557941.db2.gz JNGICLCCWFDHRO-LJQANCHMSA-N 0 3 336.435 4.051 20 30 EIEDHN COc1ccc2oc(CN[C@H]3CCCc4cc(C#N)ccc43)cc2c1 ZINC000418148070 1023566450 /nfs/dbraw/zinc/56/64/50/1023566450.db2.gz SLPXRWFXPIYYNH-FQEVSTJZSA-N 0 3 332.403 4.480 20 30 EIEDHN CCc1cccc2c(C3CCN(Cc4ccc(C#N)cn4)CC3)c[nH]c21 ZINC000566805670 1023821440 /nfs/dbraw/zinc/82/14/40/1023821440.db2.gz SGEZBRIVGAYEOQ-UHFFFAOYSA-N 0 3 344.462 4.377 20 30 EIEDHN CC(C)(C)C[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000341589715 1023897237 /nfs/dbraw/zinc/89/72/37/1023897237.db2.gz GIACNMYNWWZNEN-MRXNPFEDSA-N 0 3 341.480 4.325 20 30 EIEDHN COc1cccc(C=C2CCN(Cc3ccc(CC#N)cc3)CC2)c1 ZINC000544142541 1023929612 /nfs/dbraw/zinc/92/96/12/1023929612.db2.gz PPUKNUBMOKKRKH-UHFFFAOYSA-N 0 3 332.447 4.441 20 30 EIEDHN C=CCOc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000510519537 1023986573 /nfs/dbraw/zinc/98/65/73/1023986573.db2.gz UENIDDIQRWBZBL-UHFFFAOYSA-N 0 3 348.446 4.166 20 30 EIEDHN Cc1c([C@@H](C)NCC2(CC#N)CC2)cnn1-c1cccc(Cl)c1 ZINC000430759649 1024016691 /nfs/dbraw/zinc/01/66/91/1024016691.db2.gz HATUUDVBDCCZRG-CYBMUJFWSA-N 0 3 328.847 4.179 20 30 EIEDHN Cn1cc(CN(Cc2ccc(Cl)cc2)CC(C)(C)CCC#N)cn1 ZINC000430767962 1024022287 /nfs/dbraw/zinc/02/22/87/1024022287.db2.gz KEFXQNYPFFXDEO-UHFFFAOYSA-N 0 3 344.890 4.406 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430913784 1024220193 /nfs/dbraw/zinc/22/01/93/1024220193.db2.gz YDAYJYLCWIPMEG-GCJKJVERSA-N 0 3 334.463 4.343 20 30 EIEDHN CCOc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccc1OC ZINC000341703231 1024355827 /nfs/dbraw/zinc/35/58/27/1024355827.db2.gz XRJHXRMYQSUTQG-LJQANCHMSA-N 0 3 336.435 4.133 20 30 EIEDHN C=C[C@H](CC(=O)N1CCN(C2CCC(C)CC2)CC1)c1ccccc1 ZINC001126143350 1024489903 /nfs/dbraw/zinc/48/99/03/1024489903.db2.gz UTJFVBIPIHPCQF-OBXNSHGQSA-N 0 3 340.511 4.069 20 30 EIEDHN N#Cc1ccc(CN[C@H](CN2CCCCC2)c2ccccc2)c(F)c1 ZINC000610946851 1025152892 /nfs/dbraw/zinc/15/28/92/1025152892.db2.gz YNLXYDJXQRVISZ-OAQYLSRUSA-N 0 3 337.442 4.014 20 30 EIEDHN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)c(F)c1)c1cccc(C#N)c1 ZINC000549828587 1033266462 /nfs/dbraw/zinc/26/64/62/1033266462.db2.gz PFSVBZUAABTXAV-HUUCEWRRSA-N 0 3 334.398 4.295 20 30 EIEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(-n2cccn2)cc1 ZINC000551565681 1026219794 /nfs/dbraw/zinc/21/97/94/1026219794.db2.gz FFJDIJYHFGIIRB-INIZCTEOSA-N 0 3 328.419 4.084 20 30 EIEDHN C=CCN(CC1CCCCC1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000112204404 1026394667 /nfs/dbraw/zinc/39/46/67/1026394667.db2.gz XPMLIOTYIPGMJB-UHFFFAOYSA-N 0 3 329.488 4.348 20 30 EIEDHN C=CCN1CCC(N[C@H](c2cccc(OC(C)C)c2)C(F)F)CC1 ZINC000684835866 1026504021 /nfs/dbraw/zinc/50/40/21/1026504021.db2.gz LAFIFDZKUCVILX-GOSISDBHSA-N 0 3 338.442 4.020 20 30 EIEDHN CCCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000563329328 1026552843 /nfs/dbraw/zinc/55/28/43/1026552843.db2.gz ZGZWGYZGVOTVOK-LJQANCHMSA-N 0 3 336.435 4.133 20 30 EIEDHN CC[C@@H](N[C@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C#N)cc1 ZINC000375722366 1026873583 /nfs/dbraw/zinc/87/35/83/1026873583.db2.gz ZYPTWWGAPDMIQG-UXHICEINSA-N 0 3 333.435 4.097 20 30 EIEDHN CCn1c2ccccc2nc1[C@H]1CCCN1CCc1ccc(C#N)cc1 ZINC001167594885 1026915784 /nfs/dbraw/zinc/91/57/84/1026915784.db2.gz VYNTUSNOMIFONF-OAQYLSRUSA-N 0 3 344.462 4.307 20 30 EIEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)[C@@H](CC)c1ccccc1 ZINC000519906024 1027040502 /nfs/dbraw/zinc/04/05/02/1027040502.db2.gz BUHXSFMCBSQCTI-NRFANRHFSA-N 0 3 349.478 4.038 20 30 EIEDHN C[C@H](CNc1cc(Cl)ccc1C#N)N1CCc2ccccc2C1 ZINC000609891681 1027494683 /nfs/dbraw/zinc/49/46/83/1027494683.db2.gz YXRAOOKAPDRMLL-CQSZACIVSA-N 0 3 325.843 4.070 20 30 EIEDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000329367558 1027749742 /nfs/dbraw/zinc/74/97/42/1027749742.db2.gz HMAONXMPAFVGMX-KDOFPFPSSA-N 0 3 342.418 4.024 20 30 EIEDHN CSc1ccccc1NC(=O)[C@@H](C)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328691823 1027796334 /nfs/dbraw/zinc/79/63/34/1027796334.db2.gz IYLWODPHPRKYES-IUODEOHRSA-N 0 3 347.484 4.016 20 30 EIEDHN CC(C)(C#N)CCCCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000444589039 1027877839 /nfs/dbraw/zinc/87/78/39/1027877839.db2.gz HRGLSQVUUKIEMB-FLIBITNWSA-N 0 3 325.500 4.037 20 30 EIEDHN Cc1cc(Br)ccc1CN(C)Cc1ccc(CC#N)cc1 ZINC000444693518 1027979359 /nfs/dbraw/zinc/97/93/59/1027979359.db2.gz ADUVNHAQXKKRAF-UHFFFAOYSA-N 0 3 343.268 4.456 20 30 EIEDHN C=CC[C@@H]1N(Cc2nnc(-c3cccc(C#N)c3)o2)CCCC1(C)C ZINC000444784711 1028070969 /nfs/dbraw/zinc/07/09/69/1028070969.db2.gz WJJLEXMEMHTGOD-KRWDZBQOSA-N 0 3 336.439 4.175 20 30 EIEDHN Cc1ccn(-c2ccccc2CN[C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000346213686 1028316691 /nfs/dbraw/zinc/31/66/91/1028316691.db2.gz YRLKVBOUMNJHKH-OAHLLOKOSA-N 0 3 334.398 4.042 20 30 EIEDHN CC[C@H](C)NC(=O)c1cccc(CN[C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000278175673 1028403376 /nfs/dbraw/zinc/40/33/76/1028403376.db2.gz CWNGUECZYCCTJC-KKSFZXQISA-N 0 3 349.478 4.327 20 30 EIEDHN COc1cc(CN[C@H](C)c2cccc(-c3ccncc3)c2)ccc1C#N ZINC000583292360 1028448126 /nfs/dbraw/zinc/44/81/26/1028448126.db2.gz GFXHLRYRZKABFI-MRXNPFEDSA-N 0 3 343.430 4.480 20 30 EIEDHN Cc1ccc([C@H](NCCCC2(C#N)CCOCC2)c2ccccn2)cc1 ZINC000281446794 1028622009 /nfs/dbraw/zinc/62/20/09/1028622009.db2.gz UIMCWVBWYCAKHG-NRFANRHFSA-N 0 3 349.478 4.170 20 30 EIEDHN C[C@H](c1nc2ccccc2s1)N(C)CCCC1(C#N)CCOCC1 ZINC000281985394 1029049682 /nfs/dbraw/zinc/04/96/82/1029049682.db2.gz MJLYPPWOZMEBRL-OAHLLOKOSA-N 0 3 343.496 4.390 20 30 EIEDHN CC(C)N(CCCCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000131045874 1029273737 /nfs/dbraw/zinc/27/37/37/1029273737.db2.gz OAPXJDVBKNGASG-UHFFFAOYSA-N 0 3 332.835 4.294 20 30 EIEDHN Cc1c2ccccc2n(C)c1CNCc1cccc(OCCCC#N)c1 ZINC000475202455 1029431899 /nfs/dbraw/zinc/43/18/99/1029431899.db2.gz JUYINDXDIXOVPA-UHFFFAOYSA-N 0 3 347.462 4.459 20 30 EIEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000192907668 1029639683 /nfs/dbraw/zinc/63/96/83/1029639683.db2.gz HLYBFSCCNHJYJY-ZDUSSCGKSA-N 0 3 334.341 4.459 20 30 EIEDHN C=CCOc1ccc(C[N@H+](Cc2ncccc2[O-])C(C)(C)C)cc1 ZINC000584436772 1029864417 /nfs/dbraw/zinc/86/44/17/1029864417.db2.gz ARZWBMNHJVMZCZ-UHFFFAOYSA-N 0 3 326.440 4.153 20 30 EIEDHN C=CCOc1ccc(C[N@@H+](Cc2ncccc2[O-])C(C)(C)C)cc1 ZINC000584436772 1029864419 /nfs/dbraw/zinc/86/44/19/1029864419.db2.gz ARZWBMNHJVMZCZ-UHFFFAOYSA-N 0 3 326.440 4.153 20 30 EIEDHN Cc1c([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000185799218 1030224641 /nfs/dbraw/zinc/22/46/41/1030224641.db2.gz LPNQVYMJJYUTNQ-QRTARXTBSA-N 0 3 326.419 4.053 20 30 EIEDHN C=CCC[C@@H](O)CNC(C)(C)c1nc(-c2ccccc2F)c(C)s1 ZINC000451166227 1030292129 /nfs/dbraw/zinc/29/21/29/1030292129.db2.gz NILYUSZBXWXERC-CQSZACIVSA-N 0 3 348.487 4.409 20 30 EIEDHN C[C@@H](N[C@@H]1CCCc2nn(-c3ccccc3)cc21)c1ccc(C#N)cc1 ZINC000530321397 1030311338 /nfs/dbraw/zinc/31/13/38/1030311338.db2.gz NKNZIOOBQBNYIJ-IIBYNOLFSA-N 0 3 342.446 4.472 20 30 EIEDHN C[C@H](N[C@@H]1CCCc2nn(-c3ccccc3)cc21)c1ccc(C#N)cc1 ZINC000530321395 1030313246 /nfs/dbraw/zinc/31/32/46/1030313246.db2.gz NKNZIOOBQBNYIJ-HRAATJIYSA-N 0 3 342.446 4.472 20 30 EIEDHN CCc1nn(-c2ccccc2)c(CC)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000448032124 1030528969 /nfs/dbraw/zinc/52/89/69/1030528969.db2.gz WAWDKACRIDTSOI-IAGOWNOFSA-N 0 3 336.483 4.169 20 30 EIEDHN Cc1ccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)s1 ZINC000121954419 1030543444 /nfs/dbraw/zinc/54/34/44/1030543444.db2.gz IKADIYRIVZVXAY-CYBMUJFWSA-N 0 3 339.445 4.426 20 30 EIEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)ccc1Cl ZINC000527808364 1030855591 /nfs/dbraw/zinc/85/55/91/1030855591.db2.gz GQYNPWRBTWRPLN-UHFFFAOYSA-N 0 3 340.854 4.316 20 30 EIEDHN COc1cc(CN[C@H]2CCc3cc(F)c(Cl)cc32)ccc1C#N ZINC000527903468 1030928074 /nfs/dbraw/zinc/92/80/74/1030928074.db2.gz VTUWDLJBOAXTHA-KRWDZBQOSA-N 0 3 330.790 4.136 20 30 EIEDHN C=CC[C@@H]1N(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1(C)C ZINC000618327848 1031164781 /nfs/dbraw/zinc/16/47/81/1031164781.db2.gz ODJLRJGJPLFYOK-INIZCTEOSA-N 0 3 329.400 4.303 20 30 EIEDHN COc1ccc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041536065 1031500696 /nfs/dbraw/zinc/50/06/96/1031500696.db2.gz PADLNHYZVHJXTG-MRXNPFEDSA-N 0 3 334.400 4.309 20 30 EIEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000892496441 1031510627 /nfs/dbraw/zinc/51/06/27/1031510627.db2.gz NTFPEDPKZBAAFR-LLVKDONJSA-N 0 3 339.222 4.243 20 30 EIEDHN C=CCc1cc(CN[C@H]2CCCc3c(F)cccc32)cc(OC)c1O ZINC000449348096 1031645194 /nfs/dbraw/zinc/64/51/94/1031645194.db2.gz FJWKUDNJHNLBNT-IBGZPJMESA-N 0 3 341.426 4.436 20 30 EIEDHN N#Cc1ccc(CNCc2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000047797836 1031819455 /nfs/dbraw/zinc/81/94/55/1031819455.db2.gz IDGWPAYYXVKFEO-UHFFFAOYSA-N 0 3 338.414 4.187 20 30 EIEDHN C[C@@H](NC[C@H]1SCCc2ccccc21)c1ccc(C#N)cc1F ZINC000512641291 1033592333 /nfs/dbraw/zinc/59/23/33/1033592333.db2.gz FVJPRLJSMOQGBM-BFUOFWGJSA-N 0 3 326.440 4.379 20 30 EIEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000614179580 1033608205 /nfs/dbraw/zinc/60/82/05/1033608205.db2.gz SKYJROYKBDVISL-OWJWWREXSA-N 0 3 340.492 4.076 20 30 EIEDHN CC(C)(C#N)c1ccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000614183907 1033630645 /nfs/dbraw/zinc/63/06/45/1033630645.db2.gz NSRMCQZBKDHJNM-HXUWFJFHSA-N 0 3 338.426 4.280 20 30 EIEDHN CCc1cccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433013163 1033639456 /nfs/dbraw/zinc/63/94/56/1033639456.db2.gz NNJDRZAQIKQANS-FQEVSTJZSA-N 0 3 335.451 4.212 20 30 EIEDHN CC(C)N(C(=O)CN[C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433020371 1033667311 /nfs/dbraw/zinc/66/73/11/1033667311.db2.gz RSHYORSXPLYKPZ-NRFANRHFSA-N 0 3 349.478 4.453 20 30 EIEDHN C[C@@H](N[C@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000512668895 1033671192 /nfs/dbraw/zinc/67/11/92/1033671192.db2.gz XDGAAZOFUGMETR-IIBYNOLFSA-N 0 3 337.442 4.185 20 30 EIEDHN CCN(CC)[C@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccsc1 ZINC000512672788 1033682967 /nfs/dbraw/zinc/68/29/67/1033682967.db2.gz MLSJGNIIHDBQFR-AUUYWEPGSA-N 0 3 345.487 4.493 20 30 EIEDHN CCc1ccccc1NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433024905 1033684159 /nfs/dbraw/zinc/68/41/59/1033684159.db2.gz ZTGZFDYBIFCYEV-LJQANCHMSA-N 0 3 335.451 4.212 20 30 EIEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280168612 1035191710 /nfs/dbraw/zinc/19/17/10/1035191710.db2.gz FTKFHXMSXAHOMM-GMXABZIVSA-N 0 3 346.780 4.064 20 30 EIEDHN Cc1cc(C)cc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000419843643 1035424849 /nfs/dbraw/zinc/42/48/49/1035424849.db2.gz XXGIEMUEWUALJP-CQSZACIVSA-N 0 3 327.453 4.303 20 30 EIEDHN C[C@@H](COc1c(F)cccc1F)N[C@@H](C)c1ccc(C#N)cc1F ZINC000595071863 1035556113 /nfs/dbraw/zinc/55/61/13/1035556113.db2.gz CDPBYQVABTWFFN-RYUDHWBXSA-N 0 3 334.341 4.094 20 30 EIEDHN COc1ccc([C@@H](C)[C@H](C)NCC2(C#N)CCCCC2)cc1OC ZINC000595092222 1035597560 /nfs/dbraw/zinc/59/75/60/1035597560.db2.gz ZNHCJJRLQVOWLG-HOTGVXAUSA-N 0 3 330.472 4.259 20 30 EIEDHN N#CC[C@@H]1CCCN(Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000595610710 1035751623 /nfs/dbraw/zinc/75/16/23/1035751623.db2.gz AGSFRPOMXYVRPE-KRWDZBQOSA-N 0 3 330.435 4.127 20 30 EIEDHN C=CCOc1cccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000513725131 1035763930 /nfs/dbraw/zinc/76/39/30/1035763930.db2.gz MQKDQLKPMZLIKU-UHFFFAOYSA-N 0 3 348.446 4.166 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN3CC[C@H](C4CCCCC4)C3)o2)c1 ZINC000595738928 1035777690 /nfs/dbraw/zinc/77/76/90/1035777690.db2.gz OLBDPIOGIQYRKP-SFHVURJKSA-N 0 3 336.439 4.010 20 30 EIEDHN CC[C@H](c1ccccc1)N(CC(=O)Nc1sccc1C#N)C(C)C ZINC000595849722 1035795657 /nfs/dbraw/zinc/79/56/57/1035795657.db2.gz DFIVNMBFPSIHNC-QGZVFWFLSA-N 0 3 341.480 4.420 20 30 EIEDHN CC(C)CC1(NCC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000595832264 1035800571 /nfs/dbraw/zinc/80/05/71/1035800571.db2.gz VLWCAEUERAVVSB-OAHLLOKOSA-N 0 3 345.512 4.045 20 30 EIEDHN N#Cc1ccc(CN2CCC3(CCc4ccccc4O3)CC2)c(F)c1 ZINC000595831279 1035800862 /nfs/dbraw/zinc/80/08/62/1035800862.db2.gz ZYTZXRQCDALYQI-UHFFFAOYSA-N 0 3 336.410 4.057 20 30 EIEDHN N#Cc1ccc(F)c(CN2CCC3(CCc4ccccc4O3)CC2)c1 ZINC000595828936 1035801638 /nfs/dbraw/zinc/80/16/38/1035801638.db2.gz NIJKWZZDPBXWQI-UHFFFAOYSA-N 0 3 336.410 4.057 20 30 EIEDHN N#Cc1cc(CN2CCC3(CCc4ccccc4O3)CC2)ccc1F ZINC000595829411 1035801835 /nfs/dbraw/zinc/80/18/35/1035801835.db2.gz TZZZYHDJXAPGTR-UHFFFAOYSA-N 0 3 336.410 4.057 20 30 EIEDHN CC(C)(C)[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000054990620 1035877133 /nfs/dbraw/zinc/87/71/33/1035877133.db2.gz VVGQFFAFQUUXPQ-NRFANRHFSA-N 0 3 349.478 4.310 20 30 EIEDHN N#CC[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597175419 1036140216 /nfs/dbraw/zinc/14/02/16/1036140216.db2.gz ZBZJKJNNAIJIQI-CQSZACIVSA-N 0 3 341.436 4.449 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1cccc(C)c1 ZINC001168381929 1036244480 /nfs/dbraw/zinc/24/44/80/1036244480.db2.gz JZEZBXMAVZHCDH-DLBZAZTESA-N 0 3 342.508 4.310 20 30 EIEDHN CC(C)c1ccccc1NC(=O)C[C@@H](C)NCc1ccc(C#N)s1 ZINC000421345778 1036288442 /nfs/dbraw/zinc/28/84/42/1036288442.db2.gz BDOWZBFWMNAFEM-CQSZACIVSA-N 0 3 341.480 4.250 20 30 EIEDHN CC(C)CCOc1ccccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602529435 1036492373 /nfs/dbraw/zinc/49/23/73/1036492373.db2.gz UXFNYHBQYDTNRW-GOSISDBHSA-N 0 3 344.499 4.300 20 30 EIEDHN N#CCC1(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000602801490 1036625658 /nfs/dbraw/zinc/62/56/58/1036625658.db2.gz DWQJILWXMHWBAH-IBGZPJMESA-N 0 3 348.425 4.200 20 30 EIEDHN COc1ccc(CCN(Cc2ccc(C#N)o2)Cc2ccccc2)cc1 ZINC000513755903 1036696766 /nfs/dbraw/zinc/69/67/66/1036696766.db2.gz UWKSSANIFGMTAS-UHFFFAOYSA-N 0 3 346.430 4.405 20 30 EIEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cc(F)c(Cl)cc1Cl ZINC000598601549 1036701600 /nfs/dbraw/zinc/70/16/00/1036701600.db2.gz TWHQHONUEDPFMV-ZJUUUORDSA-N 0 3 333.234 4.084 20 30 EIEDHN CC(=O)N1CC[C@H](NC2(c3ccc(C#N)cc3)CCC2)c2ccccc21 ZINC000598679731 1036745921 /nfs/dbraw/zinc/74/59/21/1036745921.db2.gz LVTPSCLMKFKLNI-FQEVSTJZSA-N 0 3 345.446 4.025 20 30 EIEDHN N#CCCC1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000572644481 1036804159 /nfs/dbraw/zinc/80/41/59/1036804159.db2.gz DORKALUQACLNJO-UHFFFAOYSA-N 0 3 328.847 4.041 20 30 EIEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccncc3)C2)c(C(F)(F)F)c1 ZINC000589510885 1036813651 /nfs/dbraw/zinc/81/36/51/1036813651.db2.gz SQVWWFBZIZSDHK-MRXNPFEDSA-N 0 3 345.368 4.037 20 30 EIEDHN COc1ccc(C(C)(C)NCc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000598997107 1036848367 /nfs/dbraw/zinc/84/83/67/1036848367.db2.gz VWTZWAUZWGTXDR-UHFFFAOYSA-N 0 3 338.426 4.414 20 30 EIEDHN CN(C)C[C@@H](NCCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000599628365 1037100987 /nfs/dbraw/zinc/10/09/87/1037100987.db2.gz RWTYXNPLSCOHEW-OAHLLOKOSA-N 0 3 328.287 4.126 20 30 EIEDHN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1cc(C)ccc1C ZINC000599640591 1037106431 /nfs/dbraw/zinc/10/64/31/1037106431.db2.gz KHUQYXLRJFQDJU-APWZRJJASA-N 0 3 335.451 4.243 20 30 EIEDHN CCOc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(Cl)c1O ZINC000590957305 1037212554 /nfs/dbraw/zinc/21/25/54/1037212554.db2.gz BETYKEOAENLITI-GFCCVEGCSA-N 0 3 330.815 4.167 20 30 EIEDHN Cc1cc(CN2CCC(C)(C#N)CC2)cc(C)c1OCc1ccccn1 ZINC000272549556 1037221145 /nfs/dbraw/zinc/22/11/45/1037221145.db2.gz QXWCLNARXLQYDZ-UHFFFAOYSA-N 0 3 349.478 4.403 20 30 EIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000591348975 1037390024 /nfs/dbraw/zinc/39/00/24/1037390024.db2.gz VEJIZOSBIZKPNR-YVEFUNNKSA-N 0 3 333.391 4.133 20 30 EIEDHN N#CC(C(=O)C[C@H]1CCCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000171776395 1037650655 /nfs/dbraw/zinc/65/06/55/1037650655.db2.gz ZKPRYXQXPCYRAY-WBVHZDCISA-N 0 3 329.403 4.249 20 30 EIEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000593011875 1037892224 /nfs/dbraw/zinc/89/22/24/1037892224.db2.gz MVMBKQYUHLDXNK-OAHLLOKOSA-N 0 3 341.798 4.109 20 30 EIEDHN COc1ccc([C@H](NCC2CCC(C#N)CC2)c2ccccn2)cc1 ZINC000593713074 1038135978 /nfs/dbraw/zinc/13/59/78/1038135978.db2.gz SMABIHOFXYBCNU-BPZDKFOGSA-N 0 3 335.451 4.099 20 30 EIEDHN CC(C)CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594429531 1038331155 /nfs/dbraw/zinc/33/11/55/1038331155.db2.gz UARUUEWMOLYERC-MSOLQXFVSA-N 0 3 349.906 4.345 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000594440423 1038335061 /nfs/dbraw/zinc/33/50/61/1038335061.db2.gz ZDRTYVYNBVZUOU-UXHICEINSA-N 0 3 341.499 4.226 20 30 EIEDHN CC(C)c1ccc([C@H](NC(=O)[C@H](N)CCCCC#N)C(C)C)cc1 ZINC000594426769 1038340183 /nfs/dbraw/zinc/34/01/83/1038340183.db2.gz RWYGJRMNFLFXMB-RTBURBONSA-N 0 3 329.488 4.035 20 30 EIEDHN COc1cc2c(cc1F)CC[C@H]2NC1(c2ccc(C#N)cc2)CCC1 ZINC000594519171 1038360368 /nfs/dbraw/zinc/36/03/68/1038360368.db2.gz UVIHYCGRXYEDBU-LJQANCHMSA-N 0 3 336.410 4.362 20 30 EIEDHN COc1cc(C)c(CNC2(c3ccc(C#N)cc3)CCC2)cc1OC ZINC000594519443 1038362010 /nfs/dbraw/zinc/36/20/10/1038362010.db2.gz KUDXWSDGGRCCNC-UHFFFAOYSA-N 0 3 336.435 4.053 20 30 EIEDHN N#CC1(c2ccc(CN[C@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000594944732 1038513594 /nfs/dbraw/zinc/51/35/94/1038513594.db2.gz VPOAVBVZBRMARB-IBGZPJMESA-N 0 3 336.410 4.384 20 30 EIEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000173954227 1038799122 /nfs/dbraw/zinc/79/91/22/1038799122.db2.gz IKAKJZROPJOLMM-GWCFXTLKSA-N 0 3 340.395 4.085 20 30 EIEDHN C=CCCOCCN[C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000539053783 1038800739 /nfs/dbraw/zinc/80/07/39/1038800739.db2.gz GZQMGXJPLHOYNT-KRWDZBQOSA-N 0 3 327.472 4.041 20 30 EIEDHN C[C@H](CCc1ccccc1F)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000174015944 1038819508 /nfs/dbraw/zinc/81/95/08/1038819508.db2.gz SXXXLZXRVZQERZ-HIFRSBDPSA-N 0 3 336.366 4.412 20 30 EIEDHN C=CCCc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000505056425 1038925490 /nfs/dbraw/zinc/92/54/90/1038925490.db2.gz BHFJSIWHIVNJKE-RTWAWAEBSA-N 0 3 349.478 4.372 20 30 EIEDHN N#Cc1cnc(CNC2CCC(c3ccc(Cl)cc3)CC2)s1 ZINC001168335459 1039074959 /nfs/dbraw/zinc/07/49/59/1039074959.db2.gz LBRHGQGGQLQONM-UHFFFAOYSA-N 0 3 331.872 4.484 20 30 EIEDHN C=C(C)CN(C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000481267713 1039197107 /nfs/dbraw/zinc/19/71/07/1039197107.db2.gz HPUCGMINRBXKJP-UHFFFAOYSA-N 0 3 336.435 4.154 20 30 EIEDHN C=C(C)[C@H](NCCOc1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000481590625 1039603259 /nfs/dbraw/zinc/60/32/59/1039603259.db2.gz FZBHVINYUMIXBV-IBGZPJMESA-N 0 3 328.362 4.122 20 30 EIEDHN C=C(C)[C@@H](NC[C@H](O)CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000481593830 1039608701 /nfs/dbraw/zinc/60/87/01/1039608701.db2.gz FUMOCBHQXDAABJ-YLJYHZDGSA-N 0 3 331.406 4.165 20 30 EIEDHN C=C(C)C[C@H](C)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000481644596 1039675882 /nfs/dbraw/zinc/67/58/82/1039675882.db2.gz LYDMOEZMQXOVGB-SFHVURJKSA-N 0 3 343.515 4.066 20 30 EIEDHN CCC1CCC(N(CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)CC1 ZINC000434659280 1039788329 /nfs/dbraw/zinc/78/83/29/1039788329.db2.gz OJPDJLXSJSLWMC-UHFFFAOYSA-N 0 3 343.471 4.140 20 30 EIEDHN COc1ccc(CN2CC3(CCC3)[C@H]2C(C)C)cc1OCCCC#N ZINC000430094476 1039837994 /nfs/dbraw/zinc/83/79/94/1039837994.db2.gz KITILQRHDIXAGM-HXUWFJFHSA-N 0 3 342.483 4.388 20 30 EIEDHN C=CCOc1cccc(CN2CCC(OCC3CCCC3)CC2)c1 ZINC000537661209 1039875644 /nfs/dbraw/zinc/87/56/44/1039875644.db2.gz NIMVVFZWFOGMHC-UHFFFAOYSA-N 0 3 329.484 4.423 20 30 EIEDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc(Cl)cc2C#N)CC1 ZINC000425234796 1039901214 /nfs/dbraw/zinc/90/12/14/1039901214.db2.gz HVQXJFWTSKLGID-AWEZNQCLSA-N 0 3 340.858 4.244 20 30 EIEDHN Cc1c(CN[C@H]2CCCCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000481996427 1039941231 /nfs/dbraw/zinc/94/12/31/1039941231.db2.gz AFDSZCRUBSPNQV-IBGZPJMESA-N 0 3 335.407 4.332 20 30 EIEDHN Cc1nc(C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc1C ZINC000160141306 1040372045 /nfs/dbraw/zinc/37/20/45/1040372045.db2.gz FCEISBKCFBAFKI-LBPRGKRZSA-N 0 3 340.235 4.313 20 30 EIEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(-c2ccc(F)cc2)n1 ZINC000435746033 1040598217 /nfs/dbraw/zinc/59/82/17/1040598217.db2.gz SPNUWHKJUZKLFJ-RHSMWYFYSA-N 0 3 332.444 4.020 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccc(F)cc2)C2CCOCC2)cc1F ZINC000553910517 1040626451 /nfs/dbraw/zinc/62/64/51/1040626451.db2.gz QWMYOMKOPDJJPI-UHFFFAOYSA-N 0 3 342.389 4.018 20 30 EIEDHN N#CC(C(=O)c1cc(Cl)cc2c1OCC2)c1nccc2ccccc21 ZINC000483220798 1040776988 /nfs/dbraw/zinc/77/69/88/1040776988.db2.gz PMTSIUQRYJKRCM-QGZVFWFLSA-N 0 3 348.789 4.313 20 30 EIEDHN COc1ccc2c(c1)[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000537983677 1040959160 /nfs/dbraw/zinc/95/91/60/1040959160.db2.gz UVSJZPJSSULBGM-IBGZPJMESA-N 0 3 345.364 4.343 20 30 EIEDHN COc1cccc2c1CC[C@H]2NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000537985034 1040962943 /nfs/dbraw/zinc/96/29/43/1040962943.db2.gz QFHXMOXBGSXODL-GOSISDBHSA-N 0 3 345.364 4.343 20 30 EIEDHN COc1cc(CN2CCC=C(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000436249678 1040997903 /nfs/dbraw/zinc/99/79/03/1040997903.db2.gz AYXSHZQQOHPIRB-UHFFFAOYSA-N 0 3 348.446 4.298 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccccc2)CC2(O)CCCC2)cc1F ZINC000483935507 1041072118 /nfs/dbraw/zinc/07/21/18/1041072118.db2.gz UNLMARROSGMNHG-UHFFFAOYSA-N 0 3 338.426 4.005 20 30 EIEDHN CC[C@H](C)[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000538186947 1041147110 /nfs/dbraw/zinc/14/71/10/1041147110.db2.gz DJPQVVARSFDIIE-DOXZYTNZSA-N 0 3 349.906 4.025 20 30 EIEDHN COc1cc(OC)c(OC)cc1CN(CCC(C)(C)C#N)C(C)(C)C ZINC000538466032 1041371294 /nfs/dbraw/zinc/37/12/94/1041371294.db2.gz BBKOEEWJAAOBBD-UHFFFAOYSA-N 0 3 348.487 4.253 20 30 EIEDHN Cc1cc(C)cc([C@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000540409319 1041436871 /nfs/dbraw/zinc/43/68/71/1041436871.db2.gz WCFJQHINUYUMPA-RBUKOAKNSA-N 0 3 349.478 4.289 20 30 EIEDHN C=C(C)[C@@H](N[C@H](C)Cc1cccc(OC)n1)c1ccc(F)c(F)c1 ZINC000480679683 1041476150 /nfs/dbraw/zinc/47/61/50/1041476150.db2.gz JJOSHNBREOWMJA-BFUOFWGJSA-N 0 3 332.394 4.206 20 30 EIEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(C)cc1F)c1ccccc1 ZINC000540455822 1041477085 /nfs/dbraw/zinc/47/70/85/1041477085.db2.gz CTKQSQDHWRHXTG-GOSISDBHSA-N 0 3 326.415 4.370 20 30 EIEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(OCc2cccnc2)cc1 ZINC000540549882 1041535211 /nfs/dbraw/zinc/53/52/11/1041535211.db2.gz WEHAPQKWWHIFSQ-OAHLLOKOSA-N 0 3 349.459 4.445 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000538794851 1041538344 /nfs/dbraw/zinc/53/83/44/1041538344.db2.gz WRAVZKRPYYTXFW-DLBZAZTESA-N 0 3 335.875 4.153 20 30 EIEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000540705454 1041605283 /nfs/dbraw/zinc/60/52/83/1041605283.db2.gz GMXKEPIPZPOKOF-SGTLLEGYSA-N 0 3 332.806 4.389 20 30 EIEDHN COc1ccc(Oc2ccc(CCNCc3ccc(C#N)o3)cc2)cc1 ZINC000540794744 1041675285 /nfs/dbraw/zinc/67/52/85/1041675285.db2.gz WMBYFZKMBUXRBW-UHFFFAOYSA-N 0 3 348.402 4.284 20 30 EIEDHN CCC[C@@H](C)N(C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470364281 1041848577 /nfs/dbraw/zinc/84/85/77/1041848577.db2.gz TUOGGVNTYTZTPY-OAHLLOKOSA-N 0 3 335.879 4.016 20 30 EIEDHN CN(Cc1ccc(CC#N)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC000541349657 1041899214 /nfs/dbraw/zinc/89/92/14/1041899214.db2.gz OMDUZQCVOLXMIQ-UHFFFAOYSA-N 0 3 334.341 4.283 20 30 EIEDHN N#CCc1ccc(CN2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000542207725 1042344614 /nfs/dbraw/zinc/34/46/14/1042344614.db2.gz WDJKGEGLJOOZAN-UHFFFAOYSA-N 0 3 340.854 4.449 20 30 EIEDHN CCC[C@H](C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000030270600 1042499756 /nfs/dbraw/zinc/49/97/56/1042499756.db2.gz NOLXJZJQILDXAV-AWEZNQCLSA-N 0 3 344.503 4.151 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CC1)OCCc1ccsc12 ZINC000492600745 1042706009 /nfs/dbraw/zinc/70/60/09/1042706009.db2.gz IGYIHWMBYOWPHZ-HNNXBMFYSA-N 0 3 338.476 4.245 20 30 EIEDHN CCCN(CCCC(C)(C)C#N)CC(=O)Nc1ccc(Cl)cc1 ZINC000174858989 1042716324 /nfs/dbraw/zinc/71/63/24/1042716324.db2.gz MWMQOYNTUXEVBZ-UHFFFAOYSA-N 0 3 335.879 4.320 20 30 EIEDHN C=CCC[C@@H](NC(=O)CN(C)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000441582850 1042895556 /nfs/dbraw/zinc/89/55/56/1042895556.db2.gz ZHJQUPGCLXKOBS-MRXNPFEDSA-N 0 3 342.405 4.169 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2cc3ccccc3n2CC#N)n1 ZINC000673813960 1043078463 /nfs/dbraw/zinc/07/84/63/1043078463.db2.gz JLKBEKRZTXQGGH-AWEZNQCLSA-N 0 3 348.431 4.235 20 30 EIEDHN COc1cccc(Oc2ccc(CN[C@H]3CCC[C@H](C#N)C3)cn2)c1 ZINC000185784662 1043221029 /nfs/dbraw/zinc/22/10/29/1043221029.db2.gz KUTSDXRTTOLMGN-RDJZCZTQSA-N 0 3 337.423 4.054 20 30 EIEDHN N#CC1CCC(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000929333814 1043241102 /nfs/dbraw/zinc/24/11/02/1043241102.db2.gz YEMZVROUXQMDOO-FIYWTHMPSA-N 0 3 342.327 4.379 20 30 EIEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(C(C)C)cc2)CC1 ZINC000729942009 1043410770 /nfs/dbraw/zinc/41/07/70/1043410770.db2.gz FQEVLVQVQKWRKS-UHFFFAOYSA-N 0 3 331.529 4.137 20 30 EIEDHN C[C@@H](N[C@@H](C)c1csc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000730018829 1043434813 /nfs/dbraw/zinc/43/48/13/1043434813.db2.gz AZZXZFRDUZUAEY-UONOGXRCSA-N 0 3 349.459 4.451 20 30 EIEDHN C#CCN1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2C)CC1 ZINC000731465223 1043754804 /nfs/dbraw/zinc/75/48/04/1043754804.db2.gz FAEASAXHIYWJFD-UHFFFAOYSA-N 0 3 348.446 4.071 20 30 EIEDHN Cc1ccc(C(=O)C2CCN(Cc3ccc(CC#N)cc3)CC2)cc1 ZINC000543140974 1043964686 /nfs/dbraw/zinc/96/46/86/1043964686.db2.gz ZZNFMYJVRJQSGW-UHFFFAOYSA-N 0 3 332.447 4.156 20 30 EIEDHN Cc1cc(CNCc2ccc(C#N)cc2)ccc1Oc1cccnc1 ZINC000732817745 1044013514 /nfs/dbraw/zinc/01/35/14/1044013514.db2.gz IXGVZBHUNRYCTA-UHFFFAOYSA-N 0 3 329.403 4.344 20 30 EIEDHN CC(C)(C#N)c1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000193466858 1044061831 /nfs/dbraw/zinc/06/18/31/1044061831.db2.gz KWDGOAQFLNOBTK-UHFFFAOYSA-N 0 3 347.462 4.336 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000174039454 1044214063 /nfs/dbraw/zinc/21/40/63/1044214063.db2.gz JRSOAGPPONSGSR-LBPRGKRZSA-N 0 3 334.341 4.436 20 30 EIEDHN C[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)[C@H](c2ccco2)C1 ZINC000174509958 1044283628 /nfs/dbraw/zinc/28/36/28/1044283628.db2.gz ZYIPPDSSVYBYGI-HIFRSBDPSA-N 0 3 343.452 4.015 20 30 EIEDHN N#Cc1cccc(CCNCc2csc(-c3ccsc3)n2)c1 ZINC000466412802 1044417079 /nfs/dbraw/zinc/41/70/79/1044417079.db2.gz XBQVDOFPBRQNNE-UHFFFAOYSA-N 0 3 325.462 4.076 20 30 EIEDHN N#Cc1cccc(CCNCc2csc(-c3cccs3)n2)c1 ZINC000466426783 1044442512 /nfs/dbraw/zinc/44/25/12/1044442512.db2.gz TVMDQLLWACOPQI-UHFFFAOYSA-N 0 3 325.462 4.076 20 30 EIEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000734079163 1044477705 /nfs/dbraw/zinc/47/77/05/1044477705.db2.gz LRZSJYRXSWXQIC-MLGOLLRUSA-N 0 3 332.831 4.204 20 30 EIEDHN Oc1ccc2ccccc2c1/C=N\CCN1CCc2ccccc2C1 ZINC000914556713 1044478455 /nfs/dbraw/zinc/47/84/55/1044478455.db2.gz FPQATGKZHHUSBR-HAHDFKILSA-N 0 3 330.431 4.023 20 30 EIEDHN N#Cc1cccc(CN[C@@H]2CCc3ccc(Br)cc32)c1 ZINC000193160066 1044656026 /nfs/dbraw/zinc/65/60/26/1044656026.db2.gz LTRKBHJTIUOGBZ-QGZVFWFLSA-N 0 3 327.225 4.098 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2c(s1)CCCC2 ZINC000123439348 1044718746 /nfs/dbraw/zinc/71/87/46/1044718746.db2.gz BFAVPFLBLVICRO-ZDUSSCGKSA-N 0 3 335.432 4.004 20 30 EIEDHN C=CCN(CCc1ccco1)Cc1ccccc1OCc1ccccn1 ZINC000495171368 1044750712 /nfs/dbraw/zinc/75/07/12/1044750712.db2.gz ZVLDQLHZTHFBQF-UHFFFAOYSA-N 0 3 348.446 4.484 20 30 EIEDHN C=CCCC[C@@H](NCc1ccc2c(c1)NC(=O)CO2)c1ccccc1 ZINC000895639098 1044834514 /nfs/dbraw/zinc/83/45/14/1044834514.db2.gz YKYIIESPJXACFM-GOSISDBHSA-N 0 3 336.435 4.205 20 30 EIEDHN C[C@@H]1SCCN(Cc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000735673795 1044857274 /nfs/dbraw/zinc/85/72/74/1044857274.db2.gz HBPOIQSYBYINES-OXJNMPFZSA-N 0 3 338.476 4.268 20 30 EIEDHN N#CC(C(=O)CC1CCSCC1)c1nc2ccccc2n1C(F)F ZINC000762068601 1044890523 /nfs/dbraw/zinc/89/05/23/1044890523.db2.gz LJNQMNVEQPDSRF-GFCCVEGCSA-N 0 3 349.406 4.141 20 30 EIEDHN CCOc1ccc(O)c(/C=N\C[C@@H](c2ccsc2)N(CC)CC)c1 ZINC000915114125 1045115003 /nfs/dbraw/zinc/11/50/03/1045115003.db2.gz DUCIKURORFXZPP-HRVJUDJTSA-N 0 3 346.496 4.354 20 30 EIEDHN CC[C@H]1CCCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000739926331 1045175692 /nfs/dbraw/zinc/17/56/92/1045175692.db2.gz DEWOJOIDEKACDY-GJZGRUSLSA-N 0 3 341.480 4.127 20 30 EIEDHN C=CC[C@H](N[C@H](C)c1cc(OC)c(OC)cc1C)c1ccncc1 ZINC000766019133 1045212057 /nfs/dbraw/zinc/21/20/57/1045212057.db2.gz KDVWRPNEUKWOTH-QAPCUYQASA-N 0 3 326.440 4.375 20 30 EIEDHN CCCC(=O)Nc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390687 1045296722 /nfs/dbraw/zinc/29/67/22/1045296722.db2.gz OPOYFKVGPCKXAJ-NRFANRHFSA-N 0 3 347.462 4.464 20 30 EIEDHN CC1(C)C[C@@H](N(Cc2ccccc2)Cc2ccnc(C#N)c2)C(C)(C)O1 ZINC000611484072 1045318264 /nfs/dbraw/zinc/31/82/64/1045318264.db2.gz HFEHGMAKMROTDL-HXUWFJFHSA-N 0 3 349.478 4.302 20 30 EIEDHN CCc1ccccc1NC(=O)C[C@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000272317661 1045412773 /nfs/dbraw/zinc/41/27/73/1045412773.db2.gz VEIFOSYJQCTVIB-INIZCTEOSA-N 0 3 347.462 4.117 20 30 EIEDHN CCC[C@@H](NCCOc1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168498680 1045462259 /nfs/dbraw/zinc/46/22/59/1045462259.db2.gz SLCBYMIWSYOAIK-LJQANCHMSA-N 0 3 330.378 4.346 20 30 EIEDHN CC(C)N(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC000533529653 1045545051 /nfs/dbraw/zinc/54/50/51/1045545051.db2.gz CAHPDSUBSCDKSQ-UHFFFAOYSA-N 0 3 345.512 4.090 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc(C(F)F)c3)nc21 ZINC000790781455 1045579009 /nfs/dbraw/zinc/57/90/09/1045579009.db2.gz WTHQEYYNZQPQQE-AWEZNQCLSA-N 0 3 339.345 4.228 20 30 EIEDHN Cc1cc(CNCc2ccc(OCC#N)cc2)cc(C)c1OC(F)F ZINC000171769766 1045585369 /nfs/dbraw/zinc/58/53/69/1045585369.db2.gz PMJRMSJXOUQNOM-UHFFFAOYSA-N 0 3 346.377 4.097 20 30 EIEDHN CCN(CC)c1ccc(C=NNCc2cccc3cccnc32)cc1 ZINC000915961542 1045856490 /nfs/dbraw/zinc/85/64/90/1045856490.db2.gz AGCMSLHZJOTGIU-UHFFFAOYSA-N 0 3 332.451 4.205 20 30 EIEDHN N#CC(C(=O)CCCOc1ccccc1)c1nccc2ccccc21 ZINC000792099319 1045856823 /nfs/dbraw/zinc/85/68/23/1045856823.db2.gz HUNQSRNDTQIOJZ-IBGZPJMESA-N 0 3 330.387 4.270 20 30 EIEDHN CC[C@@H](Oc1ccccc1F)C(=O)C(C#N)c1nccc2ccccc21 ZINC000792106027 1045857677 /nfs/dbraw/zinc/85/76/77/1045857677.db2.gz OXEIKGJJRJKMLN-SJLPKXTDSA-N 0 3 348.377 4.408 20 30 EIEDHN N#CC(C(=O)CCc1cccc(F)c1F)c1nccc2ccccc21 ZINC000792097959 1045864581 /nfs/dbraw/zinc/86/45/81/1045864581.db2.gz ZGWBPZOJYMHDNL-MRXNPFEDSA-N 0 3 336.341 4.322 20 30 EIEDHN CN(Cc1ccc(OCc2cccnc2)cc1)Cc1cccc(C#N)c1 ZINC000139229825 1046066795 /nfs/dbraw/zinc/06/67/95/1046066795.db2.gz RNABTFAAFQGDDT-UHFFFAOYSA-N 0 3 343.430 4.164 20 30 EIEDHN CC[NH+](CC)Cc1cc(C(C)=NNc2ccc(F)cc2F)ccc1[O-] ZINC000916540228 1046072341 /nfs/dbraw/zinc/07/23/41/1046072341.db2.gz QPHKKUJMUKNAAH-UHFFFAOYSA-N 0 3 347.409 4.348 20 30 EIEDHN Cc1cc(C)cc(C2=CCN(Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000769962469 1046110907 /nfs/dbraw/zinc/11/09/07/1046110907.db2.gz RDLGDKICNRAVGX-UHFFFAOYSA-N 0 3 332.447 4.495 20 30 EIEDHN N#Cc1cccc(CNCc2ccc(Br)c(Cl)c2)c1 ZINC000192165778 1046213095 /nfs/dbraw/zinc/21/30/95/1046213095.db2.gz YWVMZXWLYGEFPH-UHFFFAOYSA-N 0 3 335.632 4.264 20 30 EIEDHN N#CC(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1nc2ccccc2[nH]1 ZINC000916844621 1046389018 /nfs/dbraw/zinc/38/90/18/1046389018.db2.gz QMFAJGQYWULSBP-QJPTWQEYSA-N 0 3 335.329 4.108 20 30 EIEDHN Cc1oc(NC(=O)CN[C@@H](CC(C)C)c2ccccc2)c(C#N)c1C ZINC000192513327 1046391570 /nfs/dbraw/zinc/39/15/70/1046391570.db2.gz VYXJGXZYQHRMJE-SFHVURJKSA-N 0 3 339.439 4.084 20 30 EIEDHN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000916882447 1046418343 /nfs/dbraw/zinc/41/83/43/1046418343.db2.gz FGHBZYMHCXWYLL-OAGGEKHMSA-N 0 3 344.842 4.226 20 30 EIEDHN C=C(C)COc1cc(CNCc2cc(C)cc(OC)c2)ccc1OC ZINC000127159826 1046621532 /nfs/dbraw/zinc/62/15/32/1046621532.db2.gz PWEVFCDHAYXBOY-UHFFFAOYSA-N 0 3 341.451 4.257 20 30 EIEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000747205093 1046725320 /nfs/dbraw/zinc/72/53/20/1046725320.db2.gz PKPDGTNKWVOYAG-UKRRQHHQSA-N 0 3 330.478 4.436 20 30 EIEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)c2ccccc21 ZINC000917116403 1046739088 /nfs/dbraw/zinc/73/90/88/1046739088.db2.gz PADPXANEDCDLHQ-HIFRSBDPSA-N 0 3 347.443 4.096 20 30 EIEDHN N#Cc1cccc([N+](=O)[O-])c1CN[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000459515176 1046741538 /nfs/dbraw/zinc/74/15/38/1046741538.db2.gz PXJANKMRTYSYST-FZMZJTMJSA-N 0 3 341.333 4.067 20 30 EIEDHN CSC1(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)CCC1 ZINC000786327108 1046829423 /nfs/dbraw/zinc/82/94/23/1046829423.db2.gz ZDFOSTMWFSXCTK-JTQLQIEISA-N 0 3 336.869 4.412 20 30 EIEDHN Cc1c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cnn1-c1ccccc1 ZINC000787025350 1046893249 /nfs/dbraw/zinc/89/32/49/1046893249.db2.gz GEPZJQDTHXMXPD-IVZQSRNASA-N 0 3 342.446 4.391 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2ccccc2)c1 ZINC000537103288 1046932427 /nfs/dbraw/zinc/93/24/27/1046932427.db2.gz RMPIMCZMPJYFFM-MOPGFXCFSA-N 0 3 349.478 4.289 20 30 EIEDHN C=CCC[C@H](NCC(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000537131832 1046974688 /nfs/dbraw/zinc/97/46/88/1046974688.db2.gz CWTSELQTWRJNAU-HNNXBMFYSA-N 0 3 342.405 4.217 20 30 EIEDHN COc1ccc(CN(CC2(C#N)CC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000537290060 1047070879 /nfs/dbraw/zinc/07/08/79/1047070879.db2.gz IFALWTFMKBWKSF-SJLPKXTDSA-N 0 3 342.483 4.388 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N(CCCCC)[C@@H](C)CCC)CC1 ZINC000476039539 1047245614 /nfs/dbraw/zinc/24/56/14/1047245614.db2.gz GEBRRHSSMQIQPB-SFHVURJKSA-N 0 3 337.552 4.417 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000788641297 1047257906 /nfs/dbraw/zinc/25/79/06/1047257906.db2.gz CQDWWWZTSZVLTN-UZLBHIALSA-N 0 3 336.435 4.240 20 30 EIEDHN O=C1C=COC2(CCN(Cc3cc(-c4ccccc4)cs3)CC2)C1 ZINC000897602649 1047352759 /nfs/dbraw/zinc/35/27/59/1047352759.db2.gz TYNLXEIVPLOFMF-UHFFFAOYSA-N 0 3 339.460 4.253 20 30 EIEDHN CC(=NNCCc1ccccn1)c1ccc(N2CCCCCC2)cc1 ZINC000789103391 1047373949 /nfs/dbraw/zinc/37/39/49/1047373949.db2.gz VGOBXDFKPIAHPK-UHFFFAOYSA-N 0 3 336.483 4.018 20 30 EIEDHN Cc1cc(C#N)ccc1CN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789360895 1047408451 /nfs/dbraw/zinc/40/84/51/1047408451.db2.gz AXNSKKGRJLRVNP-INIZCTEOSA-N 0 3 349.434 4.016 20 30 EIEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(-n2cccn2)c(F)c1 ZINC000556242890 1047611175 /nfs/dbraw/zinc/61/11/75/1047611175.db2.gz XIRKJJVSWDAJAG-XOBRGWDASA-N 0 3 346.409 4.221 20 30 EIEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000556610154 1047840137 /nfs/dbraw/zinc/84/01/37/1047840137.db2.gz QXCRNGVXUZOZBN-CQSZACIVSA-N 0 3 345.446 4.128 20 30 EIEDHN C[C@@H]1CCCCN1c1cccc(N[C@@H]2CCc3c2cccc3C#N)n1 ZINC001171064718 1047923290 /nfs/dbraw/zinc/92/32/90/1047923290.db2.gz LSNXISGIYSDUFV-DNVCBOLYSA-N 0 3 332.451 4.431 20 30 EIEDHN N#CCc1ccc(CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000808788902 1048109966 /nfs/dbraw/zinc/10/99/66/1048109966.db2.gz XZBKSYJXECOMNH-XZOQPEGZSA-N 0 3 342.442 4.317 20 30 EIEDHN O=C1C=C2CN(Cc3c(Cl)cc(Cl)cc3Cl)CCC2S1 ZINC001143797359 1048209636 /nfs/dbraw/zinc/20/96/36/1048209636.db2.gz HURTVBISWHVYKE-ZDUSSCGKSA-N 0 3 348.682 4.421 20 30 EIEDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCCCC3=O)cc2)ccc1C#N ZINC000810132223 1048640796 /nfs/dbraw/zinc/64/07/96/1048640796.db2.gz JVHARHMGSZPEEV-KRWDZBQOSA-N 0 3 347.462 4.234 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)NCc1ccc(F)cc1Br ZINC001171189779 1048687457 /nfs/dbraw/zinc/68/74/57/1048687457.db2.gz LMTIIRSBPCRYHX-GFCCVEGCSA-N 0 3 347.231 4.181 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H](CO)c1ccc(Cl)cc1Cl ZINC001171190332 1048693840 /nfs/dbraw/zinc/69/38/40/1048693840.db2.gz SDKHEODUTMQDHE-KPZWWZAWSA-N 0 3 349.261 4.119 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc(Cl)c(F)c3)nc21 ZINC000810590636 1048824184 /nfs/dbraw/zinc/82/41/84/1048824184.db2.gz RAIKPLLOFFTAPD-LBPRGKRZSA-N 0 3 341.773 4.083 20 30 EIEDHN COc1ccc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000076606471 1048909628 /nfs/dbraw/zinc/90/96/28/1048909628.db2.gz IRMSATLPVMMNSM-CYBMUJFWSA-N 0 3 342.807 4.448 20 30 EIEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001170860483 1048932633 /nfs/dbraw/zinc/93/26/33/1048932633.db2.gz IVJNVHHEYCHQSA-UXHICEINSA-N 0 3 338.426 4.375 20 30 EIEDHN Cc1ccc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1[N+](=O)[O-] ZINC000175056210 1049073912 /nfs/dbraw/zinc/07/39/12/1049073912.db2.gz VLWVPBVPMFNDHR-GJZGRUSLSA-N 0 3 339.395 4.045 20 30 EIEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3=O)cc2)cc1 ZINC000811520005 1049106842 /nfs/dbraw/zinc/10/68/42/1049106842.db2.gz IMCZXYYSOSZTHA-KRWDZBQOSA-N 0 3 332.447 4.036 20 30 EIEDHN C=CCN(Cc1cccs1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812311422 1049423490 /nfs/dbraw/zinc/42/34/90/1049423490.db2.gz CADBNJLQKQMXQP-INIZCTEOSA-N 0 3 341.398 4.489 20 30 EIEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(Cl)ccc1CC#N ZINC001170687367 1049588146 /nfs/dbraw/zinc/58/81/46/1049588146.db2.gz IFGLNUYJFQIEBP-ZDUSSCGKSA-N 0 3 336.826 4.278 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000237608471 1049658724 /nfs/dbraw/zinc/65/87/24/1049658724.db2.gz JIBKYYPMMYZWJN-ACJLOTCBSA-N 0 3 342.439 4.443 20 30 EIEDHN CC[C@H](OC1CCCC1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215019 1049710469 /nfs/dbraw/zinc/71/04/69/1049710469.db2.gz HGPSBLDCEXYBMO-HIFRSBDPSA-N 0 3 340.345 4.014 20 30 EIEDHN CCCCN(CCC#N)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172094062 1049849007 /nfs/dbraw/zinc/84/90/07/1049849007.db2.gz JDVYKWRJAYQHDE-PIIMJCKOSA-N 0 3 349.519 4.323 20 30 EIEDHN Cc1ccc([C@]2(C)CN([C@@H](C)Cc3ccc(C#N)cc3)CCO2)cc1 ZINC001172319535 1049877613 /nfs/dbraw/zinc/87/76/13/1049877613.db2.gz OAZFDLSEGQFGKO-AVRDEDQJSA-N 0 3 334.463 4.045 20 30 EIEDHN CC(C)C1=NCCc2ccc(NC(=N)c3ccc4ccccc4n3)cc21 ZINC001171048871 1049903806 /nfs/dbraw/zinc/90/38/06/1049903806.db2.gz XVMVRJHJEPENMC-UHFFFAOYSA-N 0 3 342.446 4.273 20 30 EIEDHN CC(C)C[C@H]1CN([C@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172501903 1049923425 /nfs/dbraw/zinc/92/34/25/1049923425.db2.gz SDZHIOKMYZOHQX-SJORKVTESA-N 0 3 337.508 4.036 20 30 EIEDHN C[C@@H](CCCC#N)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC001172503927 1049924681 /nfs/dbraw/zinc/92/46/81/1049924681.db2.gz CTFYYBHHRAZMNS-AWEZNQCLSA-N 0 3 340.298 4.193 20 30 EIEDHN Cc1cccc([C@@H](NCC(=O)Nc2sccc2C#N)C(C)(C)C)c1 ZINC000180796066 1049943151 /nfs/dbraw/zinc/94/31/51/1049943151.db2.gz BDIRCUGKYJFPFT-QGZVFWFLSA-N 0 3 341.480 4.244 20 30 EIEDHN Cc1cccc([C@H](NCC(=O)Nc2sccc2C#N)C(C)(C)C)c1 ZINC000180796046 1049943638 /nfs/dbraw/zinc/94/36/38/1049943638.db2.gz BDIRCUGKYJFPFT-KRWDZBQOSA-N 0 3 341.480 4.244 20 30 EIEDHN CCC[C@@H]1CN(c2cccc(F)c2C#N)CCN1Cc1ccccc1 ZINC001185930986 1050196678 /nfs/dbraw/zinc/19/66/78/1050196678.db2.gz PWAIETSBHZGTOL-GOSISDBHSA-N 0 3 337.442 4.188 20 30 EIEDHN CCC[C@H]1CN(c2cc(F)ccc2C#N)CCN1Cc1ccccc1 ZINC001185931296 1050196896 /nfs/dbraw/zinc/19/68/96/1050196896.db2.gz TWGJKBLSBJXXEP-FQEVSTJZSA-N 0 3 337.442 4.188 20 30 EIEDHN Cc1cc(CNCc2cccc(C(=O)OC(C)(C)C)c2)ccc1C#N ZINC000618195864 1050305408 /nfs/dbraw/zinc/30/54/08/1050305408.db2.gz LPDPUAHQUIUBCJ-UHFFFAOYSA-N 0 3 336.435 4.112 20 30 EIEDHN N#CCC1CCC(NCc2c(F)cccc2Br)CC1 ZINC001173333718 1050423287 /nfs/dbraw/zinc/42/32/87/1050423287.db2.gz PVZFWZPVRCBFSB-UHFFFAOYSA-N 0 3 325.225 4.150 20 30 EIEDHN N#CCC1CCC(N2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001173336808 1050425742 /nfs/dbraw/zinc/42/57/42/1050425742.db2.gz MQOXVNBDPZVZNL-UHFFFAOYSA-N 0 3 336.414 4.071 20 30 EIEDHN Cc1[nH]nc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C ZINC001178462323 1050474834 /nfs/dbraw/zinc/47/48/34/1050474834.db2.gz BJBBMZJCMHEBQO-MRXNPFEDSA-N 0 3 330.435 4.416 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(F)c(Br)c1 ZINC000618741108 1050500455 /nfs/dbraw/zinc/50/04/55/1050500455.db2.gz CKAXLGYWXMRAQW-QGZVFWFLSA-N 0 3 345.215 4.237 20 30 EIEDHN C=C(C)COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000618741211 1050501394 /nfs/dbraw/zinc/50/13/94/1050501394.db2.gz BVFJZXBHOWOSHG-FQEVSTJZSA-N 0 3 348.446 4.299 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(F)c(C(F)(F)F)c1 ZINC000618741041 1050501532 /nfs/dbraw/zinc/50/15/32/1050501532.db2.gz BWIYOKSLVTTYRR-QGZVFWFLSA-N 0 3 334.316 4.493 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(OCC(F)(F)F)cc1 ZINC000618743064 1050503521 /nfs/dbraw/zinc/50/35/21/1050503521.db2.gz VNZCVXWQYDNHJP-GOSISDBHSA-N 0 3 346.352 4.276 20 30 EIEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000618802752 1050520359 /nfs/dbraw/zinc/52/03/59/1050520359.db2.gz FPWCDPSCXDGGLT-AUUYWEPGSA-N 0 3 334.419 4.058 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618805308 1050533198 /nfs/dbraw/zinc/53/31/98/1050533198.db2.gz GAIPHZGJGTXYMP-WOJBJXKFSA-N 0 3 333.391 4.121 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCC[C@@]1(C)C[C@]1(F)Cl ZINC001179095916 1050631538 /nfs/dbraw/zinc/63/15/38/1050631538.db2.gz QDOWQEPBSXNSQA-JKSUJKDBSA-N 0 3 330.230 4.146 20 30 EIEDHN CN(C)Cc1ccccc1Nc1c(Br)cccc1C#N ZINC001173931287 1050652126 /nfs/dbraw/zinc/65/21/26/1050652126.db2.gz CVIVQVXPLYCKQE-UHFFFAOYSA-N 0 3 330.229 4.126 20 30 EIEDHN CN(C)Cc1ccccc1Nc1cccc(C#N)c1Br ZINC001173930990 1050652435 /nfs/dbraw/zinc/65/24/35/1050652435.db2.gz TXRCMCFDJKEVNS-UHFFFAOYSA-N 0 3 330.229 4.126 20 30 EIEDHN CC(C)(F)CNCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC001179316476 1050672927 /nfs/dbraw/zinc/67/29/27/1050672927.db2.gz WYYZTLJUHFVXCC-LLVKDONJSA-N 0 3 347.274 4.396 20 30 EIEDHN N#Cc1ccc(NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000619511207 1050799103 /nfs/dbraw/zinc/79/91/03/1050799103.db2.gz ZUTKHQUTMVUSMB-LJQANCHMSA-N 0 3 325.843 4.461 20 30 EIEDHN N#C[C@@H]1CC[C@@H](N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)C1 ZINC000619672584 1050848810 /nfs/dbraw/zinc/84/88/10/1050848810.db2.gz ALVTVZQVFGCBGL-XFQXTVEOSA-N 0 3 348.425 4.199 20 30 EIEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(-n2ccnc2)cc1 ZINC000619754578 1050883790 /nfs/dbraw/zinc/88/37/90/1050883790.db2.gz DSKRKHOJJHIWIK-CQSZACIVSA-N 0 3 336.826 4.248 20 30 EIEDHN N#Cc1ccc(CNCc2ccc(OCC(F)F)cc2)cc1Cl ZINC000619748609 1050893773 /nfs/dbraw/zinc/89/37/73/1050893773.db2.gz OSBQFPSCRMLVIA-UHFFFAOYSA-N 0 3 336.769 4.145 20 30 EIEDHN CCCC(C)(C)N(CC(=O)N[C@](C)(C#N)C(C)C)Cc1cccs1 ZINC000619815710 1050919148 /nfs/dbraw/zinc/91/91/48/1050919148.db2.gz NVWJWAZTFKFSDN-LJQANCHMSA-N 0 3 349.544 4.183 20 30 EIEDHN C=CCN(Cc1[nH]cc(C(=O)OC)c1C1CC1)CC1CCCCC1 ZINC001180291482 1050959238 /nfs/dbraw/zinc/95/92/38/1050959238.db2.gz BXDRROVFLCAUMB-UHFFFAOYSA-N 0 3 330.472 4.247 20 30 EIEDHN Cc1ccc(CC(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1 ZINC000775238527 1050970805 /nfs/dbraw/zinc/97/08/05/1050970805.db2.gz MRWJOZWDZQBOMC-INIZCTEOSA-N 0 3 347.399 4.002 20 30 EIEDHN C=C(C)[C@H](NCc1ccc(OCC)cc1O)c1ccc(F)c(F)c1 ZINC000775318365 1051059346 /nfs/dbraw/zinc/05/93/46/1051059346.db2.gz GGDZNHPFUCWEFF-IBGZPJMESA-N 0 3 333.378 4.476 20 30 EIEDHN C[C@@H](N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC001174653242 1051126882 /nfs/dbraw/zinc/12/68/82/1051126882.db2.gz RKKLJMBYTMKWIY-XHBKTUGNSA-N 0 3 346.352 4.143 20 30 EIEDHN N#Cc1ccccc1-c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000773429487 1051254714 /nfs/dbraw/zinc/25/47/14/1051254714.db2.gz ULZWOOXCYFFHJN-UHFFFAOYSA-N 0 3 340.426 4.450 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000775407290 1051262014 /nfs/dbraw/zinc/26/20/14/1051262014.db2.gz DMOTYAAXBNQCLH-DENIHFKCSA-N 0 3 345.446 4.406 20 30 EIEDHN C=C(CNCc1ccccc1OCc1ccncc1)c1ccccc1 ZINC000620756497 1051272660 /nfs/dbraw/zinc/27/26/60/1051272660.db2.gz FNZJWZLCVKEBIE-UHFFFAOYSA-N 0 3 330.431 4.464 20 30 EIEDHN C=C(CNCc1cc(Br)ccc1OC)c1ccccc1 ZINC000620756708 1051273305 /nfs/dbraw/zinc/27/33/05/1051273305.db2.gz OHENPXANZBSUMM-UHFFFAOYSA-N 0 3 332.241 4.261 20 30 EIEDHN C=C(CNCc1ccccc1OCc1cccnc1)c1ccccc1 ZINC000620756661 1051273416 /nfs/dbraw/zinc/27/34/16/1051273416.db2.gz KWBBYZUHOCMJEB-UHFFFAOYSA-N 0 3 330.431 4.464 20 30 EIEDHN CCC[C@@]1(COC)CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000773952751 1051340403 /nfs/dbraw/zinc/34/04/03/1051340403.db2.gz BPYNNLGIJYVYBM-SFHVURJKSA-N 0 3 336.863 4.023 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(Br)c(C)c2)n1 ZINC000156204901 1051507339 /nfs/dbraw/zinc/50/73/39/1051507339.db2.gz UCMWGLWTLJYCQQ-LLVKDONJSA-N 0 3 335.226 4.013 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(Br)c(C)c2)n1 ZINC000156205025 1051508069 /nfs/dbraw/zinc/50/80/69/1051508069.db2.gz UCMWGLWTLJYCQQ-NSHDSACASA-N 0 3 335.226 4.013 20 30 EIEDHN C[C@H](CC(C)(C)C#N)N[C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001182665304 1051663716 /nfs/dbraw/zinc/66/37/16/1051663716.db2.gz GENXSYBVRYJUIN-JLSDUUJJSA-N 0 3 342.483 4.475 20 30 EIEDHN COc1ccc([C@@H](NCC#Cc2ccccc2Cl)C2CC2)cc1 ZINC001192585606 1051771601 /nfs/dbraw/zinc/77/16/01/1051771601.db2.gz XSXXTMTXVKJBBU-FQEVSTJZSA-N 0 3 325.839 4.441 20 30 EIEDHN CCN1CCN(c2ccc(Nc3cccc(C(C)(C)C#N)c3)cc2)CC1 ZINC001175781151 1051785307 /nfs/dbraw/zinc/78/53/07/1051785307.db2.gz CXHHTZOIDRYFRI-UHFFFAOYSA-N 0 3 348.494 4.373 20 30 EIEDHN C#CCOc1cccc(Cl)c1CN1CC[C@H](c2ccc(O)cc2)C1 ZINC001183155946 1051806227 /nfs/dbraw/zinc/80/62/27/1051806227.db2.gz JVACPVYKLSKYGB-INIZCTEOSA-N 0 3 341.838 4.047 20 30 EIEDHN C[C@H]1CCC[C@H](C2CN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)C1 ZINC001183443831 1051844797 /nfs/dbraw/zinc/84/47/97/1051844797.db2.gz JXLXXHLDAONQRU-LPHOPBHVSA-N 0 3 348.494 4.217 20 30 EIEDHN C[C@H](NCC(=O)Nc1sccc1C#N)c1cc2ccccc2s1 ZINC000184373216 1051928033 /nfs/dbraw/zinc/92/80/33/1051928033.db2.gz INHZPDGRLHMWMJ-NSHDSACASA-N 0 3 341.461 4.124 20 30 EIEDHN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001193516835 1051942957 /nfs/dbraw/zinc/94/29/57/1051942957.db2.gz IJPQYWLTFDRQKM-HXUWFJFHSA-N 0 3 342.870 4.375 20 30 EIEDHN C=CCN(C)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001193607038 1051964958 /nfs/dbraw/zinc/96/49/58/1051964958.db2.gz SEFWWEHWBXIAQV-SFHVURJKSA-N 0 3 346.268 4.267 20 30 EIEDHN N#Cc1cncc(CN2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001194262521 1052119282 /nfs/dbraw/zinc/11/92/82/1052119282.db2.gz OPYHEJCCYMAVFE-KRWDZBQOSA-N 0 3 345.368 4.352 20 30 EIEDHN Cc1c(Cl)cccc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001194300861 1052123792 /nfs/dbraw/zinc/12/37/92/1052123792.db2.gz QXTFORNSQBTAQG-UHFFFAOYSA-N 0 3 339.870 4.232 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(NC(=O)C(C)C)cc1 ZINC000921510534 1052876364 /nfs/dbraw/zinc/87/63/64/1052876364.db2.gz WVRRHTUPHKJLLW-UHFFFAOYSA-N 0 3 335.451 4.059 20 30 EIEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1COc2ccccc21 ZINC000185564073 1053018860 /nfs/dbraw/zinc/01/88/60/1053018860.db2.gz PGFKISBUNJNSGB-KDOFPFPSSA-N 0 3 345.364 4.211 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000765014091 1053413161 /nfs/dbraw/zinc/41/31/61/1053413161.db2.gz JTPBPIPIDLJXED-QGZVFWFLSA-N 0 3 332.325 4.234 20 30 EIEDHN N#Cc1ccc(CN[C@H]2CCc3c2cc(Br)cc3F)cc1 ZINC000765011656 1053418819 /nfs/dbraw/zinc/41/88/19/1053418819.db2.gz NMBBGYQINDUTBA-KRWDZBQOSA-N 0 3 345.215 4.237 20 30 EIEDHN C[C@H](CC(C)(C)C#N)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000851204469 1053437261 /nfs/dbraw/zinc/43/72/61/1053437261.db2.gz ADTAGZMXJLDIQJ-MRXNPFEDSA-N 0 3 328.456 4.158 20 30 EIEDHN C=CCN(CCC(C#N)(c1ccccc1)c1ccccc1)[C@H](C)COC ZINC001196048025 1053572263 /nfs/dbraw/zinc/57/22/63/1053572263.db2.gz LMFZDHRJBIDWDE-HXUWFJFHSA-N 0 3 348.490 4.409 20 30 EIEDHN C[C@]1(C#N)CCN(Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000853598960 1053688877 /nfs/dbraw/zinc/68/88/77/1053688877.db2.gz HMMWVWOQZBFTNL-QGZVFWFLSA-N 0 3 345.240 4.043 20 30 EIEDHN C[C@H]1CCCC[C@H]1OCCN1CCC(Nc2ccccc2C#N)CC1 ZINC001196535360 1053697113 /nfs/dbraw/zinc/69/71/13/1053697113.db2.gz KVDNGJTZOIGLTR-LAUBAEHRSA-N 0 3 341.499 4.030 20 30 EIEDHN Cc1cccc(C)c1OCCCN1CCc2c(CC#N)cccc2C1 ZINC001196622815 1053715249 /nfs/dbraw/zinc/71/52/49/1053715249.db2.gz LNZXZLCPKVTBOH-UHFFFAOYSA-N 0 3 334.463 4.197 20 30 EIEDHN CCCCN(CCCC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000867631022 1053841397 /nfs/dbraw/zinc/84/13/97/1053841397.db2.gz MYEXAHUYGHPJIJ-OAHLLOKOSA-N 0 3 343.496 4.375 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(Cl)cc2)ccc1OC ZINC000113348156 1053924608 /nfs/dbraw/zinc/92/46/08/1053924608.db2.gz DVYFUZCIOUTCJG-QGZVFWFLSA-N 0 3 344.842 4.319 20 30 EIEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1cc(Cl)cc(Cl)c1F ZINC001197611846 1053944911 /nfs/dbraw/zinc/94/49/11/1053944911.db2.gz WNVVWXQLAUGVIU-PWSUYJOCSA-N 0 3 345.245 4.228 20 30 EIEDHN C#CCOc1ccccc1CNC[C@@H](c1ccccc1)C(F)(F)F ZINC000776816165 1053945184 /nfs/dbraw/zinc/94/51/84/1053945184.db2.gz NROBLTBKJSYQKB-KRWDZBQOSA-N 0 3 333.353 4.134 20 30 EIEDHN C=CCOc1ccc(CNCc2cccc(O[C@H](C#N)CC)c2)cc1 ZINC000113961555 1054033457 /nfs/dbraw/zinc/03/34/57/1054033457.db2.gz ZVZWEERVQOXMRZ-IBGZPJMESA-N 0 3 336.435 4.222 20 30 EIEDHN N#Cc1cc(CN[C@H]2CCCc3cc(OC(F)F)ccc32)cs1 ZINC000921625601 1054178444 /nfs/dbraw/zinc/17/84/44/1054178444.db2.gz NSPPREMBVCMQCY-INIZCTEOSA-N 0 3 334.391 4.388 20 30 EIEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H](CO)c2ccccc2)cc1 ZINC000123663780 1054219063 /nfs/dbraw/zinc/21/90/63/1054219063.db2.gz HTBZLAVXDFUQIF-DNVCBOLYSA-N 0 3 331.843 4.202 20 30 EIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000338628192 1054271892 /nfs/dbraw/zinc/27/18/92/1054271892.db2.gz UOIYWJFKWVUIJV-LBPRGKRZSA-N 0 3 327.796 4.196 20 30 EIEDHN N#CC1(c2ccccc2)CCC(NCc2ncc(Cl)s2)CC1 ZINC000872116563 1054396366 /nfs/dbraw/zinc/39/63/66/1054396366.db2.gz SJTHUINEXNNHQA-UHFFFAOYSA-N 0 3 331.872 4.290 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045973 1054407844 /nfs/dbraw/zinc/40/78/44/1054407844.db2.gz FDZXENCPTBJEPU-MGPUTAFESA-N 0 3 333.435 4.045 20 30 EIEDHN N#Cc1cccc(O[C@H]2CCCN(Cc3c[nH]c4c3cccc4F)C2)c1 ZINC001137059346 1054442251 /nfs/dbraw/zinc/44/22/51/1054442251.db2.gz XPXXZPWJRGZXAP-SFHVURJKSA-N 0 3 349.409 4.222 20 30 EIEDHN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000776011867 1054445964 /nfs/dbraw/zinc/44/59/64/1054445964.db2.gz BYBWBDVSLGAMHI-RHSMWYFYSA-N 0 3 339.405 4.199 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(C(F)(F)F)s2)cc1 ZINC000873156302 1054494602 /nfs/dbraw/zinc/49/46/02/1054494602.db2.gz UEZDQOYEBHDTKU-NSHDSACASA-N 0 3 340.370 4.348 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCc4c3cccc4Cl)nc21 ZINC000776090625 1054537875 /nfs/dbraw/zinc/53/78/75/1054537875.db2.gz ODJDDWISAHXRSP-CABCVRRESA-N 0 3 349.821 4.431 20 30 EIEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CCc4c3cccc4Cl)[nH]c21 ZINC000776090625 1054537892 /nfs/dbraw/zinc/53/78/92/1054537892.db2.gz ODJDDWISAHXRSP-CABCVRRESA-N 0 3 349.821 4.431 20 30 EIEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CCOCCC#N ZINC000339018868 1054686270 /nfs/dbraw/zinc/68/62/70/1054686270.db2.gz JLJKHZPMXSENJD-OAHLLOKOSA-N 0 3 329.469 4.042 20 30 EIEDHN N#CC(C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1nc2ccccc2[nH]1 ZINC000860450198 1054813462 /nfs/dbraw/zinc/81/34/62/1054813462.db2.gz OIVDTSURLQONPW-ZACQAIPSSA-N 0 3 329.403 4.323 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860449893 1054813872 /nfs/dbraw/zinc/81/38/72/1054813872.db2.gz ILQYYENTOCFHOB-KURKYZTESA-N 0 3 343.430 4.333 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2oc(C(F)F)cc2C)cc1 ZINC000860469735 1054818424 /nfs/dbraw/zinc/81/84/24/1054818424.db2.gz KSLVKPZNTNVSDK-CYBMUJFWSA-N 0 3 346.333 4.049 20 30 EIEDHN N#Cc1cc(F)ccc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201477997 1054830661 /nfs/dbraw/zinc/83/06/61/1054830661.db2.gz QAFSPLNTVMIGIG-UXHICEINSA-N 0 3 333.410 4.430 20 30 EIEDHN C=CC[C@H](CO)CNCc1cc(Cl)c(OC(C)C)cc1Cl ZINC001201760516 1054898330 /nfs/dbraw/zinc/89/83/30/1054898330.db2.gz GURXTZIVRWHNNU-LBPRGKRZSA-N 0 3 332.271 4.055 20 30 EIEDHN CCCCCCCN1Cc2cn(CC3CC3)nc2[C@@H](COCC)C1 ZINC001201762743 1054899260 /nfs/dbraw/zinc/89/92/60/1054899260.db2.gz SHJNSEFWJFLZIP-LJQANCHMSA-N 0 3 333.520 4.199 20 30 EIEDHN CCc1ccc2c(c1)[C@H](NCc1ccc(C3(C#N)CC3)cc1)CCO2 ZINC001201920803 1054951850 /nfs/dbraw/zinc/95/18/50/1054951850.db2.gz USBYWENQYILELB-HXUWFJFHSA-N 0 3 332.447 4.418 20 30 EIEDHN C=CCOCc1nn(C)c2c1CN(CC[C@H](C)CCC=C(C)C)CC2 ZINC001201974187 1054974290 /nfs/dbraw/zinc/97/42/90/1054974290.db2.gz WLPUCNYMFDGYPS-GOSISDBHSA-N 0 3 345.531 4.253 20 30 EIEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000877489810 1055064682 /nfs/dbraw/zinc/06/46/82/1055064682.db2.gz SLORITYAWBXSTM-WMLDXEAASA-N 0 3 329.806 4.172 20 30 EIEDHN N#Cc1cnc(Cl)c(CN[C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000877555624 1055079414 /nfs/dbraw/zinc/07/94/14/1055079414.db2.gz XXHYPGOUATUEBA-MQMHXKEQSA-N 0 3 332.234 4.296 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccccc1 ZINC000112515243 1055232580 /nfs/dbraw/zinc/23/25/80/1055232580.db2.gz BGYPESRPBYKHOF-HZPDHXFCSA-N 0 3 328.481 4.002 20 30 EIEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000127175620 1055337769 /nfs/dbraw/zinc/33/77/69/1055337769.db2.gz XXLLDWQOEJDZGD-OALUTQOASA-N 0 3 326.827 4.082 20 30 EIEDHN CN(Cc1cc(C#N)ccc1F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273420790 1055805031 /nfs/dbraw/zinc/80/50/31/1055805031.db2.gz JTZRCEDCZJRZTI-AZUAARDMSA-N 0 3 342.389 4.189 20 30 EIEDHN N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)c(C(F)(F)F)c1 ZINC000301163285 1055902063 /nfs/dbraw/zinc/90/20/63/1055902063.db2.gz GSHIQMJTVGCSNF-INIZCTEOSA-N 0 3 349.356 4.419 20 30 EIEDHN C[C@@H]1CCc2c(C(=O)C(C#N)c3nc4ccccc4[nH]3)csc2C1 ZINC000072591291 1056432676 /nfs/dbraw/zinc/43/26/76/1056432676.db2.gz XZYMQJQEQNHTSI-YPMHNXCESA-N 0 3 335.432 4.239 20 30 EIEDHN CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934723 1056796715 /nfs/dbraw/zinc/79/67/15/1056796715.db2.gz SLWSBAWIHXJGGM-DLBZAZTESA-N 0 3 349.478 4.131 20 30 EIEDHN CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934725 1056797596 /nfs/dbraw/zinc/79/75/96/1056797596.db2.gz SLWSBAWIHXJGGM-IRXDYDNUSA-N 0 3 349.478 4.131 20 30 EIEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1OC(F)F ZINC000075755780 1056810669 /nfs/dbraw/zinc/81/06/69/1056810669.db2.gz IWGNYYBANLMBIN-GFCCVEGCSA-N 0 3 332.350 4.019 20 30 EIEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000063558967 1056819425 /nfs/dbraw/zinc/81/94/25/1056819425.db2.gz FSXSBLANWGDYOO-ZDUSSCGKSA-N 0 3 334.341 4.350 20 30 EIEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H](Cc2ccccc2)C1 ZINC000741791666 1058373852 /nfs/dbraw/zinc/37/38/52/1058373852.db2.gz WWIJTYJDWBGFIC-QGZVFWFLSA-N 0 3 340.854 4.307 20 30 EIEDHN CC(C)CN(Cc1cc(C#N)ccc1F)C[C@@H](O)c1ccc(F)cc1 ZINC000741792318 1058375466 /nfs/dbraw/zinc/37/54/66/1058375466.db2.gz ZHJULYZOXMOWPQ-HXUWFJFHSA-N 0 3 344.405 4.028 20 30 EIEDHN C#CCN(CCC1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000743848048 1059149111 /nfs/dbraw/zinc/14/91/11/1059149111.db2.gz MVCSHRRPHYEKFD-MRXNPFEDSA-N 0 3 334.257 4.008 20 30 EIEDHN CCS[C@H]1CC[C@H](N(C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743869125 1059181995 /nfs/dbraw/zinc/18/19/95/1059181995.db2.gz LSCYMGCTQGEDOK-HOTGVXAUSA-N 0 3 338.904 4.348 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cccc3cccnc32)c([O-])c1 ZINC000745012838 1059692366 /nfs/dbraw/zinc/69/23/66/1059692366.db2.gz ORRTXRIUEKSRHW-HMAPJEAMSA-N 0 3 333.435 4.406 20 30 EIEDHN COc1ccc(C#N)cc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000746450994 1060341447 /nfs/dbraw/zinc/34/14/47/1060341447.db2.gz PLPVFKKPWGSRMV-UHFFFAOYSA-N 0 3 337.467 4.043 20 30 EIEDHN COc1ccc(C#N)cc1CN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000746460197 1060356168 /nfs/dbraw/zinc/35/61/68/1060356168.db2.gz FWNUCBYVOLIWBV-UHFFFAOYSA-N 0 3 345.446 4.428 20 30 EIEDHN C=CCN(Cc1ccccc1)Cc1ccc(OCc2nccn2C)cc1 ZINC000532899553 1032389207 /nfs/dbraw/zinc/38/92/07/1032389207.db2.gz KONYIIXTYZSLKZ-UHFFFAOYSA-N 0 3 347.462 4.187 20 30 EIEDHN CCCN(CC(=O)Nc1sccc1C#N)[C@@H](CC)c1ccccc1 ZINC000532929702 1032394221 /nfs/dbraw/zinc/39/42/21/1032394221.db2.gz PIPHKDVPNPNWAW-KRWDZBQOSA-N 0 3 341.480 4.422 20 30 EIEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1cccc(C(F)(F)F)c1 ZINC000585766686 1032398569 /nfs/dbraw/zinc/39/85/69/1032398569.db2.gz DVMDXDQFUCFNGN-LBPRGKRZSA-N 0 3 344.340 4.076 20 30 EIEDHN COc1ccc(CC[C@H]2CCCCN2CC2(C#N)CCC2)cc1OC ZINC000450341137 1032431360 /nfs/dbraw/zinc/43/13/60/1032431360.db2.gz YYJUSQHFLYCLSV-GOSISDBHSA-N 0 3 342.483 4.185 20 30 EIEDHN CCCO[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177153012 1032488344 /nfs/dbraw/zinc/48/83/44/1032488344.db2.gz GZMNAFQMQDPPJZ-SFHVURJKSA-N 0 3 339.401 4.338 20 30 EIEDHN C[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(OCC#N)cc1 ZINC000245900457 1032533693 /nfs/dbraw/zinc/53/36/93/1032533693.db2.gz NUZMHHPOUIIEGT-DQLDELGASA-N 0 3 336.435 4.160 20 30 EIEDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ccc(C#N)cc1F ZINC000533446299 1032775914 /nfs/dbraw/zinc/77/59/14/1032775914.db2.gz RKSRASLCTZDKHI-KZULUSFZSA-N 0 3 332.806 4.217 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(Br)cc1 ZINC000165246630 1019998559 /nfs/dbraw/zinc/99/85/59/1019998559.db2.gz SYLQCVUAPTYCHN-CYBMUJFWSA-N 0 3 329.241 4.480 20 30 EIEDHN C#CCN(CCOc1ccc(Cl)c(F)c1)[C@H]1CCc2ccccc21 ZINC001167179448 1020490582 /nfs/dbraw/zinc/49/05/82/1020490582.db2.gz ZYNYFPYXBSCXAP-FQEVSTJZSA-N 0 3 343.829 4.481 20 30 EIEDHN CC[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000510252376 1020666127 /nfs/dbraw/zinc/66/61/27/1020666127.db2.gz JIESDWDCBIVVNF-GOSISDBHSA-N 0 3 343.854 4.450 20 30 EIEDHN C=CCN(CCc1ccccc1)Cc1cnn(Cc2ccccc2)c1 ZINC001167273946 1020750657 /nfs/dbraw/zinc/75/06/57/1020750657.db2.gz VWERXMZPAWEUJL-UHFFFAOYSA-N 0 3 331.463 4.162 20 30 EIEDHN COc1ccccc1/C=C/CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000237297764 1020763387 /nfs/dbraw/zinc/76/33/87/1020763387.db2.gz CJQJNDXENAHUNC-VMPITWQZSA-N 0 3 345.364 4.369 20 30 EIEDHN Cc1ccccc1CN1CCCN(c2c(Cl)cccc2C#N)CC1 ZINC000610273263 1020834010 /nfs/dbraw/zinc/83/40/10/1020834010.db2.gz KHXOWNIBCDZLAF-UHFFFAOYSA-N 0 3 339.870 4.232 20 30 EIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000069787407 1021024575 /nfs/dbraw/zinc/02/45/75/1021024575.db2.gz BRCJILTXAREEEE-OAHLLOKOSA-N 0 3 327.424 4.119 20 30 EIEDHN COc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000610345273 1021340771 /nfs/dbraw/zinc/34/07/71/1021340771.db2.gz ZAJUCGYKSZTOLB-LBPRGKRZSA-N 0 3 330.815 4.080 20 30 EIEDHN N#CC(C(=O)C=Cc1ccc2ccc(Cl)cc2n1)c1ccccn1 ZINC000255872141 1021388365 /nfs/dbraw/zinc/38/83/65/1021388365.db2.gz INJKUUUDUCNAOQ-HLRDLLSLSA-N 0 3 333.778 4.173 20 30 EIEDHN CC(C)[C@H](CC(F)(F)F)NCc1cc(Cl)ccc1OCC#N ZINC000782651776 1021438806 /nfs/dbraw/zinc/43/88/06/1021438806.db2.gz BNLCFDAXTAPOLG-ZDUSSCGKSA-N 0 3 334.769 4.309 20 30 EIEDHN CC[C@@]1(CN[C@H](C)c2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000580060141 1021585557 /nfs/dbraw/zinc/58/55/57/1021585557.db2.gz RPFKUVDQAHJGEE-VFNWGFHPSA-N 0 3 338.426 4.226 20 30 EIEDHN CCc1nc2cc(CNCc3ccc(C#N)c(C)c3)ccc2n1C1CC1 ZINC000548984702 1021686933 /nfs/dbraw/zinc/68/69/33/1021686933.db2.gz QNGUKUIECVDZCM-UHFFFAOYSA-N 0 3 344.462 4.404 20 30 EIEDHN C=CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC001167406767 1022065567 /nfs/dbraw/zinc/06/55/67/1022065567.db2.gz VSXNIEXHTKYPKH-IRXDYDNUSA-N 0 3 336.479 4.304 20 30 EIEDHN N#CCCCOc1cccc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000171246153 1022436680 /nfs/dbraw/zinc/43/66/80/1022436680.db2.gz ONLIMUIXLHEJSO-UHFFFAOYSA-N 0 3 346.377 4.260 20 30 EIEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(-c2cncnc2)cc1 ZINC000378449568 1022826422 /nfs/dbraw/zinc/82/64/22/1022826422.db2.gz GEVRDJLXGGICCM-HZPDHXFCSA-N 0 3 328.419 4.427 20 30 EIEDHN N#CC(C(=O)c1cncc2ccccc21)c1ccc(C(F)(F)F)cn1 ZINC000340890337 1022889577 /nfs/dbraw/zinc/88/95/77/1022889577.db2.gz ZBLPGGPSFHDBTI-AWEZNQCLSA-N 0 3 341.292 4.139 20 30 EIEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000162278535 1022973270 /nfs/dbraw/zinc/97/32/70/1022973270.db2.gz DEIGHYAJHUXESQ-HUUCEWRRSA-N 0 3 327.399 4.258 20 30 EIEDHN CCOc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1OCC ZINC000181386542 1023016785 /nfs/dbraw/zinc/01/67/85/1023016785.db2.gz XPWATHJLCIGIJZ-AWEZNQCLSA-N 0 3 342.414 4.346 20 30 EIEDHN CCCOc1cccc(CNCc2cccc(O[C@H](C#N)CC)c2)c1 ZINC000073012033 1023318162 /nfs/dbraw/zinc/31/81/62/1023318162.db2.gz NBYYTJQSEBCQPM-IBGZPJMESA-N 0 3 338.451 4.446 20 30 EIEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](CO)c3ccccc32)cc1Cl ZINC000376956938 1023341821 /nfs/dbraw/zinc/34/18/21/1023341821.db2.gz HYFOUEICDGZLMB-DNVCBOLYSA-N 0 3 343.854 4.215 20 30 EIEDHN C=CCOc1cccc(CN[C@@H]2CC(C)(C)Oc3ccc(N)cc32)c1 ZINC000415025317 1023397549 /nfs/dbraw/zinc/39/75/49/1023397549.db2.gz PTHUGHQGMWMNTR-LJQANCHMSA-N 0 3 338.451 4.226 20 30 EIEDHN C=CCN1CCC(NC(=O)N(CCCCCC)Cc2ccco2)CC1 ZINC000892857686 1023455124 /nfs/dbraw/zinc/45/51/24/1023455124.db2.gz GHWUANMAMKSUGA-UHFFFAOYSA-N 0 3 347.503 4.022 20 30 EIEDHN CN(Cc1cc(C#N)ccc1F)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132722 1023471713 /nfs/dbraw/zinc/47/17/13/1023471713.db2.gz MKFJUBSZVOMJQN-WIYYLYMNSA-N 0 3 338.426 4.297 20 30 EIEDHN Cn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)c(-c2cccs2)n1 ZINC000418151468 1023567129 /nfs/dbraw/zinc/56/71/29/1023567129.db2.gz XIGZGGCMHCEJTR-SFHVURJKSA-N 0 3 348.475 4.187 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1cccc(C#N)c1 ZINC000178176351 1023780215 /nfs/dbraw/zinc/78/02/15/1023780215.db2.gz MOFNZWNQVOLWKN-LSDHHAIUSA-N 0 3 348.450 4.254 20 30 EIEDHN C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(C#N)c1 ZINC000178177924 1023780955 /nfs/dbraw/zinc/78/09/55/1023780955.db2.gz WGBXYXVSHRPQFY-HOTGVXAUSA-N 0 3 333.435 4.097 20 30 EIEDHN C=CC[C@@H]1CC[C@H](N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)C1 ZINC000651751709 1023980578 /nfs/dbraw/zinc/98/05/78/1023980578.db2.gz FFHPNHCJKVTXRT-HYVNUMGLSA-N 0 3 326.444 4.163 20 30 EIEDHN CC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(C)cc1 ZINC000181705749 1024010414 /nfs/dbraw/zinc/01/04/14/1024010414.db2.gz QKYCCDMABOPXBI-KSSFIOAISA-N 0 3 339.439 4.144 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@@H](c3ccnn3C)C2)cc1Cl ZINC000510675859 1024214283 /nfs/dbraw/zinc/21/42/83/1024214283.db2.gz SYDUJUQJAVGPBX-MRXNPFEDSA-N 0 3 345.874 4.018 20 30 EIEDHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341757422 1024602061 /nfs/dbraw/zinc/60/20/61/1024602061.db2.gz JCHGAGGBDAOWFH-LHSJRXKWSA-N 0 3 333.435 4.245 20 30 EIEDHN COc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000341758517 1024617755 /nfs/dbraw/zinc/61/77/55/1024617755.db2.gz QMUVNRNKKRTLOP-VLIAUNLRSA-N 0 3 336.435 4.304 20 30 EIEDHN N#Cc1ccc(CN2CCC(Nc3ccc4scnc4c3)CC2)cc1 ZINC000190696009 1024674029 /nfs/dbraw/zinc/67/40/29/1024674029.db2.gz MQWVDFXSXCKQMU-UHFFFAOYSA-N 0 3 348.475 4.244 20 30 EIEDHN N#CC1(F)CCN(CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000510946967 1024863927 /nfs/dbraw/zinc/86/39/27/1024863927.db2.gz BVTNLFBNGRSZTB-UHFFFAOYSA-N 0 3 344.352 4.192 20 30 EIEDHN C=CCC[C@@H](NCC(=O)N(CC(F)(F)F)C(C)C)c1ccccc1 ZINC000341930374 1024999034 /nfs/dbraw/zinc/99/90/34/1024999034.db2.gz LOUGVRNCBZLBGB-MRXNPFEDSA-N 0 3 342.405 4.083 20 30 EIEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481378604 1025006797 /nfs/dbraw/zinc/00/67/97/1025006797.db2.gz LDLRRYXSZYUIGP-BFUOFWGJSA-N 0 3 344.842 4.086 20 30 EIEDHN COc1ccc(CN(C)Cc2ccccc2C(C)(C)C#N)cc1OC ZINC000610859123 1025072876 /nfs/dbraw/zinc/07/28/76/1025072876.db2.gz CFVVAKFUGNLLKA-UHFFFAOYSA-N 0 3 338.451 4.137 20 30 EIEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCC(C)(C)C ZINC000121697701 1025344430 /nfs/dbraw/zinc/34/44/30/1025344430.db2.gz SDBNYSONGKENKT-INIZCTEOSA-N 0 3 328.456 4.285 20 30 EIEDHN Cc1ccc(OC(F)F)c([C@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000539087712 1025803740 /nfs/dbraw/zinc/80/37/40/1025803740.db2.gz KTIJGTZNFDKNNS-AWEZNQCLSA-N 0 3 346.377 4.198 20 30 EIEDHN CCCCOc1ccc(CN2CCC(CCC#N)CC2)cc1OC ZINC000582063574 1026051152 /nfs/dbraw/zinc/05/11/52/1026051152.db2.gz ZUECNRATZUWURC-UHFFFAOYSA-N 0 3 330.472 4.390 20 30 EIEDHN COc1cc(CN[C@H](C)c2ccc(Br)cc2)ccc1C#N ZINC000234949778 1026215192 /nfs/dbraw/zinc/21/51/92/1026215192.db2.gz OSVHPODWHSIRSX-GFCCVEGCSA-N 0 3 345.240 4.180 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Cl)cccc1OC(F)F ZINC000684767926 1026226025 /nfs/dbraw/zinc/22/60/25/1026226025.db2.gz VAEWXXLOPDXTLV-NHYWBVRUSA-N 0 3 331.790 4.012 20 30 EIEDHN CC(C)Sc1cc(Br)ccc1CNCCCC#N ZINC000344304510 1026233512 /nfs/dbraw/zinc/23/35/12/1026233512.db2.gz NOEROIKSJUTDEO-UHFFFAOYSA-N 0 3 327.291 4.343 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C=CSc1ccccc1 ZINC000255503010 1026544889 /nfs/dbraw/zinc/54/48/89/1026544889.db2.gz HEGSCTBLJHNBCB-QYMJWVLRSA-N 0 3 333.416 4.056 20 30 EIEDHN C=CC(C)(C)CC(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 ZINC000888937774 1026548621 /nfs/dbraw/zinc/54/86/21/1026548621.db2.gz VJVIPURFUTYCIH-UHFFFAOYSA-N 0 3 346.540 4.438 20 30 EIEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(Oc3ccccc3F)c2)C1 ZINC000279619354 1026550150 /nfs/dbraw/zinc/55/01/50/1026550150.db2.gz YDVXDMJKZAJZES-GDBMZVCRSA-N 0 3 325.387 4.185 20 30 EIEDHN C=CCC(C)(C)c1noc(-c2ccc(CN3CCSCC3)cc2)n1 ZINC000560021439 1026625255 /nfs/dbraw/zinc/62/52/55/1026625255.db2.gz AKYJKJAVLYNPKC-UHFFFAOYSA-N 0 3 343.496 4.139 20 30 EIEDHN CC[C@@H](C)[C@H](C)N(CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000427002190 1026674561 /nfs/dbraw/zinc/67/45/61/1026674561.db2.gz NJPXRSPYLTWJRB-YPMHNXCESA-N 0 3 333.501 4.074 20 30 EIEDHN C=CCNC(=O)[C@H](C)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000342637887 1026776533 /nfs/dbraw/zinc/77/65/33/1026776533.db2.gz RHBCWPXGOUZPHG-RXVVDRJESA-N 0 3 336.479 4.031 20 30 EIEDHN CCc1cccnc1[C@H](C)NCCSCc1ccccc1C#N ZINC000507516276 1026816528 /nfs/dbraw/zinc/81/65/28/1026816528.db2.gz XDEBQNHELFFFBA-HNNXBMFYSA-N 0 3 325.481 4.100 20 30 EIEDHN CC1(C)CC[C@@H](NCc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000342725738 1026898210 /nfs/dbraw/zinc/89/82/10/1026898210.db2.gz IIJSFJZPCXOUFQ-LJQANCHMSA-N 0 3 330.435 4.108 20 30 EIEDHN COc1cc(CN[C@@H]2CCCc3ccc(Cl)cc32)ccc1C#N ZINC000519675108 1026942440 /nfs/dbraw/zinc/94/24/40/1026942440.db2.gz XERXJEMNTHLFGR-GOSISDBHSA-N 0 3 326.827 4.387 20 30 EIEDHN C=CCC[C@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000342797970 1027041071 /nfs/dbraw/zinc/04/10/71/1027041071.db2.gz SWEOLZPYJKGIFY-PXNSSMCTSA-N 0 3 343.492 4.146 20 30 EIEDHN C=CCn1c(SCCN(C)C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000685016115 1027129617 /nfs/dbraw/zinc/12/96/17/1027129617.db2.gz JRCZWEKPMIXKDD-UHFFFAOYSA-N 0 3 344.528 4.082 20 30 EIEDHN CC(C)c1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000121893827 1027171123 /nfs/dbraw/zinc/17/11/23/1027171123.db2.gz NMUMGZUUYYULQZ-ZDUSSCGKSA-N 0 3 333.313 4.109 20 30 EIEDHN C=CCC1(NCc2csc(-c3ccc(OC)cc3)n2)CCOCC1 ZINC000657633216 1027346711 /nfs/dbraw/zinc/34/67/11/1027346711.db2.gz RWMDCMRLTYJSAT-UHFFFAOYSA-N 0 3 344.480 4.034 20 30 EIEDHN C=CCc1cc(CNCc2ccc(C)c(C)c2)cc(OC)c1OC ZINC000237309391 1027676430 /nfs/dbraw/zinc/67/64/30/1027676430.db2.gz HKONUVIZHRXMBP-UHFFFAOYSA-N 0 3 325.452 4.339 20 30 EIEDHN CCC(C#N)(CC)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000894984170 1027684706 /nfs/dbraw/zinc/68/47/06/1027684706.db2.gz ISVPSEFRLBSJMJ-UHFFFAOYSA-N 0 3 341.377 4.035 20 30 EIEDHN Cc1ccnc(-c2cccc(NC(=O)[C@@H](C)N3CCCCCC3)c2)n1 ZINC000329331807 1027731992 /nfs/dbraw/zinc/73/19/92/1027731992.db2.gz ZSUQDFVOTDOAPN-MRXNPFEDSA-N 0 3 338.455 4.305 20 30 EIEDHN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@H]1CCC(=O)NC12CCC2 ZINC000328683451 1027795850 /nfs/dbraw/zinc/79/58/50/1027795850.db2.gz DLKHHQVLKNOFLL-DOMZBBRYSA-N 0 3 349.862 4.256 20 30 EIEDHN C=CCCC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000523256985 1027888218 /nfs/dbraw/zinc/88/82/18/1027888218.db2.gz DFSKCLRQSJJEJX-INIZCTEOSA-N 0 3 342.405 4.171 20 30 EIEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444676277 1027957769 /nfs/dbraw/zinc/95/77/69/1027957769.db2.gz NPLJJJVZRJACSA-DYVFJYSZSA-N 0 3 333.863 4.051 20 30 EIEDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444676284 1027958454 /nfs/dbraw/zinc/95/84/54/1027958454.db2.gz NPLJJJVZRJACSA-SUMWQHHRSA-N 0 3 333.863 4.051 20 30 EIEDHN CCCc1ccc2nccc(N3CCC4(CC3)CC(=O)C=CO4)c2c1 ZINC000896881911 1028165112 /nfs/dbraw/zinc/16/51/12/1028165112.db2.gz GPCSEMDXRJNPNU-UHFFFAOYSA-N 0 3 336.435 4.029 20 30 EIEDHN Cc1ccn(-c2ccccc2CN[C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000346213685 1028315787 /nfs/dbraw/zinc/31/57/87/1028315787.db2.gz YRLKVBOUMNJHKH-HNNXBMFYSA-N 0 3 334.398 4.042 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cc(Br)cc(C)c2C)n1 ZINC000583451823 1028744100 /nfs/dbraw/zinc/74/41/00/1028744100.db2.gz IQBQIHHCMPRGHJ-CYBMUJFWSA-N 0 3 349.253 4.321 20 30 EIEDHN COc1ccc(OC2CCN([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000522833358 1028980167 /nfs/dbraw/zinc/98/01/67/1028980167.db2.gz YPKOKMIPWREYSP-MRXNPFEDSA-N 0 3 336.435 4.171 20 30 EIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(Cl)cs1 ZINC000759432503 1029081625 /nfs/dbraw/zinc/08/16/25/1029081625.db2.gz WLOZAFIBHJETTQ-NSHDSACASA-N 0 3 339.203 4.016 20 30 EIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cc(Br)cs1)CC2 ZINC000583722787 1029084731 /nfs/dbraw/zinc/08/47/31/1029084731.db2.gz NGYMFTATMRPBTN-HNNXBMFYSA-N 0 3 333.254 4.159 20 30 EIEDHN CC(C)COc1ccc(C(C)(C)CNCc2nc(C#N)cs2)cc1 ZINC000583963792 1029437375 /nfs/dbraw/zinc/43/73/75/1029437375.db2.gz CIMMVRSPUJRRDK-UHFFFAOYSA-N 0 3 343.496 4.117 20 30 EIEDHN N#Cc1ccc2ncc(CN[C@@H](c3cccc(F)c3)C3CCCC3)n2c1 ZINC000584128787 1029638711 /nfs/dbraw/zinc/63/87/11/1029638711.db2.gz XLBYQDPFSVDSBA-OAQYLSRUSA-N 0 3 348.425 4.366 20 30 EIEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)c1nc2ccccc2s1 ZINC000160145209 1029810193 /nfs/dbraw/zinc/81/01/93/1029810193.db2.gz JWLWPXQPETZCQK-JTQLQIEISA-N 0 3 345.786 4.335 20 30 EIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)CC(C)C ZINC000450748394 1029951692 /nfs/dbraw/zinc/95/16/92/1029951692.db2.gz WTBMUMGBJVWOBC-INIZCTEOSA-N 0 3 336.549 4.019 20 30 EIEDHN C[C@@H](O)CN(Cc1ccccc1C#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441243059 1029984794 /nfs/dbraw/zinc/98/47/94/1029984794.db2.gz WDEPROCLFKZXOP-JKSUJKDBSA-N 0 3 342.870 4.026 20 30 EIEDHN N#CC(C(=O)c1cnc2ccsc2c1)c1ccc(C(F)(F)F)cn1 ZINC000525789490 1030003878 /nfs/dbraw/zinc/00/38/78/1030003878.db2.gz LWSBHHNEUQAGMU-NSHDSACASA-N 0 3 347.321 4.200 20 30 EIEDHN CC[C@@H](Nc1ccccc1N1CCN(CC)CC1)c1ccc(C#N)cc1 ZINC000447602902 1030223972 /nfs/dbraw/zinc/22/39/72/1030223972.db2.gz WDDWALFLIFAFLJ-HXUWFJFHSA-N 0 3 348.494 4.263 20 30 EIEDHN Cc1c([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000185799163 1030227150 /nfs/dbraw/zinc/22/71/50/1030227150.db2.gz LPNQVYMJJYUTNQ-UKPHBRMFSA-N 0 3 326.419 4.053 20 30 EIEDHN COc1cc(C#N)ccc1CN1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451139794 1030254329 /nfs/dbraw/zinc/25/43/29/1030254329.db2.gz AYLOLTSGPFFSSO-ZOWXZIJZSA-N 0 3 326.362 4.118 20 30 EIEDHN C=CCCCN[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000447795925 1030328700 /nfs/dbraw/zinc/32/87/00/1030328700.db2.gz QYIGFUGEBLEYFA-HXUWFJFHSA-N 0 3 338.451 4.239 20 30 EIEDHN C=CCc1cccc(C(C)C)c1NC(=O)NCCN1CCCCC1 ZINC000191437499 1030624370 /nfs/dbraw/zinc/62/43/70/1030624370.db2.gz NISIHDWXHRTBEW-UHFFFAOYSA-N 0 3 329.488 4.146 20 30 EIEDHN N#CCCCOc1cccc(CNCc2ccc3ncccc3c2)c1 ZINC000192979377 1030730637 /nfs/dbraw/zinc/73/06/37/1030730637.db2.gz FBWLXXPFAQIZFW-UHFFFAOYSA-N 0 3 331.419 4.207 20 30 EIEDHN Cc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1Cl ZINC000527812382 1030857315 /nfs/dbraw/zinc/85/73/15/1030857315.db2.gz SHULTJNYWBVODP-UHFFFAOYSA-N 0 3 340.854 4.316 20 30 EIEDHN CN(C)C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528012283 1031040394 /nfs/dbraw/zinc/04/03/94/1031040394.db2.gz SNYYRYCZYLRRRU-QEORTHHSSA-N 0 3 340.298 4.268 20 30 EIEDHN C#CCN(CCC(C#N)(c1ccccc1)c1ccccc1)CC1CC1 ZINC001168235631 1031381587 /nfs/dbraw/zinc/38/15/87/1031381587.db2.gz WGMRQFROULULAB-UHFFFAOYSA-N 0 3 328.459 4.232 20 30 EIEDHN COc1cccc([C@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000124225632 1031515390 /nfs/dbraw/zinc/51/53/90/1031515390.db2.gz BOKMYOZJDUHMFH-IIBYNOLFSA-N 0 3 336.435 4.323 20 30 EIEDHN Cc1ccsc1[C@@H](Cc1ccccc1)NCc1ccnc(C#N)c1 ZINC000612480872 1031567689 /nfs/dbraw/zinc/56/76/89/1031567689.db2.gz IQRMPMAHMZQURG-LJQANCHMSA-N 0 3 333.460 4.397 20 30 EIEDHN Cc1csc(CNCc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000449480020 1031779602 /nfs/dbraw/zinc/77/96/02/1031779602.db2.gz NIOAXGDYHFMUQV-UHFFFAOYSA-N 0 3 336.464 4.124 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc(-c3ccccn3)c2)cc1 ZINC000130246038 1031829921 /nfs/dbraw/zinc/82/99/21/1031829921.db2.gz PVPUPHRJWMWFQC-QGZVFWFLSA-N 0 3 343.430 4.329 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528910048 1031934399 /nfs/dbraw/zinc/93/43/99/1031934399.db2.gz PVIBLJOQEJHNKS-YESZJQIVSA-N 0 3 347.393 4.082 20 30 EIEDHN CCOc1cccc(CCC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000528928742 1031953003 /nfs/dbraw/zinc/95/30/03/1031953003.db2.gz OSPNMJCLXHCQAT-INIZCTEOSA-N 0 3 334.375 4.036 20 30 EIEDHN C=CCOc1cccc(CN[C@@H](c2cccs2)C(C)(C)CO)c1 ZINC000453578812 1032025301 /nfs/dbraw/zinc/02/53/01/1032025301.db2.gz RGRYRIWVCPNTFN-SFHVURJKSA-N 0 3 331.481 4.162 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000512551459 1033331477 /nfs/dbraw/zinc/33/14/77/1033331477.db2.gz DQSZTRDYUYRFON-UHFFFAOYSA-N 0 3 337.341 4.440 20 30 EIEDHN COc1ccc([C@H](OC)[C@H](C)N[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512610804 1033493694 /nfs/dbraw/zinc/49/36/94/1033493694.db2.gz FCFKHLOABJQYCA-LAPQFRIASA-N 0 3 342.414 4.133 20 30 EIEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000512612811 1033497037 /nfs/dbraw/zinc/49/70/37/1033497037.db2.gz PYUMPRCWXSRADF-XIKOKIGWSA-N 0 3 332.806 4.389 20 30 EIEDHN CN(CCOc1ccccc1F)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159987 1033528600 /nfs/dbraw/zinc/52/86/00/1033528600.db2.gz FSBUSSYMOVYHNA-UHFFFAOYSA-N 0 3 326.415 4.138 20 30 EIEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1ccccc1Cl ZINC000512624856 1033534961 /nfs/dbraw/zinc/53/49/61/1033534961.db2.gz KNXSVLAVNGRDSF-OLZOCXBDSA-N 0 3 332.806 4.469 20 30 EIEDHN CC[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000512631778 1033555582 /nfs/dbraw/zinc/55/55/82/1033555582.db2.gz SOSCNWFTWATKMY-HIFRSBDPSA-N 0 3 330.378 4.345 20 30 EIEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccc(C#N)cc1F ZINC000512628363 1033560210 /nfs/dbraw/zinc/56/02/10/1033560210.db2.gz DTFRHTJSGQPPTR-CQSZACIVSA-N 0 3 339.439 4.153 20 30 EIEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000614179572 1033610112 /nfs/dbraw/zinc/61/01/12/1033610112.db2.gz SKYJROYKBDVISL-IZHWHUGBSA-N 0 3 340.492 4.076 20 30 EIEDHN C=CCOc1cccc(CN2CCC(c3ncc(C)s3)CC2)c1 ZINC000433029144 1033693293 /nfs/dbraw/zinc/69/32/93/1033693293.db2.gz FUEKYYYXKLNTMH-UHFFFAOYSA-N 0 3 328.481 4.396 20 30 EIEDHN CN(CC1CCCCC1)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433032735 1033702286 /nfs/dbraw/zinc/70/22/86/1033702286.db2.gz MZHGIPXGEKFJNB-HXUWFJFHSA-N 0 3 341.499 4.050 20 30 EIEDHN C[C@H](NCCC1(C#N)CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000411446111 1033891032 /nfs/dbraw/zinc/89/10/32/1033891032.db2.gz AAFBNJJQKHIORS-KRWDZBQOSA-N 0 3 339.483 4.328 20 30 EIEDHN CC[C@](C)(NCCCOc1cccc(C#N)c1)c1nc(C)cs1 ZINC000129231376 1034545371 /nfs/dbraw/zinc/54/53/71/1034545371.db2.gz WAIHZVVRKDURFZ-SFHVURJKSA-N 0 3 329.469 4.007 20 30 EIEDHN CC[C@@](C)(NCCCOc1cccc(C#N)c1)c1nc(C)cs1 ZINC000129231607 1034546260 /nfs/dbraw/zinc/54/62/60/1034546260.db2.gz WAIHZVVRKDURFZ-GOSISDBHSA-N 0 3 329.469 4.007 20 30 EIEDHN COc1ccccc1O[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000513404769 1034918987 /nfs/dbraw/zinc/91/89/87/1034918987.db2.gz ACEMBCZIKHHJGD-QFBILLFUSA-N 0 3 336.435 4.171 20 30 EIEDHN COc1ccccc1O[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000513405815 1034919500 /nfs/dbraw/zinc/91/95/00/1034919500.db2.gz JFQSCFDDNCKWGO-QFBILLFUSA-N 0 3 336.435 4.171 20 30 EIEDHN N#CCC1(CNCc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000430024025 1035013704 /nfs/dbraw/zinc/01/37/04/1035013704.db2.gz RLBGBCQUUXULGG-UHFFFAOYSA-N 0 3 348.475 4.384 20 30 EIEDHN Fc1cc(F)c(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1F ZINC000430024859 1035014028 /nfs/dbraw/zinc/01/40/28/1035014028.db2.gz JKGROYGDICEYQT-HTQZYQBOSA-N 0 3 329.259 4.454 20 30 EIEDHN C=CCC[C@H](N[C@H]1CCN(c2ccccc2OC)C1)c1ccco1 ZINC000513707793 1035392289 /nfs/dbraw/zinc/39/22/89/1035392289.db2.gz IXXJDPWZFUIICH-IRXDYDNUSA-N 0 3 326.440 4.164 20 30 EIEDHN CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000501332979 1035425858 /nfs/dbraw/zinc/42/58/58/1035425858.db2.gz NPKHCBKYRSDXFW-UHFFFAOYSA-N 0 3 334.341 4.088 20 30 EIEDHN N#Cc1cccc(C2(NCc3cc4ccccc4o3)CCOCC2)c1 ZINC000594984004 1035512339 /nfs/dbraw/zinc/51/23/39/1035512339.db2.gz KROGKISAGFBCKD-UHFFFAOYSA-N 0 3 332.403 4.100 20 30 EIEDHN CC(C)(C#N)CCCCN[C@H](CO)c1cccc(Cl)c1Cl ZINC000595828323 1035800875 /nfs/dbraw/zinc/80/08/75/1035800875.db2.gz JZWMHHDDLIZYBE-CQSZACIVSA-N 0 3 329.271 4.336 20 30 EIEDHN N#CCc1ccc(CN2CCC3(C=Cc4ccccc4O3)CC2)cc1 ZINC000595880227 1035803176 /nfs/dbraw/zinc/80/31/76/1035803176.db2.gz ZTFHKDISRGZTFL-UHFFFAOYSA-N 0 3 330.431 4.193 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000221681321 1035862820 /nfs/dbraw/zinc/86/28/20/1035862820.db2.gz DTDCLMLHEKFVIW-YNEHKIRRSA-N 0 3 349.356 4.118 20 30 EIEDHN CC(C)c1ccccc1NC(=O)C[C@H](C)NCc1ccc(C#N)s1 ZINC000421345777 1036290907 /nfs/dbraw/zinc/29/09/07/1036290907.db2.gz BDOWZBFWMNAFEM-AWEZNQCLSA-N 0 3 341.480 4.250 20 30 EIEDHN COc1cc(C)c([C@@H](C)N2CCC(C#N)(c3ccccn3)CC2)cc1C ZINC000602650638 1036540809 /nfs/dbraw/zinc/54/08/09/1036540809.db2.gz FBFLUDUNTYDPRS-GOSISDBHSA-N 0 3 349.478 4.325 20 30 EIEDHN COc1cc(C)c([C@H](C)N2CCC(C#N)(c3ccccn3)CC2)cc1C ZINC000602650639 1036541470 /nfs/dbraw/zinc/54/14/70/1036541470.db2.gz FBFLUDUNTYDPRS-SFHVURJKSA-N 0 3 349.478 4.325 20 30 EIEDHN N#CCCC[C@@H](N[C@@H](c1nc[nH]n1)C1CCCCC1)c1ccccc1 ZINC000602672770 1036551199 /nfs/dbraw/zinc/55/11/99/1036551199.db2.gz ZTKWFLTZRISDRN-RTBURBONSA-N 0 3 337.471 4.451 20 30 EIEDHN N#CCCC[C@@H]([NH2+][C@@H](c1nnc[n-]1)C1CCCCC1)c1ccccc1 ZINC000602672770 1036551233 /nfs/dbraw/zinc/55/12/33/1036551233.db2.gz ZTKWFLTZRISDRN-RTBURBONSA-N 0 3 337.471 4.451 20 30 EIEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1F ZINC000588961665 1036626165 /nfs/dbraw/zinc/62/61/65/1036626165.db2.gz SOGGSCGOTMFGJU-MDZLAQPJSA-N 0 3 325.225 4.321 20 30 EIEDHN C=C(C)COCCN[C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000164645181 1036690931 /nfs/dbraw/zinc/69/09/31/1036690931.db2.gz SEVICUDLESWYAZ-LBPRGKRZSA-N 0 3 338.245 4.439 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000598590795 1036710867 /nfs/dbraw/zinc/71/08/67/1036710867.db2.gz PJRAJLGOWDWEIW-HXUWFJFHSA-N 0 3 340.442 4.129 20 30 EIEDHN CC(C)(C#N)c1ccc(CN[C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000589268762 1036726646 /nfs/dbraw/zinc/72/66/46/1036726646.db2.gz ZHAJBKAJCDVBKV-SFHVURJKSA-N 0 3 342.508 4.399 20 30 EIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(N3CCCCCC3)nc1)CC2 ZINC000589336406 1036739736 /nfs/dbraw/zinc/73/97/36/1036739736.db2.gz CPZMEJDQZLLLKQ-NRFANRHFSA-N 0 3 346.478 4.111 20 30 EIEDHN N#Cc1csc(CNCC(Cc2ccccc2)Cc2ccccc2)n1 ZINC000589317854 1036745225 /nfs/dbraw/zinc/74/52/25/1036745225.db2.gz RQVBSAOGRCMVCG-UHFFFAOYSA-N 0 3 347.487 4.206 20 30 EIEDHN CN(CCOc1ccc(C#N)cc1)Cc1ccccc1C(F)(F)F ZINC000603443654 1036835092 /nfs/dbraw/zinc/83/50/92/1036835092.db2.gz XAHNBWFSLJSNPK-UHFFFAOYSA-N 0 3 334.341 4.088 20 30 EIEDHN CCCCCN(CC(=O)N(CCC#N)c1cccc(C)c1C)C(C)C ZINC000603845766 1037038911 /nfs/dbraw/zinc/03/89/11/1037038911.db2.gz QKWOUZKNNUUWCU-UHFFFAOYSA-N 0 3 343.515 4.451 20 30 EIEDHN C[C@@H](N[C@H](C)c1cccc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000057555226 1037108967 /nfs/dbraw/zinc/10/89/67/1037108967.db2.gz DPBHBHRQVSWZAG-HZPDHXFCSA-N 0 3 343.430 4.389 20 30 EIEDHN C=CCC[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000487591070 1037170324 /nfs/dbraw/zinc/17/03/24/1037170324.db2.gz AKSYEMULNZLVTD-VXKWHMMOSA-N 0 3 348.490 4.127 20 30 EIEDHN CC(C)(C)OC(=O)Nc1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC000272642974 1037259353 /nfs/dbraw/zinc/25/93/53/1037259353.db2.gz XVJYTKLZEGARCF-UHFFFAOYSA-N 0 3 329.444 4.159 20 30 EIEDHN Cc1cc(C#N)ccc1CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000591051102 1037272016 /nfs/dbraw/zinc/27/20/16/1037272016.db2.gz CGJHPABPODCZCG-OAQYLSRUSA-N 0 3 332.447 4.220 20 30 EIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000591348973 1037391191 /nfs/dbraw/zinc/39/11/91/1037391191.db2.gz VEJIZOSBIZKPNR-SJCJKPOMSA-N 0 3 333.391 4.133 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc3c2NCCC3)c1 ZINC000894272511 1037712696 /nfs/dbraw/zinc/71/26/96/1037712696.db2.gz CLEBGVDMFINWBI-IBGZPJMESA-N 0 3 335.451 4.015 20 30 EIEDHN CC[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1csc(C)c1 ZINC000592186339 1037745454 /nfs/dbraw/zinc/74/54/54/1037745454.db2.gz CNSMDAXRUYBTHC-GOSISDBHSA-N 0 3 341.480 4.044 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2CCC(C)C)CC1 ZINC000592339807 1037780600 /nfs/dbraw/zinc/78/06/00/1037780600.db2.gz CKWHWLBHHFUNGI-UHFFFAOYSA-N 0 3 343.515 4.437 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)CC1 ZINC000489280543 1037923439 /nfs/dbraw/zinc/92/34/39/1037923439.db2.gz NJCBOLRYCFHQLM-IBGZPJMESA-N 0 3 343.515 4.032 20 30 EIEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1COCc1ccccc1 ZINC000912401367 1037979027 /nfs/dbraw/zinc/97/90/27/1037979027.db2.gz MZAWAPFGTJNWOO-IBGZPJMESA-N 0 3 338.451 4.026 20 30 EIEDHN N#CC(C(=O)c1ccc(OC(F)F)cc1)c1nc2ccccc2s1 ZINC000046442435 1038207347 /nfs/dbraw/zinc/20/73/47/1038207347.db2.gz JXDUDRVTQHYABD-LBPRGKRZSA-N 0 3 344.342 4.388 20 30 EIEDHN CC1(C)C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)c2cc(N)ccc2O1 ZINC000423421177 1038209270 /nfs/dbraw/zinc/20/92/70/1038209270.db2.gz ATNQHWUQVQYZQA-MOPGFXCFSA-N 0 3 333.435 4.020 20 30 EIEDHN Cc1cccc2c(CC(=O)C(C#N)c3nc4ccccc4o3)c[nH]c21 ZINC000172668795 1038246722 /nfs/dbraw/zinc/24/67/22/1038246722.db2.gz VCTRQMUBURYQTC-OAHLLOKOSA-N 0 3 329.359 4.037 20 30 EIEDHN CN(CC(=O)Nc1ccccc1SCC#N)C1CCCCCCC1 ZINC000173274085 1038246918 /nfs/dbraw/zinc/24/69/18/1038246918.db2.gz XDSUDFIIRBDLJI-UHFFFAOYSA-N 0 3 345.512 4.285 20 30 EIEDHN CCCN(C(=O)[C@@H](N)CCCCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000594430721 1038332198 /nfs/dbraw/zinc/33/21/98/1038332198.db2.gz BMKBLGMCQWPMRN-RDJZCZTQSA-N 0 3 341.455 4.144 20 30 EIEDHN CC(C)Sc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594434895 1038332684 /nfs/dbraw/zinc/33/26/84/1038332684.db2.gz VUUQGNQNZTVBEX-ZDUSSCGKSA-N 0 3 339.892 4.190 20 30 EIEDHN CC(C)Sc1ccc(Cl)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594434894 1038333485 /nfs/dbraw/zinc/33/34/85/1038333485.db2.gz VUUQGNQNZTVBEX-CYBMUJFWSA-N 0 3 339.892 4.190 20 30 EIEDHN N#CC1(c2ccc(CNCc3ccnc(OC4CCCC4)c3)cc2)CC1 ZINC000594914440 1038421355 /nfs/dbraw/zinc/42/13/55/1038421355.db2.gz IJMRVJKDEVLJPQ-UHFFFAOYSA-N 0 3 347.462 4.248 20 30 EIEDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594914142 1038424597 /nfs/dbraw/zinc/42/45/97/1038424597.db2.gz DKQSYNFUSFYHCO-HNNXBMFYSA-N 0 3 333.435 4.051 20 30 EIEDHN N#CC1(c2ccc(CNCc3cccc(Br)c3)cc2)CC1 ZINC000594926978 1038431291 /nfs/dbraw/zinc/43/12/91/1038431291.db2.gz PTHGZRHZELEJAL-UHFFFAOYSA-N 0 3 341.252 4.294 20 30 EIEDHN C[C@@H](NCc1cnc2n1CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000594945311 1038514295 /nfs/dbraw/zinc/51/42/95/1038514295.db2.gz YOKRYUWUFUTPPU-MRXNPFEDSA-N 0 3 342.446 4.219 20 30 EIEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000424187807 1038729779 /nfs/dbraw/zinc/72/97/79/1038729779.db2.gz BKQXOPQNAIWSGZ-KBXCAEBGSA-N 0 3 341.842 4.096 20 30 EIEDHN C[C@@H](NCCC(C)(C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000424317210 1038801430 /nfs/dbraw/zinc/80/14/30/1038801430.db2.gz DVZREAVUFFOTDH-CYBMUJFWSA-N 0 3 334.435 4.106 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000174091477 1038841665 /nfs/dbraw/zinc/84/16/65/1038841665.db2.gz DJGZJCHKGLFHJA-KXBFYZLASA-N 0 3 349.434 4.099 20 30 EIEDHN C=CCN(Cc1ccccc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000063915518 1038890377 /nfs/dbraw/zinc/89/03/77/1038890377.db2.gz SQKRXJRMNXGGOL-UHFFFAOYSA-N 0 3 334.463 4.111 20 30 EIEDHN CCCOc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1OC ZINC000539252356 1038895978 /nfs/dbraw/zinc/89/59/78/1038895978.db2.gz JWVIDVCTYBYFIB-CQSZACIVSA-N 0 3 342.414 4.346 20 30 EIEDHN C[C@@H](NCC#Cc1ccccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000539341610 1038998515 /nfs/dbraw/zinc/99/85/15/1038998515.db2.gz BIIHCCZVQAEJAE-MRXNPFEDSA-N 0 3 335.838 4.228 20 30 EIEDHN C=CCC[C@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccco1 ZINC000552048591 1039070127 /nfs/dbraw/zinc/07/01/27/1039070127.db2.gz XNSKFFHUNSXCJP-IRXDYDNUSA-N 0 3 334.410 4.458 20 30 EIEDHN C=CCOc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000552091496 1039118112 /nfs/dbraw/zinc/11/81/12/1039118112.db2.gz OVJAJAMBBNYWCB-HXUWFJFHSA-N 0 3 338.407 4.327 20 30 EIEDHN COc1cc(C#N)ccc1CN(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000481348888 1039334273 /nfs/dbraw/zinc/33/42/73/1039334273.db2.gz QVEUYHOMFSPAHH-HXUWFJFHSA-N 0 3 349.478 4.497 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1 ZINC000091681833 1039381955 /nfs/dbraw/zinc/38/19/55/1039381955.db2.gz UUNYFJYGLBJEDB-QGZVFWFLSA-N 0 3 336.435 4.021 20 30 EIEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC000481446064 1039442058 /nfs/dbraw/zinc/44/20/58/1039442058.db2.gz RTMXGOMOARRLFJ-KZULUSFZSA-N 0 3 332.806 4.217 20 30 EIEDHN N#Cc1ccc(CN2CCC(Nc3ccc(C4CCC4)cn3)CC2)cc1 ZINC000552406518 1039477520 /nfs/dbraw/zinc/47/75/20/1039477520.db2.gz APNDFTXXCLKEGX-UHFFFAOYSA-N 0 3 346.478 4.297 20 30 EIEDHN C=C[C@@H](CC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000534605577 1039597157 /nfs/dbraw/zinc/59/71/57/1039597157.db2.gz UYFZRFWDRIKZAF-UGKGYDQZSA-N 0 3 348.490 4.300 20 30 EIEDHN C=C(C)[C@@H](NCCOc1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000481590626 1039604264 /nfs/dbraw/zinc/60/42/64/1039604264.db2.gz FZBHVINYUMIXBV-LJQANCHMSA-N 0 3 328.362 4.122 20 30 EIEDHN C=CCOc1ccccc1CNC[C@@H](c1ccco1)N1CCCCC1 ZINC000060818787 1039759702 /nfs/dbraw/zinc/75/97/02/1039759702.db2.gz PLROWWQCBVAVSR-IBGZPJMESA-N 0 3 340.467 4.161 20 30 EIEDHN C=C(C)COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC ZINC000060927398 1039779489 /nfs/dbraw/zinc/77/94/89/1039779489.db2.gz JIJDWYUTGJWGEY-UHFFFAOYSA-N 0 3 329.415 4.387 20 30 EIEDHN COc1cccc2cc([C@H](C)NCc3ccc(OCC#N)cc3)oc21 ZINC000192905118 1039855867 /nfs/dbraw/zinc/85/58/67/1039855867.db2.gz KLKKEIACINVOID-AWEZNQCLSA-N 0 3 336.391 4.195 20 30 EIEDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc(Cl)cc2C#N)CC1 ZINC000425234797 1039899879 /nfs/dbraw/zinc/89/98/79/1039899879.db2.gz HVQXJFWTSKLGID-CQSZACIVSA-N 0 3 340.858 4.244 20 30 EIEDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000425237231 1039913982 /nfs/dbraw/zinc/91/39/82/1039913982.db2.gz LCTJZBFTZCUMSC-CQSZACIVSA-N 0 3 340.858 4.244 20 30 EIEDHN N#CCC[C@H](NCCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000553385927 1040199347 /nfs/dbraw/zinc/19/93/47/1040199347.db2.gz HVXOQBIQYNJOPF-SFHVURJKSA-N 0 3 341.842 4.303 20 30 EIEDHN CCN(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C1CCCC1 ZINC000551401497 1040269860 /nfs/dbraw/zinc/26/98/60/1040269860.db2.gz JAVHPHBUCHYGQL-UHFFFAOYSA-N 0 3 347.890 4.160 20 30 EIEDHN CC[C@H](C)N[C@H](CNc1ncc(Cl)c(C)c1C#N)c1ccco1 ZINC000553603361 1040352146 /nfs/dbraw/zinc/35/21/46/1040352146.db2.gz BEXNOAMPCPZURX-XHDPSFHLSA-N 0 3 332.835 4.049 20 30 EIEDHN Cc1csc(C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000160142145 1040379798 /nfs/dbraw/zinc/37/97/98/1040379798.db2.gz DMBYBEBAPFQURE-NSHDSACASA-N 0 3 326.208 4.004 20 30 EIEDHN Cc1c(Br)cccc1CN(C)Cc1ccc(C#N)cc1 ZINC000535582472 1040384109 /nfs/dbraw/zinc/38/41/09/1040384109.db2.gz HXEDDXRZWZHVIF-UHFFFAOYSA-N 0 3 329.241 4.261 20 30 EIEDHN N#Cc1ccccc1OCCNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000477563112 1040598144 /nfs/dbraw/zinc/59/81/44/1040598144.db2.gz LINYXESNENHEPX-UHFFFAOYSA-N 0 3 346.352 4.235 20 30 EIEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(-c2ccc(C)cc2)n1 ZINC000435746159 1040598739 /nfs/dbraw/zinc/59/87/39/1040598739.db2.gz UIDYFXZENQYOHI-FUHWJXTLSA-N 0 3 328.481 4.189 20 30 EIEDHN CO[C@H](c1ccccc1F)[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000539609460 1040607301 /nfs/dbraw/zinc/60/73/01/1040607301.db2.gz HKHKKPXNGGWWBL-QUJCMNEKSA-N 0 3 330.378 4.263 20 30 EIEDHN C[C@H](NCc1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000539610478 1040607321 /nfs/dbraw/zinc/60/73/21/1040607321.db2.gz YBJDYTDKQPOMFJ-NSHDSACASA-N 0 3 333.204 4.311 20 30 EIEDHN N#Cc1c(CN2CCC[C@@H]2Cc2ccc(F)cc2)cn2ccccc12 ZINC000515509329 1040815894 /nfs/dbraw/zinc/81/58/94/1040815894.db2.gz VYWJSVBFLODUHK-LJQANCHMSA-N 0 3 333.410 4.157 20 30 EIEDHN Clc1ccccc1C#CCN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000538233604 1041203320 /nfs/dbraw/zinc/20/33/20/1041203320.db2.gz UVVPODYILXAUPK-UWJYYQICSA-N 0 3 339.866 4.449 20 30 EIEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)COC2 ZINC000540185996 1041249662 /nfs/dbraw/zinc/24/96/62/1041249662.db2.gz IBOZXPFBENWEJZ-CQSZACIVSA-N 0 3 345.364 4.438 20 30 EIEDHN CCC(CC)[C@H](NCC(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000540375148 1041411077 /nfs/dbraw/zinc/41/10/77/1041411077.db2.gz WPIDSOBVMJWGKA-SFHVURJKSA-N 0 3 347.528 4.158 20 30 EIEDHN CN(C)[C@H](CNc1ccc(C(F)(F)F)c(C#N)c1)c1ccsc1 ZINC000463427507 1041564281 /nfs/dbraw/zinc/56/42/81/1041564281.db2.gz CCEFEKAHABBDGN-OAHLLOKOSA-N 0 3 339.386 4.353 20 30 EIEDHN COc1cccc([C@H]2C[C@H](C)CN2Cc2ccc(OC)c(C#N)c2)c1 ZINC000541322951 1041892212 /nfs/dbraw/zinc/89/22/12/1041892212.db2.gz XWHHRNJAXGNXJD-MGPUTAFESA-N 0 3 336.435 4.159 20 30 EIEDHN N#Cc1ccc(CN2CCC(Nc3cncc4ccccc43)CC2)cc1 ZINC000541909576 1042166867 /nfs/dbraw/zinc/16/68/67/1042166867.db2.gz KRTLEHMFCJTZHP-UHFFFAOYSA-N 0 3 342.446 4.183 20 30 EIEDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437894207 1042554683 /nfs/dbraw/zinc/55/46/83/1042554683.db2.gz HHQCTMAUSXETQV-CABCVRRESA-N 0 3 340.439 4.266 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccc3oc4ccccc4c3c2)CC1 ZINC000518581022 1042575350 /nfs/dbraw/zinc/57/53/50/1042575350.db2.gz OXXHFOZCHWWEHK-UHFFFAOYSA-N 0 3 349.434 4.358 20 30 EIEDHN CCOc1cc2c(cc1OCC)CN(CCCC(C)(C)C#N)CC2 ZINC000174811825 1042714604 /nfs/dbraw/zinc/71/46/04/1042714604.db2.gz OJFOHALYTBETRV-UHFFFAOYSA-N 0 3 330.472 4.172 20 30 EIEDHN CC(C)[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000008002580 1043047249 /nfs/dbraw/zinc/04/72/49/1043047249.db2.gz KMBHDMSNXIOOTN-IBGZPJMESA-N 0 3 341.842 4.137 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2cc3ccccc3n2CC#N)n1 ZINC000673813961 1043077855 /nfs/dbraw/zinc/07/78/55/1043077855.db2.gz JLKBEKRZTXQGGH-CQSZACIVSA-N 0 3 348.431 4.235 20 30 EIEDHN C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1cccc2ccccc21 ZINC000008268995 1043078594 /nfs/dbraw/zinc/07/85/94/1043078594.db2.gz DYODOZUMNVABQC-HNNXBMFYSA-N 0 3 329.403 4.001 20 30 EIEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCCc3nn(C)cc32)cc1 ZINC000282462470 1043150764 /nfs/dbraw/zinc/15/07/64/1043150764.db2.gz OPRBMWRLPNEABM-KSSFIOAISA-N 0 3 345.874 4.280 20 30 EIEDHN COc1cccc(Oc2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cn2)c1 ZINC000185784683 1043219747 /nfs/dbraw/zinc/21/97/47/1043219747.db2.gz KUTSDXRTTOLMGN-NVXWUHKLSA-N 0 3 337.423 4.054 20 30 EIEDHN CCCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OC(F)F)c1 ZINC000185855603 1043226594 /nfs/dbraw/zinc/22/65/94/1043226594.db2.gz GVKHFNFGILQARN-UKRRQHHQSA-N 0 3 338.398 4.249 20 30 EIEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1csc2ccccc21 ZINC000730024048 1043431353 /nfs/dbraw/zinc/43/13/53/1043431353.db2.gz ZXVGFRNNORHOBN-GJZGRUSLSA-N 0 3 328.481 4.141 20 30 EIEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1csc2ccccc21 ZINC000730019864 1043436202 /nfs/dbraw/zinc/43/62/02/1043436202.db2.gz TYUTWUNVQGHVBF-KGLIPLIRSA-N 0 3 349.459 4.451 20 30 EIEDHN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000499626475 1043497166 /nfs/dbraw/zinc/49/71/66/1043497166.db2.gz OUSLOAVFZXRPES-SCLBCKFNSA-N 0 3 348.368 4.189 20 30 EIEDHN C=C1CCN(C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000521253105 1043677990 /nfs/dbraw/zinc/67/79/90/1043677990.db2.gz WWPSHEZBCQKGGA-INIZCTEOSA-N 0 3 337.891 4.164 20 30 EIEDHN Cc1sc(NC(=O)CN(C)[C@H](C)C2CCCCC2)c(C#N)c1C ZINC000521275920 1043686014 /nfs/dbraw/zinc/68/60/14/1043686014.db2.gz PDFJFPMMFLVSRJ-CYBMUJFWSA-N 0 3 333.501 4.076 20 30 EIEDHN COc1ccccc1[C@H]1CCCCN1Cc1ccc(OCC#N)cc1 ZINC000731213203 1043714578 /nfs/dbraw/zinc/71/45/78/1043714578.db2.gz WNROITPTQFBLFT-HXUWFJFHSA-N 0 3 336.435 4.325 20 30 EIEDHN CN(Cc1ccc(OCC#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000731211603 1043715627 /nfs/dbraw/zinc/71/56/27/1043715627.db2.gz QKFGBBRLZHNZBY-UHFFFAOYSA-N 0 3 334.341 4.240 20 30 EIEDHN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442831442 1043859669 /nfs/dbraw/zinc/85/96/69/1043859669.db2.gz ADTLVQUMCFIPRK-QRWLVFNGSA-N 0 3 336.435 4.159 20 30 EIEDHN COc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c(C)c1 ZINC000442856118 1043875722 /nfs/dbraw/zinc/87/57/22/1043875722.db2.gz NNUUULSFGKXJGD-MRXNPFEDSA-N 0 3 349.415 4.012 20 30 EIEDHN COc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c(C)c1 ZINC000442856117 1043876671 /nfs/dbraw/zinc/87/66/71/1043876671.db2.gz NNUUULSFGKXJGD-INIZCTEOSA-N 0 3 349.415 4.012 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](c2cnn(C)c2)C(C)C)cc1Cl ZINC000922893865 1043890985 /nfs/dbraw/zinc/89/09/85/1043890985.db2.gz JISGMZLSVSFLNR-GOSISDBHSA-N 0 3 333.863 4.125 20 30 EIEDHN C=CCc1cc(CN(Cc2ccc(F)cc2)C2CC2)c(O)c(OC)c1 ZINC000732493134 1043927710 /nfs/dbraw/zinc/92/77/10/1043927710.db2.gz YQSJQMLXRUDYMC-UHFFFAOYSA-N 0 3 341.426 4.433 20 30 EIEDHN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000011047461 1043944662 /nfs/dbraw/zinc/94/46/62/1043944662.db2.gz WGHHVHPFHUUAOK-DYVFJYSZSA-N 0 3 341.842 4.280 20 30 EIEDHN CN(Cc1ccc(OCc2ccccn2)cc1)Cc1cccc(C#N)c1 ZINC000067716430 1044014612 /nfs/dbraw/zinc/01/46/12/1044014612.db2.gz UQUZJMWIDHGPLF-UHFFFAOYSA-N 0 3 343.430 4.164 20 30 EIEDHN C=CCc1cc(CNc2ccnc3ccccc32)cc(OC)c1OC ZINC000521935492 1044071762 /nfs/dbraw/zinc/07/17/62/1044071762.db2.gz SCEVDOSOFAFZPH-UHFFFAOYSA-N 0 3 334.419 4.015 20 30 EIEDHN C#CCCOc1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000733322766 1044182518 /nfs/dbraw/zinc/18/25/18/1044182518.db2.gz UIEJXIAQFOUTPA-UHFFFAOYSA-N 0 3 349.352 4.277 20 30 EIEDHN C#CCCOc1ccc(CNCc2ccc3[nH]c(C)c(C)c3c2)cc1 ZINC000733325695 1044188685 /nfs/dbraw/zinc/18/86/85/1044188685.db2.gz QGJUDBLKGKEHFL-UHFFFAOYSA-N 0 3 332.447 4.477 20 30 EIEDHN CCOc1ccc(CNCc2cccc(O[C@@H](C#N)CC)c2)cc1F ZINC000785467764 1044260661 /nfs/dbraw/zinc/26/06/61/1044260661.db2.gz DHDMVBNHWANQAO-QGZVFWFLSA-N 0 3 342.414 4.195 20 30 EIEDHN C#CCOc1ccccc1CNCc1ccc(OC)c2ccccc12 ZINC000734159063 1044505642 /nfs/dbraw/zinc/50/56/42/1044505642.db2.gz FSKUTAOFSPOQPG-UHFFFAOYSA-N 0 3 331.415 4.150 20 30 EIEDHN C[C@@H]([C@H](C)NCc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000542531280 1044574334 /nfs/dbraw/zinc/57/43/34/1044574334.db2.gz LKZQAXKJHVNFGB-GJZGRUSLSA-N 0 3 338.455 4.303 20 30 EIEDHN C=CC[C@H](CO)CN[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000495043129 1044610802 /nfs/dbraw/zinc/61/08/02/1044610802.db2.gz DFXGDEXOHBUBET-IFXJQAMLSA-N 0 3 333.834 4.343 20 30 EIEDHN C=CC[C@H](CO)CN[C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000495072045 1044638927 /nfs/dbraw/zinc/63/89/27/1044638927.db2.gz ZMSGALFUPMDHFB-MGPUTAFESA-N 0 3 345.870 4.212 20 30 EIEDHN Cn1cc(CN[C@@H]2CCCc3sccc32)c(-c2ccc(C#N)cc2)n1 ZINC000123712688 1044761319 /nfs/dbraw/zinc/76/13/19/1044761319.db2.gz NKDQMMSGAXOYFM-GOSISDBHSA-N 0 3 348.475 4.187 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccccc3OC(C)C)nc21 ZINC000735793584 1044866828 /nfs/dbraw/zinc/86/68/28/1044866828.db2.gz WGQLAEUOHHEXOA-INIZCTEOSA-N 0 3 347.418 4.078 20 30 EIEDHN CCOc1cccc(/C=N/C[C@@H](c2ccsc2)N(CC)CC)c1O ZINC000915115116 1045114023 /nfs/dbraw/zinc/11/40/23/1045114023.db2.gz XQRIIJPUKZHKGX-RONKMWSCSA-N 0 3 346.496 4.354 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)c2ccccc2Cl)c([O-])c1 ZINC000740763878 1045219221 /nfs/dbraw/zinc/21/92/21/1045219221.db2.gz SAVODAIKLXEARF-GFIJVFARSA-N 0 3 346.858 4.044 20 30 EIEDHN C=CC[C@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccncc1 ZINC000766021992 1045237003 /nfs/dbraw/zinc/23/70/03/1045237003.db2.gz VRBRHLNIIASJIG-UZLBHIALSA-N 0 3 335.451 4.176 20 30 EIEDHN Cc1cc(C)cc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000611252154 1045265127 /nfs/dbraw/zinc/26/51/27/1045265127.db2.gz RFSJDPPNVRHQNP-AWEZNQCLSA-N 0 3 339.395 4.298 20 30 EIEDHN CC(C)[C@H](NCc1ccnc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000611402911 1045302366 /nfs/dbraw/zinc/30/23/66/1045302366.db2.gz CDAQCLWRYHOZLP-KRWDZBQOSA-N 0 3 333.357 4.459 20 30 EIEDHN CC1(C)C[C@H](N(Cc2ccccc2)Cc2ccnc(C#N)c2)C(C)(C)O1 ZINC000611484071 1045318026 /nfs/dbraw/zinc/31/80/26/1045318026.db2.gz HFEHGMAKMROTDL-FQEVSTJZSA-N 0 3 349.478 4.302 20 30 EIEDHN CC(C)COc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171676156 1045331536 /nfs/dbraw/zinc/33/15/36/1045331536.db2.gz USVMKKDJISAIFR-QGZVFWFLSA-N 0 3 338.451 4.475 20 30 EIEDHN C=CCN(Cc1cc(OC)ccc1OCc1ccccn1)C(C)C ZINC000768548080 1045822316 /nfs/dbraw/zinc/82/23/16/1045822316.db2.gz VZQSQKHFXWEQFN-UHFFFAOYSA-N 0 3 326.440 4.066 20 30 EIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000768936478 1045861210 /nfs/dbraw/zinc/86/12/10/1045861210.db2.gz FBQOQQMXJMGGDQ-UHFFFAOYSA-N 0 3 349.478 4.233 20 30 EIEDHN N#CC(C(=O)CCCOc1ccccc1F)c1nccc2ccccc21 ZINC000792094819 1045862393 /nfs/dbraw/zinc/86/23/93/1045862393.db2.gz HECVRPRKTSCMBO-QGZVFWFLSA-N 0 3 348.377 4.409 20 30 EIEDHN N#Cc1cccc([C@@H](O)CN2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001170289862 1045991711 /nfs/dbraw/zinc/99/17/11/1045991711.db2.gz AJKRXBVSXMUIQG-UXHICEINSA-N 0 3 340.854 4.472 20 30 EIEDHN N#CC1(c2ccccc2)CCC(NCC(=O)c2ccccc2F)CC1 ZINC001170358940 1046014190 /nfs/dbraw/zinc/01/41/90/1046014190.db2.gz HFNNRMXAHHWMOY-UHFFFAOYSA-N 0 3 336.410 4.002 20 30 EIEDHN CCc1noc(C)c1[C@@H](C)NCCSCc1ccccc1C#N ZINC000769873741 1046102006 /nfs/dbraw/zinc/10/20/06/1046102006.db2.gz IILIIGVMFGPSAV-CYBMUJFWSA-N 0 3 329.469 4.001 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cccc(-c3ccccn3)c2C)n1 ZINC000162346812 1046181506 /nfs/dbraw/zinc/18/15/06/1046181506.db2.gz JXGULHADJHVSTC-INIZCTEOSA-N 0 3 333.416 4.312 20 30 EIEDHN N#Cc1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1F ZINC000192085376 1046181692 /nfs/dbraw/zinc/18/16/92/1046181692.db2.gz VIRTUJABSOXMEV-MRXNPFEDSA-N 0 3 335.382 4.218 20 30 EIEDHN C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000793564675 1046293657 /nfs/dbraw/zinc/29/36/57/1046293657.db2.gz JBAKCLHBPOLXBQ-HZPDHXFCSA-N 0 3 327.476 4.351 20 30 EIEDHN N#CC(C(=O)CCn1c2ccccc2c2ccccc21)c1ccccn1 ZINC000916880621 1046417197 /nfs/dbraw/zinc/41/71/97/1046417197.db2.gz DIJCJCPZTYMUHP-SFHVURJKSA-N 0 3 339.398 4.456 20 30 EIEDHN N#CC(C(=O)CCCc1cccs1)C(=O)Nc1ccccc1Cl ZINC000916905013 1046452429 /nfs/dbraw/zinc/45/24/29/1046452429.db2.gz HRARRXDJDNKGOU-ZDUSSCGKSA-N 0 3 346.839 4.072 20 30 EIEDHN C[C@H](c1ccccc1)N1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000804465118 1046532938 /nfs/dbraw/zinc/53/29/38/1046532938.db2.gz DNZBLAPBSSGNMP-GFCCVEGCSA-N 0 3 346.887 4.306 20 30 EIEDHN Cc1cccc([C@H]2CCCN2Cc2cnc3ccc(C#N)cn23)c1C ZINC000536659092 1046604878 /nfs/dbraw/zinc/60/48/78/1046604878.db2.gz DEMFJJCYXLLNQG-HXUWFJFHSA-N 0 3 330.435 4.160 20 30 EIEDHN C=C(C)COc1cc(CNCc2cccc3cccnc32)ccc1OC ZINC000127291412 1046645971 /nfs/dbraw/zinc/64/59/71/1046645971.db2.gz BNYVQEOKCSBACQ-UHFFFAOYSA-N 0 3 348.446 4.488 20 30 EIEDHN C=CCC[C@H](O)CN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459588721 1046788985 /nfs/dbraw/zinc/78/89/85/1046788985.db2.gz HSYZOJSVYVPYEX-YOEHRIQHSA-N 0 3 333.863 4.070 20 30 EIEDHN Cc1ccc(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)cc1C ZINC000917172122 1046803357 /nfs/dbraw/zinc/80/33/57/1046803357.db2.gz XXKIPEOIZBSEQI-INIZCTEOSA-N 0 3 349.459 4.226 20 30 EIEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(N2CCCC2=O)cc1 ZINC000787025460 1046893013 /nfs/dbraw/zinc/89/30/13/1046893013.db2.gz GVQIFJBDJSXKRP-QVKFZJNVSA-N 0 3 345.446 4.023 20 30 EIEDHN C=CCCC[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000537185801 1047025858 /nfs/dbraw/zinc/02/58/58/1047025858.db2.gz VBQPDCFNIQXVRC-RTBURBONSA-N 0 3 343.515 4.037 20 30 EIEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)c1nccn1-c1ccccc1 ZINC000806619100 1047329866 /nfs/dbraw/zinc/32/98/66/1047329866.db2.gz XSKVGDNKSPBUIB-AZUAARDMSA-N 0 3 329.447 4.158 20 30 EIEDHN CCCSCC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000918489676 1047457096 /nfs/dbraw/zinc/45/70/96/1047457096.db2.gz MFPIVKHKPRYBPT-CQSZACIVSA-N 0 3 330.478 4.438 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2cc(C)ccc2C)CC1 ZINC000106275709 1047671473 /nfs/dbraw/zinc/67/14/73/1047671473.db2.gz TYXCOMLLTWRQHG-GOSISDBHSA-N 0 3 343.515 4.046 20 30 EIEDHN N#CCC[C@H](C#N)CNC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000556483436 1047786214 /nfs/dbraw/zinc/78/62/14/1047786214.db2.gz WGHGKSSTEQMHSH-YLJYHZDGSA-N 0 3 342.446 4.333 20 30 EIEDHN C[C@@H](c1ccccc1)N(CCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC001168309408 1047817606 /nfs/dbraw/zinc/81/76/06/1047817606.db2.gz MDHJGLYZNAOTHS-AWEZNQCLSA-N 0 3 348.368 4.133 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000824468143 1047876856 /nfs/dbraw/zinc/87/68/56/1047876856.db2.gz CMUJYFOEJBHLBG-XCLFUZPHSA-N 0 3 342.389 4.423 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000824468141 1047877928 /nfs/dbraw/zinc/87/79/28/1047877928.db2.gz CMUJYFOEJBHLBG-RNODOKPDSA-N 0 3 342.389 4.423 20 30 EIEDHN COCc1ccccc1/C=C(\C)C=Nn1cnnc1-c1ccccc1 ZINC000814216884 1047891458 /nfs/dbraw/zinc/89/14/58/1047891458.db2.gz HIRNHKAMRLQCNW-VWJKXXJMSA-N 0 3 332.407 4.029 20 30 EIEDHN CC(=NNc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N ZINC000814796918 1048173374 /nfs/dbraw/zinc/17/33/74/1048173374.db2.gz WKXWOCMCKZNVJZ-UHFFFAOYSA-N 0 3 339.182 4.320 20 30 EIEDHN C=CCOc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000556911825 1048187392 /nfs/dbraw/zinc/18/73/92/1048187392.db2.gz PSSYFNFDCMAETB-OAHLLOKOSA-N 0 3 326.396 4.319 20 30 EIEDHN C=CCc1cc(OCC)cc(CN2CCC[C@H]2c2ccccn2)c1O ZINC000919952122 1048336634 /nfs/dbraw/zinc/33/66/34/1048336634.db2.gz RYXUMRAOUCFWPA-FQEVSTJZSA-N 0 3 338.451 4.252 20 30 EIEDHN C#Cc1ccc(CNCc2ccc(N(C)c3ccccc3)nc2)cc1 ZINC000809606478 1048414350 /nfs/dbraw/zinc/41/43/50/1048414350.db2.gz SXCPKTKVYDDVIR-UHFFFAOYSA-N 0 3 327.431 4.121 20 30 EIEDHN CC(C)(C)Oc1ccc([C@@H]2CCN(Cc3ccc(C#N)cn3)C2)cc1 ZINC001144169321 1048482844 /nfs/dbraw/zinc/48/28/44/1048482844.db2.gz FSNQZMPPXMGHNZ-GOSISDBHSA-N 0 3 335.451 4.120 20 30 EIEDHN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)CC1 ZINC000845441367 1048667015 /nfs/dbraw/zinc/66/70/15/1048667015.db2.gz DUGHGUNAEYRDGM-QGPMSJSTSA-N 0 3 334.419 4.313 20 30 EIEDHN CC1(C)Oc2ccc(NC(=N)c3ccc4cc(O)ccc4c3)cc2O1 ZINC001171182980 1048674331 /nfs/dbraw/zinc/67/43/31/1048674331.db2.gz YIUDVLBKVQCWEN-UHFFFAOYSA-N 0 3 334.375 4.090 20 30 EIEDHN CCN(CC)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1F ZINC000810216650 1048685997 /nfs/dbraw/zinc/68/59/97/1048685997.db2.gz MJZWKNKWKCSCTE-HXUWFJFHSA-N 0 3 337.442 4.321 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@@H](CO)c1ccc(Cl)cc1Cl ZINC001171190334 1048693400 /nfs/dbraw/zinc/69/34/00/1048693400.db2.gz SDKHEODUTMQDHE-SGTLLEGYSA-N 0 3 349.261 4.119 20 30 EIEDHN COc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1C#N ZINC000810250990 1048730119 /nfs/dbraw/zinc/73/01/19/1048730119.db2.gz RSDBBYVJDUDNHA-KRWDZBQOSA-N 0 3 349.478 4.408 20 30 EIEDHN N#CC(C(=O)CCCc1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000810520605 1048805690 /nfs/dbraw/zinc/80/56/90/1048805690.db2.gz YPMQCVAMOBFRGS-AWEZNQCLSA-N 0 3 337.810 4.415 20 30 EIEDHN CCC[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)c1ccccn1 ZINC000810520784 1048806241 /nfs/dbraw/zinc/80/62/41/1048806241.db2.gz JJJRSSVSFHFGLL-KGLIPLIRSA-N 0 3 335.432 4.451 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\C1CC[NH+](Cc2ccccc2)CC1 ZINC000920942517 1048817942 /nfs/dbraw/zinc/81/79/42/1048817942.db2.gz HXYIUAYNPNSCEO-BKUYFWCQSA-N 0 3 328.843 4.129 20 30 EIEDHN COc1ccc([C@H](C/N=C\c2ccccc2O)N2CCCCC2)cc1 ZINC000920944543 1048818741 /nfs/dbraw/zinc/81/87/41/1048818741.db2.gz OEKSLUDGISIACV-AHFVYKFHSA-N 0 3 338.451 4.047 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)N1CCSC[C@H]1c1ccc(F)cc1 ZINC001171224239 1048858879 /nfs/dbraw/zinc/85/88/79/1048858879.db2.gz QCMTUJFTZGZZFV-QRWLVFNGSA-N 0 3 340.467 4.418 20 30 EIEDHN C#C[C@H]1CCCN(Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000847022759 1048980442 /nfs/dbraw/zinc/98/04/42/1048980442.db2.gz XIVXTVNLMZOVTL-INIZCTEOSA-N 0 3 346.430 4.349 20 30 EIEDHN N#CC[C@@H]1CC[C@H](N[C@@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817585438 1049013831 /nfs/dbraw/zinc/01/38/31/1049013831.db2.gz MDYKGHCXHVDVSK-XHVZSJERSA-N 0 3 340.290 4.029 20 30 EIEDHN N#CCCN(C1CCCC1)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170879733 1049048042 /nfs/dbraw/zinc/04/80/42/1049048042.db2.gz RGGCIILTYZGPJG-GOSISDBHSA-N 0 3 347.300 4.465 20 30 EIEDHN Cc1ccc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc1[N+](=O)[O-] ZINC000175056228 1049074059 /nfs/dbraw/zinc/07/40/59/1049074059.db2.gz VLWVPBVPMFNDHR-HUUCEWRRSA-N 0 3 339.395 4.045 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCc3ccc(OC)cc32)c1 ZINC000772981775 1049166842 /nfs/dbraw/zinc/16/68/42/1049166842.db2.gz AYJGNIDTHFEWLA-UTKZUKDTSA-N 0 3 336.435 4.153 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc3c(c2)CCO3)c1 ZINC000772983461 1049197447 /nfs/dbraw/zinc/19/74/47/1049197447.db2.gz KINBHJUSJRSAHD-KXBFYZLASA-N 0 3 336.435 4.153 20 30 EIEDHN C=CCC1(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CCC1 ZINC001136363426 1049535732 /nfs/dbraw/zinc/53/57/32/1049535732.db2.gz XNTXMBNKHYKVTC-HXUWFJFHSA-N 0 3 340.511 4.322 20 30 EIEDHN COC(=O)c1cc2cc(CN(C)[C@@H](C)c3cccc(C#N)c3)ccc2o1 ZINC001171400309 1049621122 /nfs/dbraw/zinc/62/11/22/1049621122.db2.gz VXIYIXOLJIMJLX-AWEZNQCLSA-N 0 3 348.402 4.284 20 30 EIEDHN C=CCN(Cc1ccc(OCc2ccc(F)cc2)cc1)[C@H](C)COC ZINC001171915736 1049819182 /nfs/dbraw/zinc/81/91/82/1049819182.db2.gz GJERQBGRLLTQDD-QGZVFWFLSA-N 0 3 343.442 4.428 20 30 EIEDHN N#CCOc1cccc(CNCc2cccc(OC3CCCC3)c2)c1 ZINC000113347464 1049873432 /nfs/dbraw/zinc/87/34/32/1049873432.db2.gz DDDGQLWHQHBMPM-UHFFFAOYSA-N 0 3 336.435 4.200 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@H](CO)c1ccc(Cl)cc1Cl ZINC001172293094 1049881696 /nfs/dbraw/zinc/88/16/96/1049881696.db2.gz BFGXDGGCUXCQHT-KPZWWZAWSA-N 0 3 349.261 4.119 20 30 EIEDHN FC(F)(F)[C@H]1CN(C[C@H]2CCCCC2(F)F)C[C@H]1C(F)(F)F ZINC000649333010 1049922485 /nfs/dbraw/zinc/92/24/85/1049922485.db2.gz JPLANGRTNDWEPU-BBBLOLIVSA-N 0 3 339.270 4.485 20 30 EIEDHN CCCC[C@H]1C[C@@H](NCC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC001172621992 1049960126 /nfs/dbraw/zinc/96/01/26/1049960126.db2.gz KKUOZDMTAFXPLF-IRXDYDNUSA-N 0 3 349.519 4.228 20 30 EIEDHN CC(C)(C#N)CCCCN(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000618304441 1050336007 /nfs/dbraw/zinc/33/60/07/1050336007.db2.gz AJYHDKCLDQHIHK-INIZCTEOSA-N 0 3 342.405 4.132 20 30 EIEDHN C=CCOC1CCC(N2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001173327784 1050420620 /nfs/dbraw/zinc/42/06/20/1050420620.db2.gz RREVDYNTAOQWHR-CTWPCTMYSA-N 0 3 335.488 4.429 20 30 EIEDHN C=CCOC1CCC(NCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001173317264 1050439943 /nfs/dbraw/zinc/43/99/43/1050439943.db2.gz DVTNNSRQPUSRJB-UHFFFAOYSA-N 0 3 330.403 4.084 20 30 EIEDHN Cc1[nH]nc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C ZINC001178462322 1050473614 /nfs/dbraw/zinc/47/36/14/1050473614.db2.gz BJBBMZJCMHEBQO-INIZCTEOSA-N 0 3 330.435 4.416 20 30 EIEDHN CCN(C)c1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000773746724 1050482366 /nfs/dbraw/zinc/48/23/66/1050482366.db2.gz BFVCUJZDVQQFCP-UHFFFAOYSA-N 0 3 349.478 4.058 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(Br)c1 ZINC000618743085 1050503102 /nfs/dbraw/zinc/50/31/02/1050503102.db2.gz WDKOWXKVYYQJDC-QGZVFWFLSA-N 0 3 327.225 4.098 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(OC(F)(F)F)cc1 ZINC000618742174 1050504307 /nfs/dbraw/zinc/50/43/07/1050504307.db2.gz KMAWXXFKRLZRBQ-KRWDZBQOSA-N 0 3 332.325 4.234 20 30 EIEDHN C=CCC1(CNCc2c(F)cncc2Br)CCCC1 ZINC001178709916 1050536689 /nfs/dbraw/zinc/53/66/89/1050536689.db2.gz OLIPOWKXDRAGAF-UHFFFAOYSA-N 0 3 327.241 4.209 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC[C@H](C)SC)cc1 ZINC000773770105 1050553275 /nfs/dbraw/zinc/55/32/75/1050553275.db2.gz LTRGSLYICFPJFB-YOEHRIQHSA-N 0 3 346.496 4.208 20 30 EIEDHN N#Cc1ccc(CCNCc2csc(-c3cccs3)n2)cc1 ZINC001179142392 1050632341 /nfs/dbraw/zinc/63/23/41/1050632341.db2.gz HDSNVBPLACSXFY-UHFFFAOYSA-N 0 3 325.462 4.076 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)C(O)(CC)CC ZINC001179135162 1050637873 /nfs/dbraw/zinc/63/78/73/1050637873.db2.gz GXJCJDPNETUREH-UHFFFAOYSA-N 0 3 337.891 4.019 20 30 EIEDHN CC[C@H](c1ccccc1)N1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC001179878885 1050815898 /nfs/dbraw/zinc/81/58/98/1050815898.db2.gz UUCWHBLTBPBIAR-JOCHJYFZSA-N 0 3 333.479 4.136 20 30 EIEDHN COc1cc(CNCc2ccc(C(F)(F)F)cc2C)ccc1C#N ZINC000619654699 1050846827 /nfs/dbraw/zinc/84/68/27/1050846827.db2.gz CHZJYLHNYWIPGQ-UHFFFAOYSA-N 0 3 334.341 4.184 20 30 EIEDHN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000619754799 1050883343 /nfs/dbraw/zinc/88/33/43/1050883343.db2.gz KUKOEIBSQCZLAU-QGZVFWFLSA-N 0 3 330.790 4.136 20 30 EIEDHN CCc1nc2c(s1)[C@@H](NCc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619755575 1050883906 /nfs/dbraw/zinc/88/39/06/1050883906.db2.gz ZVMSFGXRLDGUHN-AWEZNQCLSA-N 0 3 331.872 4.398 20 30 EIEDHN C=CC[C@@H](CC)NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001181264842 1051194305 /nfs/dbraw/zinc/19/43/05/1051194305.db2.gz ARXHHLMBVMVEAK-LLVKDONJSA-N 0 3 325.243 4.018 20 30 EIEDHN N#Cc1ccc(C2CCN(C/C=C\c3ccc(Cl)cc3)CC2)nc1 ZINC001174872944 1051225056 /nfs/dbraw/zinc/22/50/56/1051225056.db2.gz LKMSSKJIXLUFCA-UPHRSURJSA-N 0 3 337.854 4.499 20 30 EIEDHN C#CC[C@@H](NCc1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 ZINC000775400442 1051229191 /nfs/dbraw/zinc/22/91/91/1051229191.db2.gz PJGGRXKHLXJZRG-JOCHJYFZSA-N 0 3 329.447 4.343 20 30 EIEDHN C#CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC001190708920 1051249368 /nfs/dbraw/zinc/24/93/68/1051249368.db2.gz YTDPNYNHSIVJSM-UHFFFAOYSA-N 0 3 335.369 4.205 20 30 EIEDHN N#Cc1ccc(CN2CCC[C@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001190781631 1051277644 /nfs/dbraw/zinc/27/76/44/1051277644.db2.gz UJCRRNAGEFAWBA-SFHVURJKSA-N 0 3 335.407 4.236 20 30 EIEDHN C=CCN(Cc1cc(C(=O)OC)ccc1OC)CC1CCCCC1 ZINC001190986187 1051319329 /nfs/dbraw/zinc/31/93/29/1051319329.db2.gz WJWOOYSSOSOOLO-UHFFFAOYSA-N 0 3 331.456 4.050 20 30 EIEDHN CC[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC001191232111 1051405401 /nfs/dbraw/zinc/40/54/01/1051405401.db2.gz GFZPXHNFXUQYQH-LEWJYISDSA-N 0 3 347.462 4.155 20 30 EIEDHN CCN(CC#Cc1ccc(Cl)cc1)[C@H](COC)Cc1ccccc1 ZINC001191454127 1051457317 /nfs/dbraw/zinc/45/73/17/1051457317.db2.gz MLSFQTGNYXFOFZ-NRFANRHFSA-N 0 3 341.882 4.271 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCNc3ccccc32)c1 ZINC000774245212 1051520449 /nfs/dbraw/zinc/52/04/49/1051520449.db2.gz SBVKKQZUUNEQKK-DYESRHJHSA-N 0 3 335.451 4.404 20 30 EIEDHN CCCCN(Cc1cccc(F)c1C#N)[C@H]1CCc2ncsc2C1 ZINC001182716034 1051682409 /nfs/dbraw/zinc/68/24/09/1051682409.db2.gz TYKORFKFTXHZPF-HNNXBMFYSA-N 0 3 343.471 4.313 20 30 EIEDHN COc1ccc(C#N)cc1CN1CCC(Cc2ccc(C)cc2)CC1 ZINC001192470573 1051730865 /nfs/dbraw/zinc/73/08/65/1051730865.db2.gz DACWWVZYEUBNQS-UHFFFAOYSA-N 0 3 334.463 4.330 20 30 EIEDHN CC(C)(C)C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC001192654047 1051780477 /nfs/dbraw/zinc/78/04/77/1051780477.db2.gz TYCWJDMRTHIAQQ-IBGZPJMESA-N 0 3 335.451 4.264 20 30 EIEDHN CC1(C)[C@@H](c2cccc(Cl)c2)CCN1Cc1cncc(C#N)c1 ZINC001175873189 1051830756 /nfs/dbraw/zinc/83/07/56/1051830756.db2.gz NLXHPSMATVBRMI-GOSISDBHSA-N 0 3 325.843 4.375 20 30 EIEDHN C[C@@H]1CCC[C@@H](CCN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001193324977 1051900501 /nfs/dbraw/zinc/90/05/01/1051900501.db2.gz XEXWBDCZNKLYKQ-LQWHRVPQSA-N 0 3 343.490 4.224 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(C)(C(C)C)CC1 ZINC001193616125 1051955487 /nfs/dbraw/zinc/95/54/87/1051955487.db2.gz JAOMHDACHJBKLU-QGZVFWFLSA-N 0 3 348.556 4.409 20 30 EIEDHN CC(C)C[C@H](Cc1cccc(Cl)c1)NCC1(C#N)CCOCC1 ZINC001184278856 1051985851 /nfs/dbraw/zinc/98/58/51/1051985851.db2.gz WFWJLFPMTZNTAG-GOSISDBHSA-N 0 3 334.891 4.207 20 30 EIEDHN Cc1cccc(C(C)(C)C)c1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001184591289 1052049351 /nfs/dbraw/zinc/04/93/51/1052049351.db2.gz GDEIBWVQQNFWSR-OAHLLOKOSA-N 0 3 344.480 4.099 20 30 EIEDHN C=CCCCN(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000172174830 1052482139 /nfs/dbraw/zinc/48/21/39/1052482139.db2.gz OBRSQFWXWYIUFB-UHFFFAOYSA-N 0 3 338.451 4.140 20 30 EIEDHN C=CCC[C@@H](NCC(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000180045828 1052775452 /nfs/dbraw/zinc/77/54/52/1052775452.db2.gz ICPPDKMXEWDKRF-GOSISDBHSA-N 0 3 338.451 4.321 20 30 EIEDHN C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000193089373 1053023156 /nfs/dbraw/zinc/02/31/56/1053023156.db2.gz URGWCVGVWMMQHL-UWJYYQICSA-N 0 3 347.462 4.063 20 30 EIEDHN N#Cc1ccc(CN[C@H]2CCCc3cc(Br)ccc32)cc1 ZINC000794794521 1053386125 /nfs/dbraw/zinc/38/61/25/1053386125.db2.gz DUYYIWQDPBGHQG-SFHVURJKSA-N 0 3 341.252 4.488 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000853094294 1053643408 /nfs/dbraw/zinc/64/34/08/1053643408.db2.gz APTUSFYPQHEARQ-CVEARBPZSA-N 0 3 336.435 4.153 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCc3cc(OC)ccc32)c1 ZINC000866296310 1053681172 /nfs/dbraw/zinc/68/11/72/1053681172.db2.gz AJTIMPZMLGJUCT-LAUBAEHRSA-N 0 3 336.435 4.153 20 30 EIEDHN C=C(C)[C@H](NC[C@@H](O)c1ccc(F)cc1C)c1ccc(F)c(F)c1 ZINC000775726238 1053694538 /nfs/dbraw/zinc/69/45/38/1053694538.db2.gz ZSFDYCUQMGMZBY-MOPGFXCFSA-N 0 3 335.369 4.353 20 30 EIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1cc(C#N)ccc1F ZINC000552271051 1053846694 /nfs/dbraw/zinc/84/66/94/1053846694.db2.gz PKGZEMXPUHLLRH-DUXKGJEZSA-N 0 3 338.426 4.138 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(F)cc2C)ccc1OC ZINC000113348226 1053924686 /nfs/dbraw/zinc/92/46/86/1053924686.db2.gz BIKZFDIYXZHBBA-SFHVURJKSA-N 0 3 342.414 4.114 20 30 EIEDHN C=CCOc1cccc(CNCc2cccc(O[C@H](C#N)CC)c2)c1 ZINC000113961722 1054033366 /nfs/dbraw/zinc/03/33/66/1054033366.db2.gz KYMZCJQIZFVSKA-IBGZPJMESA-N 0 3 336.435 4.222 20 30 EIEDHN COCC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCCCC1 ZINC000857011077 1054151334 /nfs/dbraw/zinc/15/13/34/1054151334.db2.gz IOMODVIRWAKWPT-ZDUSSCGKSA-N 0 3 346.427 4.209 20 30 EIEDHN CCN(Cc1ccccc1)c1ccc(CN2CCC(C#N)CC2)cc1 ZINC000123673700 1054221496 /nfs/dbraw/zinc/22/14/96/1054221496.db2.gz OZXONDIXYSGTJU-UHFFFAOYSA-N 0 3 333.479 4.449 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017339 1054401969 /nfs/dbraw/zinc/40/19/69/1054401969.db2.gz NPKYQVQOYRRTCM-KKSFZXQISA-N 0 3 347.462 4.435 20 30 EIEDHN CC(C)(C)OC(=O)Nc1cc(F)cc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000872125330 1054403799 /nfs/dbraw/zinc/40/37/99/1054403799.db2.gz ZALAGEJASFNWTQ-BBRMVZONSA-N 0 3 347.434 4.345 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052185 1054411008 /nfs/dbraw/zinc/41/10/08/1054411008.db2.gz UYTXJPFFSGZINQ-YWZLYKJASA-N 0 3 333.435 4.045 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000860469136 1054819326 /nfs/dbraw/zinc/81/93/26/1054819326.db2.gz PCJWTESIIIAVEL-GGPKGHCWSA-N 0 3 346.430 4.226 20 30 EIEDHN C[C@@]12CCN(Cc3ccc(C4(C#N)CC4)cc3)C[C@@H]1C2(Cl)Cl ZINC000825824690 1054824063 /nfs/dbraw/zinc/82/40/63/1054824063.db2.gz MNQAEQQJQPIIHQ-JKSUJKDBSA-N 0 3 335.278 4.257 20 30 EIEDHN CCCCCCCN1Cc2cnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001201777276 1054917209 /nfs/dbraw/zinc/91/72/09/1054917209.db2.gz VAVMWOVPOMJHJX-LJQANCHMSA-N 0 3 333.520 4.199 20 30 EIEDHN CCCCCCCCCCN1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001201852896 1054922375 /nfs/dbraw/zinc/92/23/75/1054922375.db2.gz QVBDNGHPUJXPCP-IBGZPJMESA-N 0 3 335.536 4.497 20 30 EIEDHN CCCCCCCCCN1CCCn2nc(C(=O)OCC)cc2C1 ZINC001201838949 1054930644 /nfs/dbraw/zinc/93/06/44/1054930644.db2.gz GQZOQTPGNHUUFK-UHFFFAOYSA-N 0 3 335.492 4.016 20 30 EIEDHN CCCCCCCCCN1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001201846303 1054932992 /nfs/dbraw/zinc/93/29/92/1054932992.db2.gz HJJULOASLJJWFW-UHFFFAOYSA-N 0 3 347.547 4.455 20 30 EIEDHN Cc1cc(Br)cc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1[O-] ZINC000776220644 1054936908 /nfs/dbraw/zinc/93/69/08/1054936908.db2.gz YFHSKTIYKVEUGC-GFCCVEGCSA-N 0 3 345.240 4.186 20 30 EIEDHN C#CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])c1ccccc1 ZINC000776253127 1055061192 /nfs/dbraw/zinc/06/11/92/1055061192.db2.gz SDAZXLIRKXEDDM-QGZVFWFLSA-N 0 3 344.252 4.317 20 30 EIEDHN CC(C)CCO[C@H]1CC[C@H](NCc2cc(C#N)cnc2Cl)CC1 ZINC000877654917 1055100965 /nfs/dbraw/zinc/10/09/65/1055100965.db2.gz KVJWMKXCCADLFU-QAQDUYKDSA-N 0 3 335.879 4.070 20 30 EIEDHN N#Cc1ccc(OC2CCN(CCCC(F)(F)F)CC2)cc1Cl ZINC001202432913 1055183636 /nfs/dbraw/zinc/18/36/36/1055183636.db2.gz BSOSAKLZYUEVAD-UHFFFAOYSA-N 0 3 346.780 4.397 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN1CC[C@@H](c2ccc(C)cc2)C1)c1ccccc1 ZINC000878405588 1055295902 /nfs/dbraw/zinc/29/59/02/1055295902.db2.gz IHBRZFCKTOVZGA-GGAORHGYSA-N 0 3 346.474 4.225 20 30 EIEDHN N#Cc1cc(F)c(N[C@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000301340597 1055925572 /nfs/dbraw/zinc/92/55/72/1055925572.db2.gz IFHPYYJNZOJHES-GOSISDBHSA-N 0 3 327.378 4.085 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1NCc1ccccc1CN1CCCCC1 ZINC000302067683 1056012717 /nfs/dbraw/zinc/01/27/17/1056012717.db2.gz WSVUHJPADOQSPA-UHFFFAOYSA-N 0 3 347.462 4.359 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000554831534 1056368661 /nfs/dbraw/zinc/36/86/61/1056368661.db2.gz SNZIJFOYGZJMMF-INIZCTEOSA-N 0 3 349.453 4.285 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3c[nH]c4c3cccc4C)nc21 ZINC000741442653 1058216115 /nfs/dbraw/zinc/21/61/15/1058216115.db2.gz MSJLLDUUQCGTMJ-INIZCTEOSA-N 0 3 342.402 4.080 20 30 EIEDHN COc1ccc(CN[C@H](C)c2ccccc2C(F)(F)F)cc1C#N ZINC000742367496 1058578131 /nfs/dbraw/zinc/57/81/31/1058578131.db2.gz ADUALUWAWJTAGC-GFCCVEGCSA-N 0 3 334.341 4.436 20 30 EIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743261774 1058905203 /nfs/dbraw/zinc/90/52/03/1058905203.db2.gz KGBDAMFOEDOQMY-OAQYLSRUSA-N 0 3 325.452 4.034 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2ccco2)cc1 ZINC000744033331 1059235867 /nfs/dbraw/zinc/23/58/67/1059235867.db2.gz PIBWNIAXRSCJRY-GRDNDAEWSA-N 0 3 338.407 4.244 20 30 EIEDHN C=CCOCCN1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001169761736 1060949186 /nfs/dbraw/zinc/94/91/86/1060949186.db2.gz NZQPROPJCUCQRD-UHFFFAOYSA-N 0 3 347.352 4.048 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(Br)s2)cc1 ZINC000037985143 213183943 /nfs/dbraw/zinc/18/39/43/213183943.db2.gz LADOJQXBCDHCEW-UHFFFAOYSA-N 0 3 338.270 4.365 20 30 EIEDHN CC(C)CN(CC(=O)c1cn(CCC#N)c2ccccc12)C(C)C ZINC000174818443 1032409412 /nfs/dbraw/zinc/40/94/12/1032409412.db2.gz SGFGIAUKWLEHHI-UHFFFAOYSA-N 0 3 325.456 4.104 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C2CCC(C)CC2)c1 ZINC000302742714 1032503184 /nfs/dbraw/zinc/50/31/84/1032503184.db2.gz SHRXFJQIIVPZAH-UHFFFAOYSA-N 0 3 341.499 4.061 20 30 EIEDHN CC(C)CCOC1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000179332559 1032558630 /nfs/dbraw/zinc/55/86/30/1032558630.db2.gz KOMPZOJQXMORFD-UHFFFAOYSA-N 0 3 344.499 4.396 20 30 EIEDHN C=CCCCCCN(C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000533288562 1032599323 /nfs/dbraw/zinc/59/93/23/1032599323.db2.gz OPRQJBMBLRPQRY-IAGOWNOFSA-N 0 3 334.529 4.478 20 30 EIEDHN CCC(CC)N(CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000533406367 1032737324 /nfs/dbraw/zinc/73/73/24/1032737324.db2.gz WHYMIVZYJVYVSA-UHFFFAOYSA-N 0 3 337.467 4.391 20 30 EIEDHN N#CCCC1CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000579714734 1018807375 /nfs/dbraw/zinc/80/73/75/1018807375.db2.gz RRIXQVYNOAGWHG-UHFFFAOYSA-N 0 3 335.451 4.176 20 30 EIEDHN C=C(C)COc1cc(CN2CCC3(CC3(F)F)CC2)ccc1OC ZINC000651953290 1019030565 /nfs/dbraw/zinc/03/05/65/1019030565.db2.gz BGDPHBZRNJFVES-UHFFFAOYSA-N 0 3 337.410 4.271 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000154343444 1019732307 /nfs/dbraw/zinc/73/23/07/1019732307.db2.gz BKWBCFQOGYQWSR-JKSUJKDBSA-N 0 3 333.435 4.097 20 30 EIEDHN CCCOCc1ccccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000236893261 1032866547 /nfs/dbraw/zinc/86/65/47/1032866547.db2.gz SERXJHVIKRQUBI-QGZVFWFLSA-N 0 3 338.451 4.194 20 30 EIEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)c1cccc(C)c1 ZINC000728915928 1032863932 /nfs/dbraw/zinc/86/39/32/1032863932.db2.gz MLLDTCOTBOGVJZ-MRXNPFEDSA-N 0 3 349.459 4.308 20 30 EIEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)c1ccc(C)cc1 ZINC000728918489 1032870927 /nfs/dbraw/zinc/87/09/27/1032870927.db2.gz ZKMWWQWAUABLFG-INIZCTEOSA-N 0 3 349.459 4.308 20 30 EIEDHN C=CCCOCCN[C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000537951846 1020487312 /nfs/dbraw/zinc/48/73/12/1020487312.db2.gz DTVFNVZNVZVCET-CQSZACIVSA-N 0 3 333.863 4.077 20 30 EIEDHN FC(F)(F)Oc1ccc(C#CCN2CC[C@@H](c3ccccc3)C2)cc1 ZINC001167206168 1020547800 /nfs/dbraw/zinc/54/78/00/1020547800.db2.gz MJGPZSJIDPPTQS-GOSISDBHSA-N 0 3 345.364 4.426 20 30 EIEDHN COc1ccc([C@@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)cc1 ZINC001167285964 1020851562 /nfs/dbraw/zinc/85/15/62/1020851562.db2.gz DFGLWDRZGUHHAA-GOSISDBHSA-N 0 3 325.839 4.190 20 30 EIEDHN C[C@H](NCc1cccc(OCc2ccccn2)c1)c1cccc(C#N)c1 ZINC000610344941 1021339921 /nfs/dbraw/zinc/33/99/21/1021339921.db2.gz OEECIULHTSZVCD-KRWDZBQOSA-N 0 3 343.430 4.383 20 30 EIEDHN Cc1ccc([C@@H](CNc2ccc(Cl)cc2C#N)N2CCCC2)o1 ZINC000511379727 1021381843 /nfs/dbraw/zinc/38/18/43/1021381843.db2.gz QJDSUJURNTTYLW-QGZVFWFLSA-N 0 3 329.831 4.362 20 30 EIEDHN CC(C)[C@@H](NCCCC(C)(C)C#N)c1nc(-c2ccccc2)no1 ZINC000376149504 1021593528 /nfs/dbraw/zinc/59/35/28/1021593528.db2.gz IYLJEEYCMPYIOP-MRXNPFEDSA-N 0 3 326.444 4.353 20 30 EIEDHN CCCc1noc(-c2cccc(CN[C@H](C)c3cccc(C#N)c3)c2)n1 ZINC000376167455 1021641766 /nfs/dbraw/zinc/64/17/66/1021641766.db2.gz QZVGNSRPFFFPHS-OAHLLOKOSA-N 0 3 346.434 4.412 20 30 EIEDHN Cc1ccccc1-n1nccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000581478519 1021853461 /nfs/dbraw/zinc/85/34/61/1021853461.db2.gz VCCJYGWTGTZYEY-OAQYLSRUSA-N 0 3 342.446 4.220 20 30 EIEDHN Cc1csc(C(C#N)=C([O-])c2cccc(Br)c2C)n1 ZINC000173898670 1021982805 /nfs/dbraw/zinc/98/28/05/1021982805.db2.gz WNLYWYRXCTXXIC-LLVKDONJSA-N 0 3 335.226 4.013 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cccc(Br)c2C)n1 ZINC000173898670 1021982820 /nfs/dbraw/zinc/98/28/20/1021982820.db2.gz WNLYWYRXCTXXIC-LLVKDONJSA-N 0 3 335.226 4.013 20 30 EIEDHN CC(C)(CC#N)CN[C@H]1CCCOc2c(Br)cccc21 ZINC000414174918 1022034959 /nfs/dbraw/zinc/03/49/59/1022034959.db2.gz YNGFYMWHGMLRKS-AWEZNQCLSA-N 0 3 337.261 4.192 20 30 EIEDHN CC(=O)c1cc(C(=O)C(C#N)c2ccc3ccccc3n2)ccc1C ZINC000684011032 1022348687 /nfs/dbraw/zinc/34/86/87/1022348687.db2.gz NGCUIJYUZCAIOL-SFHVURJKSA-N 0 3 328.371 4.236 20 30 EIEDHN COc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1OC(F)F ZINC000188046772 1022422202 /nfs/dbraw/zinc/42/22/02/1022422202.db2.gz VUVHAGQJJRYXQE-ZDUSSCGKSA-N 0 3 346.377 4.361 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000180345639 1022576102 /nfs/dbraw/zinc/57/61/02/1022576102.db2.gz YQYRHTRNFDEZSC-CVEARBPZSA-N 0 3 336.819 4.032 20 30 EIEDHN C=C[C@H](CC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000533919624 1022746967 /nfs/dbraw/zinc/74/69/67/1022746967.db2.gz SGWCZGGVRZPUKD-JQVVWYNYSA-N 0 3 348.490 4.298 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccc(OC(F)F)cc2)C2CC2)cc1 ZINC000541392593 1022766678 /nfs/dbraw/zinc/76/66/78/1022766678.db2.gz IQHVHPQMRGQAET-UHFFFAOYSA-N 0 3 328.362 4.324 20 30 EIEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1cc2ccccc2s1 ZINC000581062655 1022816958 /nfs/dbraw/zinc/81/69/58/1022816958.db2.gz KPUNZFYZRSDOKY-CYBMUJFWSA-N 0 3 332.432 4.271 20 30 EIEDHN CCOc1ccc(CNCc2cccc(OCCCC#N)c2)cc1F ZINC000106244095 1022857089 /nfs/dbraw/zinc/85/70/89/1022857089.db2.gz JDIGCMYSSVKENS-UHFFFAOYSA-N 0 3 342.414 4.197 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccc(Cl)cc1 ZINC000122179696 1022919975 /nfs/dbraw/zinc/91/99/75/1022919975.db2.gz HOULZBHQEPCFTD-HNNXBMFYSA-N 0 3 337.810 4.036 20 30 EIEDHN C[C@H](c1ccccc1)N(CC(=O)Nc1ccc(C#N)cc1)CC1CCC1 ZINC001167452366 1022929853 /nfs/dbraw/zinc/92/98/53/1022929853.db2.gz BJEHOENCDFCJSC-QGZVFWFLSA-N 0 3 347.462 4.360 20 30 EIEDHN CCOc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1OCC ZINC000181386521 1023017103 /nfs/dbraw/zinc/01/71/03/1023017103.db2.gz XPWATHJLCIGIJZ-CQSZACIVSA-N 0 3 342.414 4.346 20 30 EIEDHN CC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)c1ccc(C)cc1 ZINC000126483215 1023052222 /nfs/dbraw/zinc/05/22/22/1023052222.db2.gz NSJWVKMLISSURF-QGZVFWFLSA-N 0 3 341.480 4.224 20 30 EIEDHN CCOc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430584109 1023113988 /nfs/dbraw/zinc/11/39/88/1023113988.db2.gz NYWAFKIESDKVDU-AWEZNQCLSA-N 0 3 328.437 4.329 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3ncccc3c2)s1 ZINC000430590686 1023132627 /nfs/dbraw/zinc/13/26/27/1023132627.db2.gz IENOOQNERSAYAM-AWEZNQCLSA-N 0 3 335.432 4.479 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@]3(C)c3ccccc3)nc21 ZINC000892704455 1023241950 /nfs/dbraw/zinc/24/19/50/1023241950.db2.gz MHNNHDGCJUUXBD-VWKPWSFCSA-N 0 3 329.403 4.025 20 30 EIEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H]1CCCCO1 ZINC000472752438 1023502268 /nfs/dbraw/zinc/50/22/68/1023502268.db2.gz PNRQROKEMWYWOW-JOCHJYFZSA-N 0 3 348.490 4.387 20 30 EIEDHN C=CCC[C@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000472757318 1023509014 /nfs/dbraw/zinc/50/90/14/1023509014.db2.gz XOQHLGFNYZHSEC-NRFANRHFSA-N 0 3 338.426 4.027 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc(-c2ccncc2)s1 ZINC000418138344 1023554413 /nfs/dbraw/zinc/55/44/13/1023554413.db2.gz CSIDPNDCXLTLIG-IBGZPJMESA-N 0 3 346.459 4.244 20 30 EIEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511799192 1023890579 /nfs/dbraw/zinc/89/05/79/1023890579.db2.gz FSFDEABOGLUBQT-COXVUDFISA-N 0 3 335.373 4.375 20 30 EIEDHN N#Cc1ccc(OCCN[C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000341584253 1023891360 /nfs/dbraw/zinc/89/13/60/1023891360.db2.gz IUVWURFJNNHWAG-KRWDZBQOSA-N 0 3 334.341 4.220 20 30 EIEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000661117150 1024249834 /nfs/dbraw/zinc/24/98/34/1024249834.db2.gz PESBYPPDWZIAPS-ZFWWWQNUSA-N 0 3 337.423 4.306 20 30 EIEDHN C=CCC[C@H](NC(=O)[C@@H](CC)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC001137721480 1024286543 /nfs/dbraw/zinc/28/65/43/1024286543.db2.gz CLCDPICGDCMUOC-JKSUJKDBSA-N 0 3 342.405 4.169 20 30 EIEDHN C=CCC1(NCc2nc(-c3cc(F)c(F)c(F)c3)no2)CCCC1 ZINC000661864136 1024612537 /nfs/dbraw/zinc/61/25/37/1024612537.db2.gz MUJUHKJNZHDZNI-UHFFFAOYSA-N 0 3 337.345 4.132 20 30 EIEDHN CC(C)c1ccc([C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(C)C)cc1 ZINC000510923213 1024824731 /nfs/dbraw/zinc/82/47/31/1024824731.db2.gz XAALQDHTKBUWEX-SFTDATJTSA-N 0 3 343.515 4.151 20 30 EIEDHN CN(CCOc1ccccc1F)Cc1ccccc1C(C)(C)C#N ZINC000487375330 1024841110 /nfs/dbraw/zinc/84/11/10/1024841110.db2.gz JQUDEKZAAHWMHL-UHFFFAOYSA-N 0 3 326.415 4.138 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(CCC(F)(F)F)cc2)n1 ZINC000151998238 1025171290 /nfs/dbraw/zinc/17/12/90/1025171290.db2.gz RUFLFSUFNHIXJN-CYBMUJFWSA-N 0 3 338.354 4.437 20 30 EIEDHN Cc1ccc([C@@H](Cn2ccnc2)N[C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000610998936 1025253515 /nfs/dbraw/zinc/25/35/15/1025253515.db2.gz VXWTUECUSDAQRE-PGRDOPGGSA-N 0 3 344.462 4.464 20 30 EIEDHN C=CCOCCN(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000549824240 1033273080 /nfs/dbraw/zinc/27/30/80/1033273080.db2.gz JXWKXMRECSIUKR-CQSZACIVSA-N 0 3 342.302 4.120 20 30 EIEDHN COc1ccc(CN(Cc2ccc(C#N)s2)[C@@H](C)C2CC2)cc1 ZINC000506725634 1025487895 /nfs/dbraw/zinc/48/78/95/1025487895.db2.gz IBFJXIZJJXXZOO-AWEZNQCLSA-N 0 3 326.465 4.429 20 30 EIEDHN COc1ccc(CNCc2cccc(C#N)c2)cc1OCCC(C)C ZINC000066971912 1025620303 /nfs/dbraw/zinc/62/03/03/1025620303.db2.gz IRIMDEARRNITQF-UHFFFAOYSA-N 0 3 338.451 4.282 20 30 EIEDHN COCC#CCN(Cc1ccc(-c2ccccc2OC)cc1)C(C)C ZINC001167543594 1026032240 /nfs/dbraw/zinc/03/22/40/1026032240.db2.gz COZFBOUPVMGLAB-UHFFFAOYSA-N 0 3 337.463 4.222 20 30 EIEDHN N#Cc1ccc(-c2cc(NCCc3ccccn3)ccn2)cc1Cl ZINC000585818505 1026046185 /nfs/dbraw/zinc/04/61/85/1026046185.db2.gz GLKLRMMUJGGWCY-UHFFFAOYSA-N 0 3 334.810 4.323 20 30 EIEDHN COc1cc(CN[C@@H](C)c2cccc(Br)c2)ccc1C#N ZINC000234938425 1026136879 /nfs/dbraw/zinc/13/68/79/1026136879.db2.gz DFMDIBIZSHGBOQ-LBPRGKRZSA-N 0 3 345.240 4.180 20 30 EIEDHN Cc1nc2c(s1)[C@H](N(C)Cc1c(C)cc(C#N)cc1C)CCC2 ZINC001167859440 1026294312 /nfs/dbraw/zinc/29/43/12/1026294312.db2.gz ICIBNJDXHVODHU-GOSISDBHSA-N 0 3 325.481 4.449 20 30 EIEDHN Cc1ccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000348867886 1026298084 /nfs/dbraw/zinc/29/80/84/1026298084.db2.gz JHXRYEJWGYPUHM-UHFFFAOYSA-N 0 3 330.428 4.111 20 30 EIEDHN N#Cc1cc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cs1 ZINC000892224425 1026354105 /nfs/dbraw/zinc/35/41/05/1026354105.db2.gz DMNMXCMEYHBCFF-NVXWUHKLSA-N 0 3 330.453 4.081 20 30 EIEDHN CC(C)CC[C@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000158147923 1026525060 /nfs/dbraw/zinc/52/50/60/1026525060.db2.gz WPLGHCKXAROVOI-GOSISDBHSA-N 0 3 338.455 4.399 20 30 EIEDHN C[C@H](NC1(CCOCc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512284069 1026647352 /nfs/dbraw/zinc/64/73/52/1026647352.db2.gz WTMHYZSYAKIRLW-INIZCTEOSA-N 0 3 338.426 4.487 20 30 EIEDHN N#CC(C(=O)c1cncc(C(F)(F)F)c1)c1nccc2ccccc21 ZINC000344878743 1026691947 /nfs/dbraw/zinc/69/19/47/1026691947.db2.gz IZCVIXOYMAZXEB-OAHLLOKOSA-N 0 3 341.292 4.139 20 30 EIEDHN N#CC(C(=O)CCSc1ccccc1F)c1nc2ccccc2[nH]1 ZINC000048790242 1026847770 /nfs/dbraw/zinc/84/77/70/1026847770.db2.gz OAHAYGLRPRPURM-GFCCVEGCSA-N 0 3 339.395 4.061 20 30 EIEDHN C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000178643389 1027059023 /nfs/dbraw/zinc/05/90/23/1027059023.db2.gz VXOAILSOWRSKJB-HOTGVXAUSA-N 0 3 333.435 4.097 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cc(Br)ccc2C)n1 ZINC000076763853 1027093374 /nfs/dbraw/zinc/09/33/74/1027093374.db2.gz GAUNFMQJOHANER-LBPRGKRZSA-N 0 3 335.226 4.013 20 30 EIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccnc(OC(F)F)c1 ZINC000342813718 1027108214 /nfs/dbraw/zinc/10/82/14/1027108214.db2.gz JVBCRVXOTPGEML-QGZVFWFLSA-N 0 3 343.377 4.112 20 30 EIEDHN CC(C)(C)c1cc(Nc2c(C#N)cnnc2-c2ccccc2)ccn1 ZINC001213163984 1027149703 /nfs/dbraw/zinc/14/97/03/1027149703.db2.gz FIIZXSDIUBSQLY-UHFFFAOYSA-N 0 3 329.407 4.451 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OCCc2ccccc2)CC1 ZINC000186597948 1027605587 /nfs/dbraw/zinc/60/55/87/1027605587.db2.gz IDEBOKPCUWHBHH-GOSISDBHSA-N 0 3 334.463 4.343 20 30 EIEDHN CN(CCCCC(C)(C)C#N)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000444647800 1027916525 /nfs/dbraw/zinc/91/65/25/1027916525.db2.gz FUUHPBXYAHHQPM-IBGZPJMESA-N 0 3 342.462 4.300 20 30 EIEDHN COc1ccc([C@@H](NCc2ccc(CC#N)cc2)C(C)C)c(F)c1 ZINC000583143625 1028075145 /nfs/dbraw/zinc/07/51/45/1028075145.db2.gz BYGHFOGDYJPRBJ-FQEVSTJZSA-N 0 3 326.415 4.387 20 30 EIEDHN CN(C)Cc1cccc(NC(=O)C2CCC(NC(=O)C3CC3)CC2)c1 ZINC000329949505 1028162989 /nfs/dbraw/zinc/16/29/89/1028162989.db2.gz HKOWKQUYPOSZCY-UHFFFAOYSA-N 0 3 343.471 4.262 20 30 EIEDHN C=C1CC(c2noc([C@H]3CCCN(Cc4cccc(F)c4)C3)n2)C1 ZINC000896885518 1028177640 /nfs/dbraw/zinc/17/76/40/1028177640.db2.gz ZKMVUSNHQNGTPU-HNNXBMFYSA-N 0 3 327.403 4.022 20 30 EIEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000154472930 1028225760 /nfs/dbraw/zinc/22/57/60/1028225760.db2.gz WZNZAFSXRWIERT-UHFFFAOYSA-N 0 3 330.435 4.096 20 30 EIEDHN CCC(CC)N(CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000583286541 1028423965 /nfs/dbraw/zinc/42/39/65/1028423965.db2.gz UPLHTFTWHMJGCU-HNNXBMFYSA-N 0 3 347.528 4.387 20 30 EIEDHN C=CCCCCN[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000583297414 1028462051 /nfs/dbraw/zinc/46/20/51/1028462051.db2.gz SJTIIJLEMGZMAS-FQEVSTJZSA-N 0 3 343.492 4.125 20 30 EIEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000524148140 1028709078 /nfs/dbraw/zinc/70/90/78/1028709078.db2.gz GKZMFWPYJQRSKS-QUCCMNQESA-N 0 3 343.515 4.210 20 30 EIEDHN C=CCN1CCC(NC(=O)c2cc(C)c(-c3ccccc3)s2)CC1 ZINC000583639589 1028986302 /nfs/dbraw/zinc/98/63/02/1028986302.db2.gz LEHOJNOFTYAIPZ-UHFFFAOYSA-N 0 3 340.492 4.104 20 30 EIEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCCCC12CCCC2 ZINC000329625122 1029537130 /nfs/dbraw/zinc/53/71/30/1029537130.db2.gz OLPAMWOTQVVILM-ZWKOTPCHSA-N 0 3 344.503 4.073 20 30 EIEDHN CC(C)(C)[C@H]1CCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000525274074 1029543909 /nfs/dbraw/zinc/54/39/09/1029543909.db2.gz CLBIGAHDSVFGLZ-QGZVFWFLSA-N 0 3 347.890 4.097 20 30 EIEDHN N#Cc1ccc(CNCCc2csc(-c3ccc(Cl)cc3)n2)o1 ZINC000179049170 1029624174 /nfs/dbraw/zinc/62/41/74/1029624174.db2.gz STROJXVHBATGOM-UHFFFAOYSA-N 0 3 343.839 4.260 20 30 EIEDHN COc1ccccc1-c1csc([C@@H]2CCCN(CCCC#N)C2)n1 ZINC000447394887 1030062870 /nfs/dbraw/zinc/06/28/70/1030062870.db2.gz HHYGTGXCMZPDGF-OAHLLOKOSA-N 0 3 341.480 4.302 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000526942316 1030358784 /nfs/dbraw/zinc/35/87/84/1030358784.db2.gz JCSVHEBTFJEMMI-RDJZCZTQSA-N 0 3 328.456 4.063 20 30 EIEDHN N#Cc1ccc(C2(NCc3ccc(C(F)F)cc3)CCOCC2)cc1 ZINC000527812225 1030856370 /nfs/dbraw/zinc/85/63/70/1030856370.db2.gz ROHRVORVOSWRTG-UHFFFAOYSA-N 0 3 342.389 4.291 20 30 EIEDHN COc1c(C)cc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1C ZINC000647378647 1030895868 /nfs/dbraw/zinc/89/58/68/1030895868.db2.gz NVWVHRRXWUJULC-CQSZACIVSA-N 0 3 326.421 4.136 20 30 EIEDHN Cc1ccc(N(CCC#N)C(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000171027737 1031161518 /nfs/dbraw/zinc/16/15/18/1031161518.db2.gz BPCYPECPPNHQJW-UHFFFAOYSA-N 0 3 347.462 4.151 20 30 EIEDHN N#Cc1ccc(CNCCc2csc(-c3ccccc3)n2)c(F)c1 ZINC000532588267 1031316312 /nfs/dbraw/zinc/31/63/12/1031316312.db2.gz NNWHKUFJEBIFNW-UHFFFAOYSA-N 0 3 337.423 4.153 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000548923323 1031440832 /nfs/dbraw/zinc/44/08/32/1031440832.db2.gz ARIMIZJRALOOCE-MRXNPFEDSA-N 0 3 349.453 4.285 20 30 EIEDHN CCc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000531716067 1031501211 /nfs/dbraw/zinc/50/12/11/1031501211.db2.gz WWCAHIGRACOWCV-HOCLYGCPSA-N 0 3 341.430 4.172 20 30 EIEDHN CCc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000531716065 1031502154 /nfs/dbraw/zinc/50/21/54/1031502154.db2.gz WWCAHIGRACOWCV-GDBMZVCRSA-N 0 3 341.430 4.172 20 30 EIEDHN N#Cc1ccc(CN[C@H](C[C@@H]2CCCO2)c2ccc(F)cc2)cc1F ZINC000453359549 1031889524 /nfs/dbraw/zinc/88/95/24/1031889524.db2.gz ALZHAANGEMKLBY-AZUAARDMSA-N 0 3 342.389 4.236 20 30 EIEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCCC2)s1 ZINC000453611445 1032045783 /nfs/dbraw/zinc/04/57/83/1032045783.db2.gz INLZGHRZUMTLDN-GOSISDBHSA-N 0 3 326.465 4.003 20 30 EIEDHN C=CCOc1ccc(CNCc2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000512564443 1033372476 /nfs/dbraw/zinc/37/24/76/1033372476.db2.gz KEYNOXWDCMFMIX-UHFFFAOYSA-N 0 3 347.842 4.212 20 30 EIEDHN CC[C@H](CC#N)N[C@@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000236919279 1033406225 /nfs/dbraw/zinc/40/62/25/1033406225.db2.gz KHGGDBACRYMUJO-BBWFWOEESA-N 0 3 337.508 4.227 20 30 EIEDHN C[C@H](NCCCN(C)c1ccccc1F)c1ccc(C#N)cc1F ZINC000512620573 1033508622 /nfs/dbraw/zinc/50/86/22/1033508622.db2.gz RDEXZDNGUUMARF-AWEZNQCLSA-N 0 3 329.394 4.014 20 30 EIEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000614179097 1033588687 /nfs/dbraw/zinc/58/86/87/1033588687.db2.gz COGKEUHKVPUBAE-HNNXBMFYSA-N 0 3 347.462 4.223 20 30 EIEDHN C[C@@H](NC[C@@H]1SCCc2ccccc21)c1ccc(C#N)cc1F ZINC000512641294 1033591829 /nfs/dbraw/zinc/59/18/29/1033591829.db2.gz FVJPRLJSMOQGBM-YJYMSZOUSA-N 0 3 326.440 4.379 20 30 EIEDHN C[C@H](N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(C#N)cc1F ZINC000512649982 1033608997 /nfs/dbraw/zinc/60/89/97/1033608997.db2.gz WBSNCVHDXHLEGD-JHVJFLLYSA-N 0 3 338.426 4.486 20 30 EIEDHN CC(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614186056 1033639583 /nfs/dbraw/zinc/63/95/83/1033639583.db2.gz OSMDQKLFCHAUHD-SFHVURJKSA-N 0 3 342.483 4.041 20 30 EIEDHN C[C@@H](NCCCOc1cccc2cccnc21)c1ccc(C#N)cc1F ZINC000512674769 1033684236 /nfs/dbraw/zinc/68/42/36/1033684236.db2.gz YULOEBREGKSZQH-OAHLLOKOSA-N 0 3 349.409 4.365 20 30 EIEDHN C=CCC(C)(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000429848325 1033762549 /nfs/dbraw/zinc/76/25/49/1033762549.db2.gz RTHYVERLHDRQQT-INIZCTEOSA-N 0 3 334.529 4.240 20 30 EIEDHN C=CCC[C@H](NCc1ccnc(N)c1)c1ccc(C(F)(F)F)cc1 ZINC000411476583 1033922220 /nfs/dbraw/zinc/92/22/20/1033922220.db2.gz BYHAHZNNCNALPH-INIZCTEOSA-N 0 3 335.373 4.310 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(CSC)cc2)cc1OC ZINC000512971608 1034264176 /nfs/dbraw/zinc/26/41/76/1034264176.db2.gz JCZOHJBPKIAAGH-UHFFFAOYSA-N 0 3 343.492 4.413 20 30 EIEDHN COc1ccc([C@H]2CCCN2Cc2ccc(C#N)cc2C)c(OC)c1 ZINC000614396134 1034533126 /nfs/dbraw/zinc/53/31/26/1034533126.db2.gz YCPAQJFOLUFYOV-HXUWFJFHSA-N 0 3 336.435 4.221 20 30 EIEDHN CC[C@H](C)c1ccc([C@H](NCC(=O)N(CC)CCC#N)C(C)C)cc1 ZINC001167936820 1034749497 /nfs/dbraw/zinc/74/94/97/1034749497.db2.gz NENHFPFBTIECQU-LAUBAEHRSA-N 0 3 343.515 4.249 20 30 EIEDHN CN(Cc1ccc(OCC#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000729267118 1034768804 /nfs/dbraw/zinc/76/88/04/1034768804.db2.gz ZJLURPCLPWNDHG-UHFFFAOYSA-N 0 3 334.341 4.240 20 30 EIEDHN N#Cc1ccc(CCN2CCCC[C@@H]2c2nc3ccccc3o2)cc1 ZINC000595384718 1035670996 /nfs/dbraw/zinc/67/09/96/1035670996.db2.gz OXNMCJIGXNLGPO-LJQANCHMSA-N 0 3 331.419 4.469 20 30 EIEDHN N#Cc1cccc(C2(NCc3cccc(C(F)F)c3)CCOCC2)c1 ZINC000595769900 1035779284 /nfs/dbraw/zinc/77/92/84/1035779284.db2.gz VQTURYBEFJTWGG-UHFFFAOYSA-N 0 3 342.389 4.291 20 30 EIEDHN N#Cc1ccc(F)c(CN2CCC3(C=Cc4ccccc4O3)CC2)c1 ZINC000595880233 1035803004 /nfs/dbraw/zinc/80/30/04/1035803004.db2.gz ZZIXCGJVDHQLKC-UHFFFAOYSA-N 0 3 334.394 4.138 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@H](CC(C)C)c2ccccc2C)CC1 ZINC000491132029 1035816628 /nfs/dbraw/zinc/81/66/28/1035816628.db2.gz FHSHGDLFZVRMPM-HXUWFJFHSA-N 0 3 343.515 4.032 20 30 EIEDHN COc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)c(C)c1OC ZINC000586793887 1035849734 /nfs/dbraw/zinc/84/97/34/1035849734.db2.gz NOCHEKHLTLWVGJ-KUHUBIRLSA-N 0 3 336.435 4.222 20 30 EIEDHN COc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c(C)c1OC ZINC000586793888 1035850029 /nfs/dbraw/zinc/85/00/29/1035850029.db2.gz NOCHEKHLTLWVGJ-LIRRHRJNSA-N 0 3 336.435 4.222 20 30 EIEDHN N#Cc1ccc([C@H](O)CN2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000129563773 1035902639 /nfs/dbraw/zinc/90/26/39/1035902639.db2.gz FBZKXZMXWVXNNQ-HXUWFJFHSA-N 0 3 338.838 4.034 20 30 EIEDHN N#CC1(c2ccc(CN3CC[C@@H](Oc4cccc(F)c4)C3)cc2)CC1 ZINC000597079872 1036096215 /nfs/dbraw/zinc/09/62/15/1036096215.db2.gz IWOHDRBQHYBCCX-HXUWFJFHSA-N 0 3 336.410 4.034 20 30 EIEDHN C=CCN1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC000597982988 1036419020 /nfs/dbraw/zinc/41/90/20/1036419020.db2.gz UCFJOCXZDVTAAW-HXUWFJFHSA-N 0 3 341.499 4.361 20 30 EIEDHN CC[C@@H](C)Oc1cc(C)ccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602565896 1036500045 /nfs/dbraw/zinc/50/00/45/1036500045.db2.gz BDRRPXWWJGDKKD-QZTJIDSGSA-N 0 3 344.499 4.361 20 30 EIEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(OC(C)(C)C)c1 ZINC000602571724 1036500256 /nfs/dbraw/zinc/50/02/56/1036500256.db2.gz XAJGVTVTGKISGV-KRWDZBQOSA-N 0 3 344.499 4.361 20 30 EIEDHN C[C@@H](CCC#N)CN[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000602586321 1036513198 /nfs/dbraw/zinc/51/31/98/1036513198.db2.gz PUGIWCRTKUDNKE-OXJNMPFZSA-N 0 3 332.451 4.192 20 30 EIEDHN Cc1cc([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)oc1C ZINC000502706247 1036533120 /nfs/dbraw/zinc/53/31/20/1036533120.db2.gz FRPPTYFZIHTPMC-PBHICJAKSA-N 0 3 341.430 4.227 20 30 EIEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc2[nH]c(=O)oc2c1 ZINC000602991743 1036693565 /nfs/dbraw/zinc/69/35/65/1036693565.db2.gz ORUJEGUBNAICQY-CYBMUJFWSA-N 0 3 335.407 4.185 20 30 EIEDHN C[C@@]1(C2CCCCC2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000603029820 1036708117 /nfs/dbraw/zinc/70/81/17/1036708117.db2.gz PXOOOBSXEXXFIV-FQEVSTJZSA-N 0 3 336.439 4.153 20 30 EIEDHN CCCC(=O)Nc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589336551 1036738012 /nfs/dbraw/zinc/73/80/12/1036738012.db2.gz OZHWAXWXUVRQHS-FQEVSTJZSA-N 0 3 333.435 4.074 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000598700734 1036750057 /nfs/dbraw/zinc/75/00/57/1036750057.db2.gz PRJAMBBKROSSCG-WIYYLYMNSA-N 0 3 348.446 4.413 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000598700733 1036750132 /nfs/dbraw/zinc/75/01/32/1036750132.db2.gz PRJAMBBKROSSCG-RXVVDRJESA-N 0 3 348.446 4.413 20 30 EIEDHN N#Cc1ccc(CN[C@@H](C[C@H]2CCCO2)c2ccc(F)cc2)s1 ZINC000421874377 1036829590 /nfs/dbraw/zinc/82/95/90/1036829590.db2.gz IGONOSIKKORQOF-QAPCUYQASA-N 0 3 330.428 4.159 20 30 EIEDHN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc(C(F)(F)F)c1 ZINC000598973655 1036836909 /nfs/dbraw/zinc/83/69/09/1036836909.db2.gz DZOPOZWKECDXNN-GOSISDBHSA-N 0 3 346.352 4.363 20 30 EIEDHN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1OC1CC1 ZINC000598981684 1036838571 /nfs/dbraw/zinc/83/85/71/1036838571.db2.gz ATGSZNVWLQSSOC-FQEVSTJZSA-N 0 3 348.446 4.275 20 30 EIEDHN COc1ccc(CN[C@@H](c2ccc(F)c(F)c2)C(C)C)cc1C#N ZINC000761335492 1036946242 /nfs/dbraw/zinc/94/62/42/1036946242.db2.gz SUXVSUAQSFYNBU-LJQANCHMSA-N 0 3 330.378 4.332 20 30 EIEDHN Cc1nc2scc(C3CC3)n2c1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000590962112 1037215695 /nfs/dbraw/zinc/21/56/95/1037215695.db2.gz BTGBZTVZGFYJLA-KRWDZBQOSA-N 0 3 348.475 4.230 20 30 EIEDHN C[C@H](c1ccc(Cl)cc1)N1CCCN(c2ccccc2C#N)CC1 ZINC000604271886 1037324380 /nfs/dbraw/zinc/32/43/80/1037324380.db2.gz NPXZUNNDXKKVKF-MRXNPFEDSA-N 0 3 339.870 4.485 20 30 EIEDHN CCc1nc2c(s1)[C@H](N(C)Cc1ccc(C#N)c(C)c1)CCC2 ZINC000488138918 1037376327 /nfs/dbraw/zinc/37/63/27/1037376327.db2.gz YAHFBXRBKPRNQF-QGZVFWFLSA-N 0 3 325.481 4.395 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCCc2ccccc21 ZINC000171776377 1037649288 /nfs/dbraw/zinc/64/92/88/1037649288.db2.gz ITANNDDLRPIFNR-AEFFLSMTSA-N 0 3 343.430 4.260 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CCc3ccccc32)CC1 ZINC000503379318 1037727803 /nfs/dbraw/zinc/72/78/03/1037727803.db2.gz VJBFSFFMTPCYSL-KRWDZBQOSA-N 0 3 331.463 4.146 20 30 EIEDHN N#Cc1cnccc1CN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000592122387 1037737690 /nfs/dbraw/zinc/73/76/90/1037737690.db2.gz LGSBXBCTVGVNCT-ROUUACIJSA-N 0 3 345.368 4.398 20 30 EIEDHN C=CCN(CCCOc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000063300553 1038197107 /nfs/dbraw/zinc/19/71/07/1038197107.db2.gz OTEYVOVSHAQKMB-UHFFFAOYSA-N 0 3 336.435 4.024 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1SC1CCCC1 ZINC000594429810 1038330235 /nfs/dbraw/zinc/33/02/35/1038330235.db2.gz WIJGSEMNLMCRSZ-HNNXBMFYSA-N 0 3 331.485 4.071 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000594432844 1038332939 /nfs/dbraw/zinc/33/29/39/1038332939.db2.gz GXDNRWUJOZAHEJ-SFHVURJKSA-N 0 3 345.512 4.212 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000594443398 1038336905 /nfs/dbraw/zinc/33/69/05/1038336905.db2.gz GVKAOWXNRKZWAT-QZTJIDSGSA-N 0 3 347.890 4.195 20 30 EIEDHN CN(C)C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 ZINC000594506759 1038351440 /nfs/dbraw/zinc/35/14/40/1038351440.db2.gz XUCKYOSYJKXIRF-HXUWFJFHSA-N 0 3 339.458 4.019 20 30 EIEDHN COC(=O)c1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000594504566 1038352162 /nfs/dbraw/zinc/35/21/62/1038352162.db2.gz PISAJPMWOXXSBT-XOBRGWDASA-N 0 3 334.419 4.073 20 30 EIEDHN N#CC1(c2ccc(CNCc3ccc(OC(F)F)cc3)cc2)CC1 ZINC000594926812 1038430578 /nfs/dbraw/zinc/43/05/78/1038430578.db2.gz ZSZOTJHAHHDIIS-UHFFFAOYSA-N 0 3 328.362 4.133 20 30 EIEDHN CCCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1OC ZINC000594963068 1038558818 /nfs/dbraw/zinc/55/88/18/1038558818.db2.gz ATOVBUHGGQKMEI-UHFFFAOYSA-N 0 3 338.451 4.381 20 30 EIEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000424117680 1038596194 /nfs/dbraw/zinc/59/61/94/1038596194.db2.gz CWLCAYQYXXFDFI-SFHVURJKSA-N 0 3 345.512 4.212 20 30 EIEDHN N#CC(C(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1nc2ccccc2[nH]1 ZINC000173902941 1038782984 /nfs/dbraw/zinc/78/29/84/1038782984.db2.gz BGPFGDUEWJLCED-ZDPZECHZSA-N 0 3 341.414 4.033 20 30 EIEDHN CC[C@@](C)(NCCCOc1ccc(C#N)cc1)c1nc(C)cs1 ZINC000173943662 1038796659 /nfs/dbraw/zinc/79/66/59/1038796659.db2.gz BOQBKOSNSOZYJT-GOSISDBHSA-N 0 3 329.469 4.007 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cccc(F)c2)ccc1OC ZINC000174091531 1038841443 /nfs/dbraw/zinc/84/14/43/1038841443.db2.gz FCFLFALAPBYAAU-KSSFIOAISA-N 0 3 342.414 4.366 20 30 EIEDHN CCN(CC)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1F ZINC000174430275 1038955854 /nfs/dbraw/zinc/95/58/54/1038955854.db2.gz GMYPMNSFYIJFHC-OAHLLOKOSA-N 0 3 325.431 4.394 20 30 EIEDHN C=CCC[C@@H](NCC(=O)N[C@@H](C)CC)c1ccc(C(F)(F)F)cc1 ZINC000539331350 1038978509 /nfs/dbraw/zinc/97/85/09/1038978509.db2.gz JBVUWTXEWPNPIW-XJKSGUPXSA-N 0 3 342.405 4.217 20 30 EIEDHN Cc1ccccc1[C@@H](NCC(=O)NC1(C#N)CCCCC1)C(C)(C)C ZINC000539360141 1038994947 /nfs/dbraw/zinc/99/49/47/1038994947.db2.gz OETIWNIXHFDOOE-LJQANCHMSA-N 0 3 341.499 4.015 20 30 EIEDHN C=CCC[C@@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccco1 ZINC000552048592 1039070479 /nfs/dbraw/zinc/07/04/79/1039070479.db2.gz XNSKFFHUNSXCJP-SJORKVTESA-N 0 3 334.410 4.458 20 30 EIEDHN N=C(NC1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cn1 ZINC001168336963 1039129236 /nfs/dbraw/zinc/12/92/36/1039129236.db2.gz JATSIDULZWXSMK-UHFFFAOYSA-N 0 3 331.822 4.306 20 30 EIEDHN Cc1c(CNCc2ccc(O[C@@H](C)C#N)cc2)oc2ccc(F)cc12 ZINC000237498248 1039202896 /nfs/dbraw/zinc/20/28/96/1039202896.db2.gz CMTXXOGVINMXCO-ZDUSSCGKSA-N 0 3 338.382 4.461 20 30 EIEDHN C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H](CCC#N)c1ccccc1 ZINC000090665564 1039274344 /nfs/dbraw/zinc/27/43/44/1039274344.db2.gz YTIYFCAVHLNUES-DNVCBOLYSA-N 0 3 339.414 4.177 20 30 EIEDHN N#Cc1cccc(OC2CCN(Cc3ccc4[nH]ccc4c3)CC2)c1 ZINC000600111419 1039285742 /nfs/dbraw/zinc/28/57/42/1039285742.db2.gz CKYUGHQGHUFNIU-UHFFFAOYSA-N 0 3 331.419 4.083 20 30 EIEDHN C=C[C@H](Cc1nc(-c2ccc(CN(C)C)cc2)no1)c1ccccc1 ZINC000534692668 1039719822 /nfs/dbraw/zinc/71/98/22/1039719822.db2.gz RGUCWHDWXUQVBN-QGZVFWFLSA-N 0 3 333.435 4.311 20 30 EIEDHN C=C(C)COc1cc(CN2CC[C@@H](CC(F)(F)F)C2)ccc1OC ZINC000556045226 1039885635 /nfs/dbraw/zinc/88/56/35/1039885635.db2.gz JENXYJPIMGCNFF-HNNXBMFYSA-N 0 3 343.389 4.424 20 30 EIEDHN C=CCOc1ccc(CN(Cc2cnc3n2CCC3)C(C)(C)C)cc1 ZINC000667485435 1040344440 /nfs/dbraw/zinc/34/44/40/1040344440.db2.gz SAONQGSZTASPQI-UHFFFAOYSA-N 0 3 339.483 4.195 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000160145992 1040372740 /nfs/dbraw/zinc/37/27/40/1040372740.db2.gz XCSVZVXECMYDIY-JTQLQIEISA-N 0 3 337.807 4.305 20 30 EIEDHN C=CCCCCCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508851402 1040449905 /nfs/dbraw/zinc/44/99/05/1040449905.db2.gz GZVXFDKGZOEZDJ-MJGOQNOKSA-N 0 3 331.504 4.066 20 30 EIEDHN CC(C)(C#N)CCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000539589284 1040594239 /nfs/dbraw/zinc/59/42/39/1040594239.db2.gz WKWVKIDKDOGIHG-ZDUSSCGKSA-N 0 3 327.255 4.386 20 30 EIEDHN CC1(C)CN(CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000553993294 1040687677 /nfs/dbraw/zinc/68/76/77/1040687677.db2.gz UBJWKFIIKDIYGC-SFHVURJKSA-N 0 3 339.464 4.031 20 30 EIEDHN N#CC(C(=O)c1ccc2sccc2c1)c1cnc2ccccc2n1 ZINC000483215449 1040773075 /nfs/dbraw/zinc/77/30/75/1040773075.db2.gz QKQGVWHURWWORC-AWEZNQCLSA-N 0 3 329.384 4.335 20 30 EIEDHN C=CCOc1c(Br)cc(CNCC=C(C)C)cc1OC ZINC000480280117 1041173560 /nfs/dbraw/zinc/17/35/60/1041173560.db2.gz BZXBAJPSHQPWKP-UHFFFAOYSA-N 0 3 340.261 4.078 20 30 EIEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000538239548 1041193074 /nfs/dbraw/zinc/19/30/74/1041193074.db2.gz YVHQRLLQUPAPCO-MRXNPFEDSA-N 0 3 335.838 4.228 20 30 EIEDHN Clc1ccccc1C#CCN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000538233602 1041204593 /nfs/dbraw/zinc/20/45/93/1041204593.db2.gz UVVPODYILXAUPK-UTKZUKDTSA-N 0 3 339.866 4.449 20 30 EIEDHN CC1(C)CN(CCCOc2cccc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000484353541 1041223014 /nfs/dbraw/zinc/22/30/14/1041223014.db2.gz SXJFMCQUQNKDEY-MRXNPFEDSA-N 0 3 340.389 4.238 20 30 EIEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccsc3Cl)C2)c(F)c1 ZINC000480343068 1041233726 /nfs/dbraw/zinc/23/37/26/1041233726.db2.gz KMOTUJHELNBJMQ-CQSZACIVSA-N 0 3 349.862 4.171 20 30 EIEDHN COCCSc1ccc([C@@H](C)NCC#Cc2ccc(F)cc2)cc1 ZINC000540406362 1041435626 /nfs/dbraw/zinc/43/56/26/1041435626.db2.gz SBINVNAWANLMLT-MRXNPFEDSA-N 0 3 343.467 4.267 20 30 EIEDHN C=CCN1CCC(NC(=O)C(CC)(CC)c2ccc(Cl)cc2)CC1 ZINC000517310781 1041951937 /nfs/dbraw/zinc/95/19/37/1041951937.db2.gz XUYQFMLYRROFDL-UHFFFAOYSA-N 0 3 348.918 4.164 20 30 EIEDHN N#CCC1CCN(Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000541920711 1042173587 /nfs/dbraw/zinc/17/35/87/1042173587.db2.gz LYISTTXHVXPURD-UHFFFAOYSA-N 0 3 348.494 4.351 20 30 EIEDHN N#Cc1ccc(CN(C/C=C\c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000506552266 1042591589 /nfs/dbraw/zinc/59/15/89/1042591589.db2.gz DWBZOFREFGFETH-HYXAFXHYSA-N 0 3 333.391 4.144 20 30 EIEDHN C=CCN1CCC(NC(=O)CC2CCC(c3ccccc3)CC2)CC1 ZINC000170982720 1042904368 /nfs/dbraw/zinc/90/43/68/1042904368.db2.gz RHIARXVPWXEMIF-UHFFFAOYSA-N 0 3 340.511 4.117 20 30 EIEDHN CC(C)CC[C@H]1CCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000493571984 1042931924 /nfs/dbraw/zinc/93/19/24/1042931924.db2.gz IZUGQMCNMJWUCX-AEFFLSMTSA-N 0 3 338.455 4.303 20 30 EIEDHN C#CC[C@@H]1CCCN(Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000895100955 1042988649 /nfs/dbraw/zinc/98/86/49/1042988649.db2.gz GEVSUVUFTCEKBE-CQSZACIVSA-N 0 3 334.485 4.330 20 30 EIEDHN C=CCSc1ccccc1NC(=O)CN(C1CCC1)C1CCC1 ZINC000429135251 1043062208 /nfs/dbraw/zinc/06/22/08/1043062208.db2.gz MTTUJKMIBFGJAC-UHFFFAOYSA-N 0 3 330.497 4.310 20 30 EIEDHN COc1ccc(Oc2cc(CN[C@H]3CCC[C@H](C#N)C3)ccn2)cc1 ZINC000185784950 1043219545 /nfs/dbraw/zinc/21/95/45/1043219545.db2.gz ZBMFMXZCYZRAMK-RDJZCZTQSA-N 0 3 337.423 4.054 20 30 EIEDHN C=CCN1CC[C@H](N[C@H](CCC)c2ccc(Cl)c(Cl)c2)C1=O ZINC000499602074 1043397537 /nfs/dbraw/zinc/39/75/37/1043397537.db2.gz JCKVZTCVJXEWJO-CVEARBPZSA-N 0 3 341.282 4.211 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 ZINC000730125645 1043447351 /nfs/dbraw/zinc/44/73/51/1043447351.db2.gz YVAYJFGKEBNZFJ-UHFFFAOYSA-N 0 3 349.434 4.358 20 30 EIEDHN N#Cc1c(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn2ccccc12 ZINC000731846112 1043834877 /nfs/dbraw/zinc/83/48/77/1043834877.db2.gz SGFWDZKMIDRZKU-UHFFFAOYSA-N 0 3 345.446 4.461 20 30 EIEDHN N#Cc1c(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cn2ccccc12 ZINC000731846112 1043834879 /nfs/dbraw/zinc/83/48/79/1043834879.db2.gz SGFWDZKMIDRZKU-UHFFFAOYSA-N 0 3 345.446 4.461 20 30 EIEDHN CCCCc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000682995414 1043886507 /nfs/dbraw/zinc/88/65/07/1043886507.db2.gz VFBBWDCRRFSLHE-QGZVFWFLSA-N 0 3 329.403 4.462 20 30 EIEDHN C[C@H](CSc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000732496474 1043928893 /nfs/dbraw/zinc/92/88/93/1043928893.db2.gz WOEQTLQXIXIVJV-UKRRQHHQSA-N 0 3 336.416 4.432 20 30 EIEDHN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000011047464 1043943848 /nfs/dbraw/zinc/94/38/48/1043943848.db2.gz WGHHVHPFHUUAOK-CXAGYDPISA-N 0 3 341.842 4.280 20 30 EIEDHN CC(C)(C#N)c1ccccc1CN1CC2(CCCC2)OC(C)(C)C1 ZINC000443309206 1044174842 /nfs/dbraw/zinc/17/48/42/1044174842.db2.gz GJJSCPTWUVOWCT-UHFFFAOYSA-N 0 3 326.484 4.411 20 30 EIEDHN C#CCOc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000733327388 1044192842 /nfs/dbraw/zinc/19/28/42/1044192842.db2.gz UZUNKOYIXSJURF-UHFFFAOYSA-N 0 3 345.364 4.496 20 30 EIEDHN C[C@@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC000174311721 1044257568 /nfs/dbraw/zinc/25/75/68/1044257568.db2.gz VDIAPPIWLDGSAB-OAHLLOKOSA-N 0 3 336.435 4.364 20 30 EIEDHN C=CCOCCCN1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000348024907 1044358268 /nfs/dbraw/zinc/35/82/68/1044358268.db2.gz BBQKMLGSELABMC-UHFFFAOYSA-N 0 3 334.510 4.131 20 30 EIEDHN C[C@H](C/N=C\c1c(O)ccc2ccccc21)N1CCc2ccccc2C1 ZINC000914558317 1044480565 /nfs/dbraw/zinc/48/05/65/1044480565.db2.gz SSLYWGFGDWWMQD-WMWHPZEKSA-N 0 3 344.458 4.411 20 30 EIEDHN C=CC[C@H](CO)CN[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000495043131 1044612412 /nfs/dbraw/zinc/61/24/12/1044612412.db2.gz DFXGDEXOHBUBET-LIRRHRJNSA-N 0 3 333.834 4.343 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N/Cc1cccc(C[NH+]2CCCC2)c1 ZINC000914702184 1044679863 /nfs/dbraw/zinc/67/98/63/1044679863.db2.gz YUQZYRHJZJDVMH-FYJGNVAPSA-N 0 3 328.843 4.261 20 30 EIEDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cc(Cl)ccc1OCC#N ZINC000735310274 1044801213 /nfs/dbraw/zinc/80/12/13/1044801213.db2.gz WUIPFSHUKOMFNQ-UHFFFAOYSA-N 0 3 344.842 4.360 20 30 EIEDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cc(Cl)ccc1OCC#N ZINC000735310274 1044801216 /nfs/dbraw/zinc/80/12/16/1044801216.db2.gz WUIPFSHUKOMFNQ-UHFFFAOYSA-N 0 3 344.842 4.360 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)NC(C2CCCC2)C2CCCC2)CC1 ZINC000735513979 1044830784 /nfs/dbraw/zinc/83/07/84/1044830784.db2.gz UHPXBYWKPOETJP-UHFFFAOYSA-N 0 3 347.547 4.075 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/CCOC2CCCCCC2)c([O-])c1 ZINC000735618919 1044843206 /nfs/dbraw/zinc/84/32/06/1044843206.db2.gz HHDSXCVBIBMIPB-LTGZKZEYSA-N 0 3 332.488 4.397 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cc4ccccc4o3)nc21 ZINC000735791157 1044866566 /nfs/dbraw/zinc/86/65/66/1044866566.db2.gz VDPVTUWGFKQHAM-OAHLLOKOSA-N 0 3 329.359 4.037 20 30 EIEDHN Cc1cccc2nc(C(C#N)C(=O)Cc3cc4ccccc4o3)[nH]c21 ZINC000735791157 1044866567 /nfs/dbraw/zinc/86/65/67/1044866567.db2.gz VDPVTUWGFKQHAM-OAHLLOKOSA-N 0 3 329.359 4.037 20 30 EIEDHN CC(C)C[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000542555430 1044965182 /nfs/dbraw/zinc/96/51/82/1044965182.db2.gz RWWOUTDGYIPZEH-YOEHRIQHSA-N 0 3 341.480 4.324 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2CC2CCCCC2)CC1 ZINC000303381403 1044994118 /nfs/dbraw/zinc/99/41/18/1044994118.db2.gz XNOCWWOPIFIRIY-FQEVSTJZSA-N 0 3 347.547 4.171 20 30 EIEDHN CCCCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](CC)c1ccccc1 ZINC000303671058 1045051875 /nfs/dbraw/zinc/05/18/75/1045051875.db2.gz YRHSZCDYVXACJH-FPOVZHCZSA-N 0 3 341.499 4.048 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\C1CC[NH+](CCc2ccccc2)CC1 ZINC000915113185 1045111749 /nfs/dbraw/zinc/11/17/49/1045111749.db2.gz QFNIYAPECKZYFA-JCMHNJIXSA-N 0 3 342.870 4.172 20 30 EIEDHN CC(C)C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000542557622 1045124579 /nfs/dbraw/zinc/12/45/79/1045124579.db2.gz RSHXNNPCPCPCLX-JKSUJKDBSA-N 0 3 347.528 4.156 20 30 EIEDHN C=CCOc1cccc(CN[C@@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000509428428 1045157222 /nfs/dbraw/zinc/15/72/22/1045157222.db2.gz DCQHIHDONOUFTN-LJQANCHMSA-N 0 3 327.399 4.176 20 30 EIEDHN C=CCSc1nc2ccccc2n1CN(C)CCCOC(C)C ZINC000740858151 1045229939 /nfs/dbraw/zinc/22/99/39/1045229939.db2.gz VZAMWGCXAWEBMH-UHFFFAOYSA-N 0 3 333.501 4.019 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000611391990 1045297550 /nfs/dbraw/zinc/29/75/50/1045297550.db2.gz DNXWWMAHXDVDKI-BDTNDASRSA-N 0 3 332.447 4.446 20 30 EIEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1Cl ZINC000611465922 1045312381 /nfs/dbraw/zinc/31/23/81/1045312381.db2.gz MRWCGGCTVMQXBL-KPZWWZAWSA-N 0 3 332.806 4.389 20 30 EIEDHN CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(OC)c(OC)c1 ZINC000272342575 1045423226 /nfs/dbraw/zinc/42/32/26/1045423226.db2.gz ZTGVOQYQQCZEJI-GOSISDBHSA-N 0 3 336.435 4.305 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2ccc(Oc3cccnc3)cc2)n1 ZINC000068335908 1045749918 /nfs/dbraw/zinc/74/99/18/1045749918.db2.gz CVPWUEHFDXCNIT-INIZCTEOSA-N 0 3 335.388 4.129 20 30 EIEDHN C#CCCOc1ccc(CN2CCC(OCc3ccccc3)CC2)cc1 ZINC000768214402 1045753270 /nfs/dbraw/zinc/75/32/70/1045753270.db2.gz JFZMXTGWSIYEFH-UHFFFAOYSA-N 0 3 349.474 4.270 20 30 EIEDHN Cn1cccc1C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000072591346 1045791102 /nfs/dbraw/zinc/79/11/02/1045791102.db2.gz KPZGDIDSPGJIPD-CYBMUJFWSA-N 0 3 341.823 4.292 20 30 EIEDHN N#CC(C(=O)CCc1cc(F)ccc1F)c1nccc2ccccc21 ZINC000792095519 1045862773 /nfs/dbraw/zinc/86/27/73/1045862773.db2.gz LJOSWLWJFGZKGD-QGZVFWFLSA-N 0 3 336.341 4.322 20 30 EIEDHN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1nccc2ccccc21 ZINC000792094150 1045863283 /nfs/dbraw/zinc/86/32/83/1045863283.db2.gz DCPZVJOWHMBJMQ-JFDDCEBESA-N 0 3 333.778 4.173 20 30 EIEDHN COc1ccc(C(C)=NNc2ccc(F)cc2)cc1CN1CCCC1 ZINC000916268062 1045973780 /nfs/dbraw/zinc/97/37/80/1045973780.db2.gz HKRDUDNEUMYCCO-UHFFFAOYSA-N 0 3 341.430 4.266 20 30 EIEDHN N#Cc1ccc(CNC2(c3ccc(Br)cc3)CCC2)cc1 ZINC000067712363 1046005754 /nfs/dbraw/zinc/00/57/54/1046005754.db2.gz BHSONZWMXIPARA-UHFFFAOYSA-N 0 3 341.252 4.490 20 30 EIEDHN N#CC1(c2ccccc2)CCC(N2CCC(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC001170379225 1046034575 /nfs/dbraw/zinc/03/45/75/1046034575.db2.gz UOYLZAHUYNHMJX-KBNVZVJVSA-N 0 3 336.479 4.224 20 30 EIEDHN COCC1(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)CCC1 ZINC000793124499 1046141029 /nfs/dbraw/zinc/14/10/29/1046141029.db2.gz LBVHYTSUWIRGPI-HNNXBMFYSA-N 0 3 340.448 4.112 20 30 EIEDHN N#Cc1ccc(C2=CCN(Cc3cncc4ccccc43)CC2)cc1 ZINC000770378277 1046186583 /nfs/dbraw/zinc/18/65/83/1046186583.db2.gz AYWZMESRAVXENT-UHFFFAOYSA-N 0 3 325.415 4.396 20 30 EIEDHN Cc1nccn1-c1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000192161192 1046205595 /nfs/dbraw/zinc/20/55/95/1046205595.db2.gz UZOIYLHJENNZJZ-AWEZNQCLSA-N 0 3 334.398 4.042 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 ZINC000916913179 1046455806 /nfs/dbraw/zinc/45/58/06/1046455806.db2.gz NMTKWKIUZOONNY-FGTMMUONSA-N 0 3 338.451 4.135 20 30 EIEDHN C=CCN(Cc1cccs1)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000916988148 1046524607 /nfs/dbraw/zinc/52/46/07/1046524607.db2.gz AZMCKSKYYPLFJN-MRXNPFEDSA-N 0 3 341.398 4.489 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(OC(F)F)cc2)n1 ZINC000080453490 1046618742 /nfs/dbraw/zinc/61/87/42/1046618742.db2.gz HPZNSORHUVWXOR-LBPRGKRZSA-N 0 3 336.363 4.358 20 30 EIEDHN CC(C)CCCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786534272 1046845842 /nfs/dbraw/zinc/84/58/42/1046845842.db2.gz JRUWCVOOKNEIDH-QGZVFWFLSA-N 0 3 348.874 4.272 20 30 EIEDHN CC[C@@H](C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547624 1046850864 /nfs/dbraw/zinc/85/08/64/1046850864.db2.gz UUJSDAWZZSFYGV-PBHICJAKSA-N 0 3 348.874 4.272 20 30 EIEDHN Cc1ccc([C@H](C)NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000537027871 1046904043 /nfs/dbraw/zinc/90/40/43/1046904043.db2.gz SMGAOPPLFSUGPR-IBGZPJMESA-N 0 3 349.478 4.209 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(-n2cccn2)cc1 ZINC000537406914 1047200062 /nfs/dbraw/zinc/20/00/62/1047200062.db2.gz KTSPUIJNZBTUFA-CABCVRRESA-N 0 3 334.398 4.295 20 30 EIEDHN C[C@@H](CCc1ccc(C(F)(F)F)cc1)NCc1nc(C#N)cs1 ZINC000897628772 1047404291 /nfs/dbraw/zinc/40/42/91/1047404291.db2.gz CBZRTPGJIAGABR-NSHDSACASA-N 0 3 339.386 4.144 20 30 EIEDHN N#Cc1cccc(CN(Cc2ccccc2)C[C@H](O)c2ccsc2)c1 ZINC000154753413 1047505915 /nfs/dbraw/zinc/50/59/15/1047505915.db2.gz ZYNRHPUXLZOWRW-NRFANRHFSA-N 0 3 348.471 4.356 20 30 EIEDHN N#Cc1cccc(C2(NCCOc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000556512196 1047804036 /nfs/dbraw/zinc/80/40/36/1047804036.db2.gz LKXQCQZNLAATHB-UHFFFAOYSA-N 0 3 346.352 4.235 20 30 EIEDHN N#CC(C(=O)c1ccc2c(c1)CCC=C2)c1cnc2ccccc2n1 ZINC000556560762 1047821820 /nfs/dbraw/zinc/82/18/20/1047821820.db2.gz KCTUBWLYDKKTBK-QGZVFWFLSA-N 0 3 325.371 4.079 20 30 EIEDHN C=CCOc1cccc(CN2CCC(F)(c3cccnc3)CC2)c1 ZINC000556615052 1047839237 /nfs/dbraw/zinc/83/92/37/1047839237.db2.gz UTBVAMXMSKEMIH-UHFFFAOYSA-N 0 3 326.415 4.107 20 30 EIEDHN C#Cc1ccc(CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000814170484 1047873079 /nfs/dbraw/zinc/87/30/79/1047873079.db2.gz WXBQNHMMKLLVFY-PKTZIBPZSA-N 0 3 327.427 4.232 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000814249749 1047917191 /nfs/dbraw/zinc/91/71/91/1047917191.db2.gz NCTHMCDOAWOTNB-CVEARBPZSA-N 0 3 349.434 4.317 20 30 EIEDHN CC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N)nc1 ZINC000814685444 1048120754 /nfs/dbraw/zinc/12/07/54/1048120754.db2.gz MDVACWCBNVEYPY-UHFFFAOYSA-N 0 3 329.618 4.460 20 30 EIEDHN C[C@@H]1C(N=Nc2nncc3ccccc32)CCCN1Cc1ccccc1 ZINC000814705787 1048131653 /nfs/dbraw/zinc/13/16/53/1048131653.db2.gz NEICVPKOXMUFGD-MRXNPFEDSA-N 0 3 345.450 4.082 20 30 EIEDHN C=CCN(CCc1ccccc1)Cc1ccnc(Br)c1 ZINC000815028098 1048308684 /nfs/dbraw/zinc/30/86/84/1048308684.db2.gz QJFKPFODGKBUSW-UHFFFAOYSA-N 0 3 331.257 4.075 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(C(C)(F)F)cc2)cc1 ZINC000815142162 1048364258 /nfs/dbraw/zinc/36/42/58/1048364258.db2.gz OJJHLJFJSAKYBC-AWEZNQCLSA-N 0 3 330.378 4.379 20 30 EIEDHN C#Cc1ccc(CNc2cc(CN3CCSCC3)ccc2C)cc1 ZINC000809600638 1048437251 /nfs/dbraw/zinc/43/72/51/1048437251.db2.gz WKIRXHXGWYPAJL-UHFFFAOYSA-N 0 3 336.504 4.137 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001170593679 1048593928 /nfs/dbraw/zinc/59/39/28/1048593928.db2.gz NJHFHPLNJIYXIA-KUHUBIRLSA-N 0 3 326.827 4.426 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001170593677 1048595030 /nfs/dbraw/zinc/59/50/30/1048595030.db2.gz NJHFHPLNJIYXIA-AUUYWEPGSA-N 0 3 326.827 4.426 20 30 EIEDHN COc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])ccc1C#N ZINC000810169323 1048654016 /nfs/dbraw/zinc/65/40/16/1048654016.db2.gz VZIOBKZAKOADAV-UHFFFAOYSA-N 0 3 344.414 4.229 20 30 EIEDHN Cc1cc(C)c2c(c1)C(N=Nc1nc3cc(F)c(F)cc3[nH]1)CCO2 ZINC000920375999 1048657942 /nfs/dbraw/zinc/65/79/42/1048657942.db2.gz TWTPYFYSQQLJMC-UHFFFAOYSA-N 0 3 342.349 4.057 20 30 EIEDHN C=CCc1cc(CN[C@H]2CCc3ccc(C#N)cc32)cc(OC)c1OC ZINC000810224596 1048693003 /nfs/dbraw/zinc/69/30/03/1048693003.db2.gz KKUDFWVXLOBZTI-FQEVSTJZSA-N 0 3 348.446 4.081 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000810225705 1048694422 /nfs/dbraw/zinc/69/44/22/1048694422.db2.gz KKOWDROQCCUNQI-WIYYLYMNSA-N 0 3 331.419 4.016 20 30 EIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC001135483776 1048747592 /nfs/dbraw/zinc/74/75/92/1048747592.db2.gz LVGYTEBJEVBDOV-MJBXVCDLSA-N 0 3 340.920 4.177 20 30 EIEDHN N#Cc1ccc(O[C@@H]2CCCN(Cc3ccc4scnc4c3)C2)cc1 ZINC001144744109 1048848588 /nfs/dbraw/zinc/84/85/88/1048848588.db2.gz KKXUQNFXNXJVKG-GOSISDBHSA-N 0 3 349.459 4.211 20 30 EIEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCCC1 ZINC001132594692 1048943069 /nfs/dbraw/zinc/94/30/69/1048943069.db2.gz XUDVROGKYIVZHY-HXUWFJFHSA-N 0 3 340.511 4.294 20 30 EIEDHN N#Cc1ccc(C2(NC[C@@H](O)c3cc4ccccc4o3)CCC2)cc1 ZINC000847059875 1048989249 /nfs/dbraw/zinc/98/92/49/1048989249.db2.gz PXUAOZCTNLNUOE-GOSISDBHSA-N 0 3 332.403 4.007 20 30 EIEDHN CC(C)c1ccc(C(C)(C)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000609358312 1049032984 /nfs/dbraw/zinc/03/29/84/1049032984.db2.gz YZLMIEDPHYGEOK-UHFFFAOYSA-N 0 3 335.451 4.145 20 30 EIEDHN CCN(Cc1cc(C#N)ccc1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC000609432243 1049061560 /nfs/dbraw/zinc/06/15/60/1049061560.db2.gz WYKBVWPQVCPKTF-HNNXBMFYSA-N 0 3 326.415 4.159 20 30 EIEDHN Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000818109977 1049088079 /nfs/dbraw/zinc/08/80/79/1049088079.db2.gz RHCUGCHGHVTQRR-KRWDZBQOSA-N 0 3 341.842 4.275 20 30 EIEDHN C=CCC1(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCCC1 ZINC001147443479 1049158618 /nfs/dbraw/zinc/15/86/18/1049158618.db2.gz QDZWKXMYSOMXPI-SFHVURJKSA-N 0 3 344.474 4.043 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc3c(c2)COC3)c1 ZINC000772984818 1049266257 /nfs/dbraw/zinc/26/62/57/1049266257.db2.gz QHCHOXGWVHPKQP-QRWLVFNGSA-N 0 3 336.435 4.249 20 30 EIEDHN COc1ccc(Cl)c2c1C[C@H](N(CCC#N)C1CCCC1)CC2 ZINC001171322033 1049272903 /nfs/dbraw/zinc/27/29/03/1049272903.db2.gz RBPNUZXFNFEGCW-OAHLLOKOSA-N 0 3 332.875 4.364 20 30 EIEDHN N#CCC[C@H](NC[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000819184210 1049276374 /nfs/dbraw/zinc/27/63/74/1049276374.db2.gz WVHQRPYMZHFRPL-ROUUACIJSA-N 0 3 348.368 4.373 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(OC)c(OC(F)F)c2)cc1 ZINC000078879865 1049298238 /nfs/dbraw/zinc/29/82/38/1049298238.db2.gz CUXIGFJMQBFSHK-UHFFFAOYSA-N 0 3 349.377 4.151 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000237578185 1049632520 /nfs/dbraw/zinc/63/25/20/1049632520.db2.gz GPIRCLZRPXTAKL-CYBMUJFWSA-N 0 3 334.341 4.286 20 30 EIEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CCC2)C[C@H]1C(C)(C)C ZINC001171584586 1049750779 /nfs/dbraw/zinc/75/07/79/1049750779.db2.gz IRJZXBLJYQLVHT-HOTGVXAUSA-N 0 3 349.519 4.084 20 30 EIEDHN C#CCCOc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000237848584 1049790771 /nfs/dbraw/zinc/79/07/71/1049790771.db2.gz JPODQRVAIHHHPP-UHFFFAOYSA-N 0 3 333.353 4.397 20 30 EIEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(-c2ccc(C)c(OC)c2)no1 ZINC001171920641 1049820537 /nfs/dbraw/zinc/82/05/37/1049820537.db2.gz KKHFVTLCMYICHE-DOTOQJQBSA-N 0 3 341.455 4.278 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1c(F)cccc1Br ZINC001172305697 1049874205 /nfs/dbraw/zinc/87/42/05/1049874205.db2.gz UGQUINILJGTVRR-LBPRGKRZSA-N 0 3 347.231 4.181 20 30 EIEDHN CCCCCCC[C@@H](CC)NC1(C(=O)OCC)CCN(CC)CC1 ZINC001172350522 1049892465 /nfs/dbraw/zinc/89/24/65/1049892465.db2.gz OCDSODROYOBCNV-GOSISDBHSA-N 0 3 340.552 4.133 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCCCC#N)cc1 ZINC000805854995 1049898456 /nfs/dbraw/zinc/89/84/56/1049898456.db2.gz BGLGGXOJGGLBTH-QAPCUYQASA-N 0 3 339.439 4.322 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCCCC#N)cc1 ZINC000805854996 1049898608 /nfs/dbraw/zinc/89/86/08/1049898608.db2.gz BGLGGXOJGGLBTH-YJBOKZPZSA-N 0 3 339.439 4.322 20 30 EIEDHN C[C@H](CSc1ccc(Cl)cc1)N1CCC2SC(=O)C=C2C1 ZINC001172875733 1050217314 /nfs/dbraw/zinc/21/73/14/1050217314.db2.gz AYOQQYOQDGPWQO-ABAIWWIYSA-N 0 3 339.913 4.095 20 30 EIEDHN C[C@H](CSc1ccc(Cl)cc1)N1CC[C@@H]2SC(=O)C=C2C1 ZINC001172875733 1050217327 /nfs/dbraw/zinc/21/73/27/1050217327.db2.gz AYOQQYOQDGPWQO-ABAIWWIYSA-N 0 3 339.913 4.095 20 30 EIEDHN C=CC[C@H](NCc1cc(C)c(C2OCCO2)cc1C)c1ccncc1 ZINC001177884692 1050319300 /nfs/dbraw/zinc/31/93/00/1050319300.db2.gz HLDKZFJMXNSNJZ-FQEVSTJZSA-N 0 3 338.451 4.151 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000181956349 1050397245 /nfs/dbraw/zinc/39/72/45/1050397245.db2.gz QAXNVTUPWVHIKO-DNVCBOLYSA-N 0 3 349.434 4.099 20 30 EIEDHN COc1cc(CNCc2c(C)cc(C#N)cc2C)ccc1OC(F)F ZINC000921498801 1050406099 /nfs/dbraw/zinc/40/60/99/1050406099.db2.gz MPTALHCMMPGJNJ-UHFFFAOYSA-N 0 3 346.377 4.075 20 30 EIEDHN N#CCC1CCC(NCc2ncc(Cl)cc2Br)CC1 ZINC001173330268 1050420569 /nfs/dbraw/zinc/42/05/69/1050420569.db2.gz MUKGPIBZJWORKO-UHFFFAOYSA-N 0 3 342.668 4.060 20 30 EIEDHN C=CCOC1CCC(N(C)Cc2ccccc2Br)CC1 ZINC001173320291 1050441773 /nfs/dbraw/zinc/44/17/73/1050441773.db2.gz FCFNZQBXUMFRSV-UHFFFAOYSA-N 0 3 338.289 4.395 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Br)cc1 ZINC000618741699 1050501016 /nfs/dbraw/zinc/50/10/16/1050501016.db2.gz LHMBRMVYHFCWDA-QGZVFWFLSA-N 0 3 327.225 4.098 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(OCC(F)(F)F)cc1 ZINC000618743065 1050502957 /nfs/dbraw/zinc/50/29/57/1050502957.db2.gz VNZCVXWQYDNHJP-SFHVURJKSA-N 0 3 346.352 4.276 20 30 EIEDHN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc(Cl)c1OC ZINC000618743115 1050502998 /nfs/dbraw/zinc/50/29/98/1050502998.db2.gz XDPUGMKPRSRTFJ-QGZVFWFLSA-N 0 3 342.826 4.006 20 30 EIEDHN C=CCC1(CNCc2ncc(Br)cc2F)CCCC1 ZINC001178710406 1050537330 /nfs/dbraw/zinc/53/73/30/1050537330.db2.gz YAYMDLKPHDOQTR-UHFFFAOYSA-N 0 3 327.241 4.209 20 30 EIEDHN CC[C@H](CC#N)N[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702140 1050547445 /nfs/dbraw/zinc/54/74/45/1050547445.db2.gz IOXQEHZIZBXIQZ-RTWAWAEBSA-N 0 3 334.463 4.405 20 30 EIEDHN CC1(C)C[C@@H](N[C@H]2CCc3cc(C#N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000618988317 1050621823 /nfs/dbraw/zinc/62/18/23/1050621823.db2.gz PILCPRGIAALSPN-VQTJNVASSA-N 0 3 347.418 4.466 20 30 EIEDHN CN(C)c1ccc(C#N)cc1CN[C@H]1CCCc2ccc(Cl)cc21 ZINC001179344004 1050680252 /nfs/dbraw/zinc/68/02/52/1050680252.db2.gz WYPYDQAMHJZFFD-IBGZPJMESA-N 0 3 339.870 4.445 20 30 EIEDHN COc1cccc2c1OCC[C@H]2N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508366 1050797042 /nfs/dbraw/zinc/79/70/42/1050797042.db2.gz JKQKXLUMLUOUDL-WOJBJXKFSA-N 0 3 348.446 4.448 20 30 EIEDHN COc1cc([C@@H](C)NCC2(CC#N)CC2)ccc1OCCC(C)C ZINC000619535114 1050814035 /nfs/dbraw/zinc/81/40/35/1050814035.db2.gz QSWGQHZWCAVGEM-MRXNPFEDSA-N 0 3 330.472 4.465 20 30 EIEDHN COc1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000619652459 1050845191 /nfs/dbraw/zinc/84/51/91/1050845191.db2.gz IBCWHRXJCOEWCT-LBPRGKRZSA-N 0 3 334.341 4.436 20 30 EIEDHN COc1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000619652458 1050845700 /nfs/dbraw/zinc/84/57/00/1050845700.db2.gz IBCWHRXJCOEWCT-GFCCVEGCSA-N 0 3 334.341 4.436 20 30 EIEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCCO2 ZINC000619755515 1050883370 /nfs/dbraw/zinc/88/33/70/1050883370.db2.gz ZJAQSUZBSQBEJW-ZDUSSCGKSA-N 0 3 342.826 4.224 20 30 EIEDHN N#Cc1ccc(CNCc2ccc(F)c3cccnc23)cc1Cl ZINC000619748683 1050893881 /nfs/dbraw/zinc/89/38/81/1050893881.db2.gz QNMTULFPVCJSCZ-UHFFFAOYSA-N 0 3 325.774 4.189 20 30 EIEDHN Cc1ccc(CC(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1 ZINC000775238528 1050969637 /nfs/dbraw/zinc/96/96/37/1050969637.db2.gz MRWJOZWDZQBOMC-MRXNPFEDSA-N 0 3 347.399 4.002 20 30 EIEDHN CO[C@@H](C)c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000183105790 1050981108 /nfs/dbraw/zinc/98/11/08/1050981108.db2.gz HZCHDGKZNJJGSC-KRWDZBQOSA-N 0 3 349.478 4.342 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775366054 1051134571 /nfs/dbraw/zinc/13/45/71/1051134571.db2.gz ZFTUFRIQFKHNTD-INIZCTEOSA-N 0 3 340.467 4.177 20 30 EIEDHN C=CCc1cc(CNCc2c(C)cccc2C)cc(OC)c1OC ZINC000773401765 1051160804 /nfs/dbraw/zinc/16/08/04/1051160804.db2.gz SWSXSEITKFWTKG-UHFFFAOYSA-N 0 3 325.452 4.339 20 30 EIEDHN C[C@@H](C#N)OCCN1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001174758110 1051180650 /nfs/dbraw/zinc/18/06/50/1051180650.db2.gz ACFFQVHIWPSNMU-WMLDXEAASA-N 0 3 340.389 4.031 20 30 EIEDHN CC(C)n1cccc1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000154417044 1051298770 /nfs/dbraw/zinc/29/87/70/1051298770.db2.gz SIZCYSSJNXPJKW-AWEZNQCLSA-N 0 3 336.420 4.078 20 30 EIEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2cccc(C)c2C)c(C#N)c1C ZINC000183734511 1051323610 /nfs/dbraw/zinc/32/36/10/1051323610.db2.gz OAOVLLWCAJCUHJ-CABCVRRESA-N 0 3 339.439 4.063 20 30 EIEDHN C#C[C@H](N[C@H](C)CCc1ccco1)c1ccc(Br)cc1 ZINC001182035449 1051377079 /nfs/dbraw/zinc/37/70/79/1051377079.db2.gz ZJWVBWTWLHCDLX-DYVFJYSZSA-N 0 3 332.241 4.327 20 30 EIEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)CC(=O)Nc1cccc(C#N)c1 ZINC001191194532 1051380479 /nfs/dbraw/zinc/38/04/79/1051380479.db2.gz UJPWZTMKGNAMLM-OAQYLSRUSA-N 0 3 349.478 4.148 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000155442426 1051418932 /nfs/dbraw/zinc/41/89/32/1051418932.db2.gz ADUZNDTTZXEOLC-MRXNPFEDSA-N 0 3 333.416 4.364 20 30 EIEDHN CC[C@@H](NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000774169573 1051490531 /nfs/dbraw/zinc/49/05/31/1051490531.db2.gz SJWLMRXUZQQTSW-MSOLQXFVSA-N 0 3 348.368 4.049 20 30 EIEDHN COc1ccccc1[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001175621784 1051677514 /nfs/dbraw/zinc/67/75/14/1051677514.db2.gz LTBBVIFUVMMDNH-QGZVFWFLSA-N 0 3 338.426 4.476 20 30 EIEDHN COc1cc(CN(C)[C@H](C)CSc2ccccc2)ccc1C#N ZINC001182752673 1051683971 /nfs/dbraw/zinc/68/39/71/1051683971.db2.gz CAWSRXQFGZBDPC-OAHLLOKOSA-N 0 3 326.465 4.179 20 30 EIEDHN Fc1ccc([C@@H](CC(F)(F)F)NCCCOC(F)(F)F)cc1 ZINC001192681970 1051790658 /nfs/dbraw/zinc/79/06/58/1051790658.db2.gz SCMYRWRNYJBVGX-LLVKDONJSA-N 0 3 333.247 4.335 20 30 EIEDHN CC(C)[C@@H](CN1CCO[C@@H](c2ccc(C#N)cc2)C1)c1ccccc1 ZINC001184044983 1051944930 /nfs/dbraw/zinc/94/49/30/1051944930.db2.gz GTAJJGDUYHNBIX-FGZHOGPDSA-N 0 3 334.463 4.371 20 30 EIEDHN CCN(CC)[C@H](CNc1ncc(Cl)c(C)c1C#N)c1ccsc1 ZINC001184829734 1052113108 /nfs/dbraw/zinc/11/31/08/1052113108.db2.gz DEQFIFSJVLKUKY-MRXNPFEDSA-N 0 3 348.903 4.472 20 30 EIEDHN CC(C)C[C@@]1(C)CCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001194533577 1052164402 /nfs/dbraw/zinc/16/44/02/1052164402.db2.gz DVTASRRKDCGVEV-GOSISDBHSA-N 0 3 333.863 4.051 20 30 EIEDHN C=CCCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000172421319 1052496585 /nfs/dbraw/zinc/49/65/85/1052496585.db2.gz LOOQJWKWYWLSCA-ZDUSSCGKSA-N 0 3 328.378 4.321 20 30 EIEDHN Fc1cccc(CNCC2(C(F)(F)F)CC2)c1OCC(F)(F)F ZINC000623523307 1052671500 /nfs/dbraw/zinc/67/15/00/1052671500.db2.gz SQZOKHVWALJNNN-UHFFFAOYSA-N 0 3 345.258 4.199 20 30 EIEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1COc2ccccc21 ZINC000185564052 1053018929 /nfs/dbraw/zinc/01/89/29/1053018929.db2.gz PGFKISBUNJNSGB-KSSFIOAISA-N 0 3 345.364 4.211 20 30 EIEDHN C=CCCSCCNCc1cc2cnn(C(C)C)c2nc1Cl ZINC000850354714 1053127732 /nfs/dbraw/zinc/12/77/32/1053127732.db2.gz VOHRCRBYWNNZPU-UHFFFAOYSA-N 0 3 338.908 4.065 20 30 EIEDHN CCCCCCCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000775622759 1053213719 /nfs/dbraw/zinc/21/37/19/1053213719.db2.gz HKSWNUVTAVISPW-QGZVFWFLSA-N 0 3 341.492 4.384 20 30 EIEDHN N#CC(C(=O)CC[C@H]1CC1(Cl)Cl)c1ccc2ccccc2n1 ZINC000850741090 1053343567 /nfs/dbraw/zinc/34/35/67/1053343567.db2.gz DJCNDWYBMHPHHH-STQMWFEESA-N 0 3 333.218 4.385 20 30 EIEDHN COc1ccc([C@@H]2C[C@H]2CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000850781714 1053360108 /nfs/dbraw/zinc/36/01/08/1053360108.db2.gz CKWMLHIIPGHJPY-XIRDDKMYSA-N 0 3 346.386 4.206 20 30 EIEDHN N#CC(C(=O)CC[C@H]1CC1(Cl)Cl)c1nccc2ccccc21 ZINC000850985163 1053396497 /nfs/dbraw/zinc/39/64/97/1053396497.db2.gz GDCDRDLFEBMGQL-JSGCOSHPSA-N 0 3 333.218 4.385 20 30 EIEDHN Cc1c(Cl)cccc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000865643211 1053565165 /nfs/dbraw/zinc/56/51/65/1053565165.db2.gz SMGUYEPGKUSLEL-UHFFFAOYSA-N 0 3 340.854 4.316 20 30 EIEDHN N#Cc1ccsc1NC(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000171935380 1053598821 /nfs/dbraw/zinc/59/88/21/1053598821.db2.gz BSFOQZJZACBUTL-SFHVURJKSA-N 0 3 339.464 4.079 20 30 EIEDHN C[C@@]1(C#N)CCN(CCCCCCCCCN2CC[C@@](C)(C#N)C2)C1 ZINC000852687139 1053601507 /nfs/dbraw/zinc/60/15/07/1053601507.db2.gz PWBBOMWIRBZYRQ-SFTDATJTSA-N 0 3 344.547 4.188 20 30 EIEDHN CCCC(=O)Nc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921543437 1053760846 /nfs/dbraw/zinc/76/08/46/1053760846.db2.gz UVQBMPYDXMIKAH-UHFFFAOYSA-N 0 3 335.451 4.204 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776747079 1053825714 /nfs/dbraw/zinc/82/57/14/1053825714.db2.gz XJGAAYOMFPGXFH-KBXCAEBGSA-N 0 3 337.398 4.229 20 30 EIEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000113317316 1053918479 /nfs/dbraw/zinc/91/84/79/1053918479.db2.gz WTONIKQASMRAMT-CQSZACIVSA-N 0 3 331.362 4.151 20 30 EIEDHN CC#CCN1CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001197587690 1053948358 /nfs/dbraw/zinc/94/83/58/1053948358.db2.gz DDQXAZYESCCPLU-IEBWSBKVSA-N 0 3 348.531 4.195 20 30 EIEDHN CCCCCCCOc1ccc(CN2CCC(NC(C)=O)CC2)cc1 ZINC000123265605 1054123182 /nfs/dbraw/zinc/12/31/82/1054123182.db2.gz MWMXBYZXJZWHIK-UHFFFAOYSA-N 0 3 346.515 4.136 20 30 EIEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H](CO)c2ccccc2)cc1 ZINC000123663328 1054218505 /nfs/dbraw/zinc/21/85/05/1054218505.db2.gz HTBZLAVXDFUQIF-BEFAXECRSA-N 0 3 331.843 4.202 20 30 EIEDHN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000776011871 1054444510 /nfs/dbraw/zinc/44/45/10/1054444510.db2.gz BYBWBDVSLGAMHI-YOEHRIQHSA-N 0 3 339.405 4.199 20 30 EIEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc(C(F)(F)F)nc2)cc1 ZINC000873186057 1054503839 /nfs/dbraw/zinc/50/38/39/1054503839.db2.gz CQCOYXMLLXYAJR-AWEZNQCLSA-N 0 3 348.368 4.353 20 30 EIEDHN CC[C@@H](CNCc1ccc(C#N)cc1F)Oc1cccc(Cl)c1 ZINC001200980724 1054595655 /nfs/dbraw/zinc/59/56/55/1054595655.db2.gz PMFXYLHVEPIFSL-INIZCTEOSA-N 0 3 332.806 4.298 20 30 EIEDHN Cc1ccc(CN(C)[C@H](C)c2cccc(N3CCOC3=O)c2)cc1C#N ZINC000859283428 1054655967 /nfs/dbraw/zinc/65/59/67/1054655967.db2.gz VTWMSSANDOPKBM-MRXNPFEDSA-N 0 3 349.434 4.016 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776164872 1054777396 /nfs/dbraw/zinc/77/73/96/1054777396.db2.gz KWWWPDPSDZHXGU-QFBILLFUSA-N 0 3 349.434 4.121 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000776186211 1054804152 /nfs/dbraw/zinc/80/41/52/1054804152.db2.gz RXLBZBBICUJUTQ-QGZVFWFLSA-N 0 3 344.842 4.325 20 30 EIEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21)C(F)(F)F ZINC000860470116 1054819306 /nfs/dbraw/zinc/81/93/06/1054819306.db2.gz NGUONKYHLFQTHW-BXUZGUMPSA-N 0 3 348.324 4.076 20 30 EIEDHN CSCCCN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001201698025 1054881182 /nfs/dbraw/zinc/88/11/82/1054881182.db2.gz VCWAVTRYFAOORQ-UHFFFAOYSA-N 0 3 335.476 4.185 20 30 EIEDHN CCCCCCCN1CCCn2cnc(COCc3ccco3)c2C1 ZINC001201776936 1054918897 /nfs/dbraw/zinc/91/88/97/1054918897.db2.gz PNWYLFHXDZMYLZ-UHFFFAOYSA-N 0 3 345.487 4.369 20 30 EIEDHN CCCCCCCCCCN1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001201874801 1054941527 /nfs/dbraw/zinc/94/15/27/1054941527.db2.gz GXRBTLUHPJEALH-LJQANCHMSA-N 0 3 335.536 4.497 20 30 EIEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000876673334 1054945921 /nfs/dbraw/zinc/94/59/21/1054945921.db2.gz WBSGBZOBCOAORC-FZMZJTMJSA-N 0 3 348.796 4.085 20 30 EIEDHN N#Cc1cnc(Cl)c(CN[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000877489808 1055063209 /nfs/dbraw/zinc/06/32/09/1055063209.db2.gz SLORITYAWBXSTM-PBHICJAKSA-N 0 3 329.806 4.172 20 30 EIEDHN N#Cc1cnc(Cl)c(CN[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000877496233 1055065829 /nfs/dbraw/zinc/06/58/29/1055065829.db2.gz OCBQZEAADFZKRO-SAZUREKKSA-N 0 3 332.234 4.296 20 30 EIEDHN C#C[C@H](NCCCP(=O)(OCC)OCC)c1ccc(Cl)cc1 ZINC000877542138 1055077615 /nfs/dbraw/zinc/07/76/15/1055077615.db2.gz WJDJRCKSEGLOED-INIZCTEOSA-N 0 3 343.791 4.260 20 30 EIEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000339043086 1055103558 /nfs/dbraw/zinc/10/35/58/1055103558.db2.gz NZPYTLHGTYSPFM-GRYCIOLGSA-N 0 3 329.391 4.034 20 30 EIEDHN CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(C#N)cc1C)CCC2 ZINC000186306708 1055339747 /nfs/dbraw/zinc/33/97/47/1055339747.db2.gz YXCAFLATBJVJSO-KRWDZBQOSA-N 0 3 325.481 4.395 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000878649128 1055367192 /nfs/dbraw/zinc/36/71/92/1055367192.db2.gz XKKCMJWVRQGJTD-GGAORHGYSA-N 0 3 346.474 4.307 20 30 EIEDHN Cc1ccc2[nH]c([C@@H]3CCCN(Cc4ccc(C#N)cc4F)C3)nc2c1 ZINC000130837832 1055719394 /nfs/dbraw/zinc/71/93/94/1055719394.db2.gz HRIOABOFGSIUNC-QGZVFWFLSA-N 0 3 348.425 4.262 20 30 EIEDHN Cc1ccc2nc([C@@H]3CCCN(Cc4ccc(C#N)cc4F)C3)[nH]c2c1 ZINC000130837832 1055719415 /nfs/dbraw/zinc/71/94/15/1055719415.db2.gz HRIOABOFGSIUNC-QGZVFWFLSA-N 0 3 348.425 4.262 20 30 EIEDHN N#CCC1CCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000542853947 1056280034 /nfs/dbraw/zinc/28/00/34/1056280034.db2.gz MUVUOJDGIYMNIB-UHFFFAOYSA-N 0 3 337.250 4.395 20 30 EIEDHN CCN(CCC(=O)Nc1ccccc1C#N)Cc1ccc(Cl)s1 ZINC000198385048 1056574215 /nfs/dbraw/zinc/57/42/15/1056574215.db2.gz MWENTWVYBDDZNL-UHFFFAOYSA-N 0 3 347.871 4.124 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N2CCCC3(C2)CCCCCC3)CC1 ZINC000465863288 1056700202 /nfs/dbraw/zinc/70/02/02/1056700202.db2.gz RCWNFSIPKZIDLZ-UHFFFAOYSA-N 0 3 347.547 4.173 20 30 EIEDHN CC[C@@H](C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000111087382 1056744267 /nfs/dbraw/zinc/74/42/67/1056744267.db2.gz PYIZVIPUAPHUGT-CQSZACIVSA-N 0 3 344.503 4.151 20 30 EIEDHN CC(C)CNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934878 1056796814 /nfs/dbraw/zinc/79/68/14/1056796814.db2.gz ZKPMWUIQUTVMKV-IRXDYDNUSA-N 0 3 349.478 4.037 20 30 EIEDHN CCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934034 1056800447 /nfs/dbraw/zinc/80/04/47/1056800447.db2.gz GSULRMJXVNDFQF-IRXDYDNUSA-N 0 3 349.478 4.181 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2ccco2)cc1 ZINC000744033338 1059236525 /nfs/dbraw/zinc/23/65/25/1059236525.db2.gz PIBWNIAXRSCJRY-ZQIUZPCESA-N 0 3 338.407 4.244 20 30 EIEDHN Cc1ccc([C@H](C)C(=O)C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000744062727 1059255457 /nfs/dbraw/zinc/25/54/57/1059255457.db2.gz JXGMVUAZTLNLFP-GXTWGEPZSA-N 0 3 337.404 4.087 20 30 EIEDHN C=CCN(CCc1ccccc1)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000744211467 1059328634 /nfs/dbraw/zinc/32/86/34/1059328634.db2.gz RDXXZWCVVTXUJI-UHFFFAOYSA-N 0 3 349.430 4.032 20 30 EIEDHN FC(F)(F)c1ccc(C#CCNCc2cccc3cnccc32)cc1 ZINC000181535202 1059511246 /nfs/dbraw/zinc/51/12/46/1059511246.db2.gz KEEICXACXNRIQH-UHFFFAOYSA-N 0 3 340.348 4.395 20 30 EIEDHN CCN(CC)Cc1cncc(N[C@](C)(C#N)c2ccccc2Cl)c1 ZINC001169388607 1060804560 /nfs/dbraw/zinc/80/45/60/1060804560.db2.gz JMOGMEYZFZOPMN-LJQANCHMSA-N 0 3 342.874 4.428 20 30 EIEDHN CS[C@H](C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000103330490 1060907335 /nfs/dbraw/zinc/90/73/35/1060907335.db2.gz NZXYEIQNUVQJMQ-SKDRFNHKSA-N 0 3 336.869 4.391 20 30 EIEDHN N#CCCCOc1cccc(CNCc2cccc3cccnc32)c1 ZINC000237823309 1032237625 /nfs/dbraw/zinc/23/76/25/1032237625.db2.gz FJMLKHRUMBHMCV-UHFFFAOYSA-N 0 3 331.419 4.207 20 30 EIEDHN CCCN(Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(C#N)cc1 ZINC000508622818 1032270350 /nfs/dbraw/zinc/27/03/50/1032270350.db2.gz YMQVDVBUYMDODD-UHFFFAOYSA-N 0 3 330.435 4.361 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCCCC[C@H]2c2ccncc2)cc1 ZINC000245501511 1032275579 /nfs/dbraw/zinc/27/55/79/1032275579.db2.gz CXLZJIOYZNMLGL-UTKZUKDTSA-N 0 3 335.451 4.490 20 30 EIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000532928839 1032392961 /nfs/dbraw/zinc/39/29/61/1032392961.db2.gz RYVXCAVHWUPPKR-CABCVRRESA-N 0 3 347.528 4.243 20 30 EIEDHN C[C@@H](CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000532941977 1032405567 /nfs/dbraw/zinc/40/55/67/1032405567.db2.gz PGFUHMSXHBDBJM-RBUKOAKNSA-N 0 3 349.478 4.057 20 30 EIEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C(C)C ZINC000533246430 1032562223 /nfs/dbraw/zinc/56/22/23/1032562223.db2.gz NVCUEBXIUIEKJD-UHFFFAOYSA-N 0 3 344.503 4.151 20 30 EIEDHN N#CC(C(=O)CCSc1nc2ccccc2s1)c1ccccn1 ZINC000049457089 1018763560 /nfs/dbraw/zinc/76/35/60/1018763560.db2.gz QAGOJEJGQHTVRI-LBPRGKRZSA-N 0 3 339.445 4.050 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](C)CCC[C@@H]2C)c1C ZINC000610216554 1019416107 /nfs/dbraw/zinc/41/61/07/1019416107.db2.gz PYPCIHGSYFYJLR-AEFFLSMTSA-N 0 3 341.499 4.061 20 30 EIEDHN N#Cc1cc(CNC2(c3ccc(Cl)cc3)CCOCC2)ccc1F ZINC000120436553 1019553440 /nfs/dbraw/zinc/55/34/40/1019553440.db2.gz LARVDAASANQXHG-UHFFFAOYSA-N 0 3 344.817 4.146 20 30 EIEDHN N#Cc1ccc(C2=CCN(Cc3ccnc4ccccc34)CC2)cc1 ZINC000535842831 1019711680 /nfs/dbraw/zinc/71/16/80/1019711680.db2.gz ZSBDWTFGPBZTBQ-UHFFFAOYSA-N 0 3 325.415 4.396 20 30 EIEDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000339660493 1019785761 /nfs/dbraw/zinc/78/57/61/1019785761.db2.gz HDWRZIGAIADRNE-SFHVURJKSA-N 0 3 348.425 4.020 20 30 EIEDHN CCC(CC)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000728913947 1032861896 /nfs/dbraw/zinc/86/18/96/1032861896.db2.gz FHIGDLVPBJEHMQ-HNNXBMFYSA-N 0 3 341.480 4.126 20 30 EIEDHN Cc1cc(CN(C)CC2(CC#N)CC2)cc(C)c1OCC(F)(F)F ZINC001167108286 1020184765 /nfs/dbraw/zinc/18/47/65/1020184765.db2.gz NTBPIQWVAVZKKK-UHFFFAOYSA-N 0 3 340.389 4.370 20 30 EIEDHN C=CC[C@@H](C)N[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000116907908 1020192850 /nfs/dbraw/zinc/19/28/50/1020192850.db2.gz JKBFSHXRNDIPCQ-UZLBHIALSA-N 0 3 338.451 4.238 20 30 EIEDHN C=CCCCCCCCN1Cc2cn(CC)nc2[C@@H](COCC)C1 ZINC001209439586 1020344713 /nfs/dbraw/zinc/34/47/13/1020344713.db2.gz TXZCUENVBGYZEF-LJQANCHMSA-N 0 3 333.520 4.365 20 30 EIEDHN CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C[C@H](O)CC#N ZINC001167156560 1020418143 /nfs/dbraw/zinc/41/81/43/1020418143.db2.gz DBTPUAAHMQGEMV-MRXNPFEDSA-N 0 3 332.444 4.039 20 30 EIEDHN C=CCN(CCc1nsc2ccccc21)Cc1cccc(C#N)c1 ZINC001167252161 1020679157 /nfs/dbraw/zinc/67/91/57/1020679157.db2.gz VLTPIOLQUCFUTH-UHFFFAOYSA-N 0 3 333.460 4.399 20 30 EIEDHN C=C(C)CN(CC)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000062647623 1020689285 /nfs/dbraw/zinc/68/92/85/1020689285.db2.gz XYBXCDXSOKOKTA-FQEVSTJZSA-N 0 3 343.515 4.067 20 30 EIEDHN C=CC[C@@H](CC)N[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000500818987 1032961135 /nfs/dbraw/zinc/96/11/35/1032961135.db2.gz WYOKWRYXBQTYPR-XLIONFOSSA-N 0 3 338.451 4.319 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000275772943 1021599751 /nfs/dbraw/zinc/59/97/51/1021599751.db2.gz ZCWDLJIKLUFRFF-MRXNPFEDSA-N 0 3 331.419 4.034 20 30 EIEDHN N#Cc1ccc(CNC[C@@H](Cc2ccccc2)C(F)(F)F)c(F)c1 ZINC000580249915 1021803726 /nfs/dbraw/zinc/80/37/26/1021803726.db2.gz RFNZRRUWLLDHNZ-MRXNPFEDSA-N 0 3 336.332 4.208 20 30 EIEDHN Cc1ccccc1-n1nccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000581478518 1021854036 /nfs/dbraw/zinc/85/40/36/1021854036.db2.gz VCCJYGWTGTZYEY-NRFANRHFSA-N 0 3 342.446 4.220 20 30 EIEDHN O=C1C=C2CN(Cc3ccc(Cl)cc3C(F)(F)F)CCC2S1 ZINC001143502513 1022165488 /nfs/dbraw/zinc/16/54/88/1022165488.db2.gz DOQZDXVKEOPLPU-CYBMUJFWSA-N 0 3 347.789 4.133 20 30 EIEDHN CC[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000341294305 1022369589 /nfs/dbraw/zinc/36/95/89/1022369589.db2.gz RSEUAHUJINWJBH-ACJLOTCBSA-N 0 3 341.842 4.280 20 30 EIEDHN C[C@@H]1Cc2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)ccc2O1 ZINC000581083025 1022824882 /nfs/dbraw/zinc/82/48/82/1022824882.db2.gz OMROOFHMYCKOQR-RISCZKNCSA-N 0 3 340.448 4.254 20 30 EIEDHN C=CCOc1ccc(CN[C@H]2CCCc3nc(CC)sc32)cc1 ZINC000584670597 1023164662 /nfs/dbraw/zinc/16/46/62/1023164662.db2.gz JAKLPRQDDNJHGV-INIZCTEOSA-N 0 3 328.481 4.438 20 30 EIEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000341226006 1023399818 /nfs/dbraw/zinc/39/98/18/1023399818.db2.gz VERWFQBAFFFUCE-WBVHZDCISA-N 0 3 347.890 4.097 20 30 EIEDHN CC[C@@H](NCC(=O)N(CCC#N)c1cccc(C)c1C)c1ccccc1 ZINC000341228733 1023405556 /nfs/dbraw/zinc/40/55/56/1023405556.db2.gz MWJGOLNORFYYKT-HXUWFJFHSA-N 0 3 349.478 4.291 20 30 EIEDHN N#Cc1ccc(CN(C[C@@H](O)c2ccc(Cl)c(F)c2)C2CC2)cc1 ZINC000759846412 1023708512 /nfs/dbraw/zinc/70/85/12/1023708512.db2.gz XLZNIJNRHUEBGO-LJQANCHMSA-N 0 3 344.817 4.049 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000728711468 1023738968 /nfs/dbraw/zinc/73/89/68/1023738968.db2.gz ALQMWOQIHZLZGA-ZDUSSCGKSA-N 0 3 334.341 4.286 20 30 EIEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccccc1C(F)(F)F ZINC000581907751 1023867665 /nfs/dbraw/zinc/86/76/65/1023867665.db2.gz FKCGISJVUZALTK-UHFFFAOYSA-N 0 3 348.368 4.226 20 30 EIEDHN N#CCC1(CN[C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000430718444 1023978846 /nfs/dbraw/zinc/97/88/46/1023978846.db2.gz CQYIPPKLOAGOGL-ZDUSSCGKSA-N 0 3 337.286 4.269 20 30 EIEDHN C=CC[C@@H]1CC[C@H](N[C@H](c2nc(-c3cccnc3)no2)C(C)C)C1 ZINC000651751711 1023979516 /nfs/dbraw/zinc/97/95/16/1023979516.db2.gz FFHPNHCJKVTXRT-PVAVHDDUSA-N 0 3 326.444 4.163 20 30 EIEDHN Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCC1(CC#N)CC1 ZINC000430743173 1024001650 /nfs/dbraw/zinc/00/16/50/1024001650.db2.gz JNXRJROEZOMUHX-CQSZACIVSA-N 0 3 325.481 4.387 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000594440739 1024087304 /nfs/dbraw/zinc/08/73/04/1024087304.db2.gz ZDRTYVYNBVZUOU-WOJBJXKFSA-N 0 3 341.499 4.226 20 30 EIEDHN C=CCOc1ccccc1CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000651902112 1024192428 /nfs/dbraw/zinc/19/24/28/1024192428.db2.gz DABBDNHWXYWLRN-UHFFFAOYSA-N 0 3 329.337 4.118 20 30 EIEDHN C=CCN(CCCc1nc(-c2ccccc2)no1)Cc1cccs1 ZINC000510790646 1024490093 /nfs/dbraw/zinc/49/00/93/1024490093.db2.gz IRWHIVJEVYLWFX-UHFFFAOYSA-N 0 3 339.464 4.419 20 30 EIEDHN N#Cc1ccccc1OC1CCC(NCc2ncc(Cl)s2)CC1 ZINC000349606837 1024558024 /nfs/dbraw/zinc/55/80/24/1024558024.db2.gz CFHZXHDAJCZRCM-UHFFFAOYSA-N 0 3 347.871 4.148 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C(C)C)oc2C)cc1 ZINC000796800358 1024611140 /nfs/dbraw/zinc/61/11/40/1024611140.db2.gz SMHRRHXBRMQJAC-QGZVFWFLSA-N 0 3 338.407 4.235 20 30 EIEDHN CCc1c(C(=O)C(C#N)c2ccc3ccccc3n2)cnn1C(C)(C)C ZINC000048859195 1024741603 /nfs/dbraw/zinc/74/16/03/1024741603.db2.gz QYQKGTMIKOMWGP-HNNXBMFYSA-N 0 3 346.434 4.239 20 30 EIEDHN CC(C)c1ccc([C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(C)C)cc1 ZINC000510923210 1024824447 /nfs/dbraw/zinc/82/44/47/1024824447.db2.gz XAALQDHTKBUWEX-LEWJYISDSA-N 0 3 343.515 4.151 20 30 EIEDHN COc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)ccc1SC ZINC000187665120 1024833737 /nfs/dbraw/zinc/83/37/37/1024833737.db2.gz QGYQHBKGOBQOGN-CQSZACIVSA-N 0 3 326.465 4.482 20 30 EIEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1-c1ccccc1 ZINC000662086426 1024853270 /nfs/dbraw/zinc/85/32/70/1024853270.db2.gz RRUYYVFYHYCVMN-KDURUIRLSA-N 0 3 332.447 4.475 20 30 EIEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000341892970 1024960750 /nfs/dbraw/zinc/96/07/50/1024960750.db2.gz XIJUGJHZXSWJKH-QAPCUYQASA-N 0 3 349.906 4.025 20 30 EIEDHN C=CCC[C@@H](NCC(=O)N([C@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000341930382 1024998287 /nfs/dbraw/zinc/99/82/87/1024998287.db2.gz LRDPYLUETXVRJN-OXQOHEQNSA-N 0 3 326.484 4.073 20 30 EIEDHN CN(Cc1csc(C#N)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000893567048 1025063559 /nfs/dbraw/zinc/06/35/59/1025063559.db2.gz JJGDVPSGLBLUMX-AEFFLSMTSA-N 0 3 330.428 4.111 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000549828591 1033267263 /nfs/dbraw/zinc/26/72/63/1033267263.db2.gz PFSVBZUAABTXAV-LSDHHAIUSA-N 0 3 334.398 4.295 20 30 EIEDHN CCOc1cc(CNCc2cccc(C#N)c2)ccc1OCC(C)C ZINC000066972037 1025620481 /nfs/dbraw/zinc/62/04/81/1025620481.db2.gz QQFBJAVCKBGNKI-UHFFFAOYSA-N 0 3 338.451 4.282 20 30 EIEDHN C=CCOc1cccc(CN[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000342273073 1025731949 /nfs/dbraw/zinc/73/19/49/1025731949.db2.gz FXQDQZNRTYUVLU-IBGZPJMESA-N 0 3 331.843 4.118 20 30 EIEDHN C=CCN(CCc1ccccc1)Cc1ccc(Br)cn1 ZINC000512040164 1025826036 /nfs/dbraw/zinc/82/60/36/1025826036.db2.gz ZRWDENWFGHHQQB-UHFFFAOYSA-N 0 3 331.257 4.075 20 30 EIEDHN C=CCN1CCC(NC(=O)C2(C3CCCCC3)CCCCC2)CC1 ZINC000472105871 1025836294 /nfs/dbraw/zinc/83/62/94/1025836294.db2.gz JYUZLZAKZYYEBX-UHFFFAOYSA-N 0 3 332.532 4.284 20 30 EIEDHN C=CCN(CCc1ccccc1)Cc1cnc(-c2ccncc2)s1 ZINC000512045311 1025841348 /nfs/dbraw/zinc/84/13/48/1025841348.db2.gz LZDFKMUZBXXYLO-UHFFFAOYSA-N 0 3 335.476 4.436 20 30 EIEDHN COc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)ccc1SC ZINC000187665106 1025883837 /nfs/dbraw/zinc/88/38/37/1025883837.db2.gz QGYQHBKGOBQOGN-AWEZNQCLSA-N 0 3 326.465 4.482 20 30 EIEDHN C[C@@H](NCc1cccc(COCC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000182055612 1026020078 /nfs/dbraw/zinc/02/00/78/1026020078.db2.gz GZJNETMHVCIZFO-CQSZACIVSA-N 0 3 348.368 4.488 20 30 EIEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(Oc3ccccc3F)c2)C1 ZINC000279619359 1026550512 /nfs/dbraw/zinc/55/05/12/1026550512.db2.gz YDVXDMJKZAJZES-ZBFHGGJFSA-N 0 3 325.387 4.185 20 30 EIEDHN N#CC(C(=O)C=Cc1cccs1)c1nc2ccccc2n1C(F)F ZINC000051655364 1026592811 /nfs/dbraw/zinc/59/28/11/1026592811.db2.gz PVEZMTFSAAJDLL-ABZNLYFFSA-N 0 3 343.358 4.383 20 30 EIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(OCc2cccnc2)cc1 ZINC000507255312 1026723729 /nfs/dbraw/zinc/72/37/29/1026723729.db2.gz ZNFFVJGWCZXCPY-UHFFFAOYSA-N 0 3 343.430 4.164 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(SCC)cc1 ZINC000507508326 1026821415 /nfs/dbraw/zinc/82/14/15/1026821415.db2.gz IVRGHEQGMIGDCK-CVEARBPZSA-N 0 3 334.529 4.262 20 30 EIEDHN CC(C)(C#N)CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000277715915 1026829387 /nfs/dbraw/zinc/82/93/87/1026829387.db2.gz MZQSFGYRPIHBHA-SFHVURJKSA-N 0 3 330.472 4.093 20 30 EIEDHN CC(C)(C#N)CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000277715915 1026829389 /nfs/dbraw/zinc/82/93/89/1026829389.db2.gz MZQSFGYRPIHBHA-SFHVURJKSA-N 0 3 330.472 4.093 20 30 EIEDHN CC(C)CN(Cc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000520173886 1027274298 /nfs/dbraw/zinc/27/42/98/1027274298.db2.gz GQZLNNWRYLLUBC-UHFFFAOYSA-N 0 3 344.462 4.402 20 30 EIEDHN N#Cc1cccc(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)c1 ZINC000151398569 1027287913 /nfs/dbraw/zinc/28/79/13/1027287913.db2.gz VYDILRAISCQZRD-QGZVFWFLSA-N 0 3 332.325 4.234 20 30 EIEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000520174368 1027296543 /nfs/dbraw/zinc/29/65/43/1027296543.db2.gz GHCYOHHLTSDTCH-IBGZPJMESA-N 0 3 341.499 4.144 20 30 EIEDHN N#CCCC[C@@H](NCc1cncc(Br)c1)c1ccccc1 ZINC000353903034 1027574754 /nfs/dbraw/zinc/57/47/54/1027574754.db2.gz VCDIEWOCJGSXDO-QGZVFWFLSA-N 0 3 344.256 4.369 20 30 EIEDHN C=CCc1cc(CNCc2ccc(F)c(C)c2)cc(OC)c1OC ZINC000237314948 1027700453 /nfs/dbraw/zinc/70/04/53/1027700453.db2.gz QMUXZPBYTHVLJP-UHFFFAOYSA-N 0 3 329.415 4.170 20 30 EIEDHN FC(F)(F)c1ccc(C#CCNCc2cccc3cc[nH]c32)cc1 ZINC000237870255 1027736418 /nfs/dbraw/zinc/73/64/18/1027736418.db2.gz SQTOISZGIPYICE-UHFFFAOYSA-N 0 3 328.337 4.328 20 30 EIEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000329518493 1027827047 /nfs/dbraw/zinc/82/70/47/1027827047.db2.gz PSBBANJNTIHXNU-QZTJIDSGSA-N 0 3 344.503 4.207 20 30 EIEDHN C[C@H]1CSCCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444640115 1027935123 /nfs/dbraw/zinc/93/51/23/1027935123.db2.gz BEEXBPNVLJQZDY-SFHVURJKSA-N 0 3 336.504 4.324 20 30 EIEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000330272829 1028246615 /nfs/dbraw/zinc/24/66/15/1028246615.db2.gz YFHYITSCTMRXQF-FGEZKYSXSA-N 0 3 343.254 4.127 20 30 EIEDHN CCN1CCN(c2ccc(N[C@H](C#N)C3CCCCC3)c(C)c2)CC1 ZINC000523740214 1028346348 /nfs/dbraw/zinc/34/63/48/1028346348.db2.gz AFTDKMWIIWHWFL-OAQYLSRUSA-N 0 3 340.515 4.021 20 30 EIEDHN CCCN(CCCCC(C)(C)C#N)CC(=O)Nc1ccccc1OC ZINC000278172198 1028391738 /nfs/dbraw/zinc/39/17/38/1028391738.db2.gz QEWRPROLKQLENF-UHFFFAOYSA-N 0 3 345.487 4.066 20 30 EIEDHN CC(C)c1ccc(CCN2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000548791758 1028434598 /nfs/dbraw/zinc/43/45/98/1028434598.db2.gz JCOAYYISQIRPML-UHFFFAOYSA-N 0 3 333.479 4.305 20 30 EIEDHN CC[C@@H](NCc1ccnc(N2CCCCC2)c1)c1ccc(C#N)cc1 ZINC000278194120 1028473857 /nfs/dbraw/zinc/47/38/57/1028473857.db2.gz FRBUQCARZOEIJP-HXUWFJFHSA-N 0 3 334.467 4.184 20 30 EIEDHN Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000583499459 1028820223 /nfs/dbraw/zinc/82/02/23/1028820223.db2.gz IIMABIUCGBPNLV-CQSZACIVSA-N 0 3 348.475 4.430 20 30 EIEDHN N#Cc1ccsc1NC(=O)CCN1CCCCC[C@H]1c1ccco1 ZINC000121228813 1028890754 /nfs/dbraw/zinc/89/07/54/1028890754.db2.gz CTCOEWOZCGCTGS-HNNXBMFYSA-N 0 3 343.452 4.159 20 30 EIEDHN C[C@H]1SCCN(CCOc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000522837412 1028985695 /nfs/dbraw/zinc/98/56/95/1028985695.db2.gz YQJPLBBJSGMYIR-UZLBHIALSA-N 0 3 338.476 4.116 20 30 EIEDHN C=CCCCCCN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000524799412 1029230656 /nfs/dbraw/zinc/23/06/56/1029230656.db2.gz ANTSWIFWPIIZGH-QGZVFWFLSA-N 0 3 349.544 4.273 20 30 EIEDHN COc1ccc([C@H]2CCCN2Cc2ccc(C#N)cc2C)cc1OC ZINC000186160950 1029327749 /nfs/dbraw/zinc/32/77/49/1029327749.db2.gz XGKLXDLTDZOAFS-LJQANCHMSA-N 0 3 336.435 4.221 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1Br ZINC000035256363 1029426959 /nfs/dbraw/zinc/42/69/59/1029426959.db2.gz CUWRYJNUWZYJDZ-LBPRGKRZSA-N 0 3 345.240 4.180 20 30 EIEDHN CC(C)(C)[C@@H]1CCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000525274073 1029544562 /nfs/dbraw/zinc/54/45/62/1029544562.db2.gz CLBIGAHDSVFGLZ-KRWDZBQOSA-N 0 3 347.890 4.097 20 30 EIEDHN COc1cccc([C@H](CNc2cccc(C(F)F)c2C#N)N(C)C)c1 ZINC000573024834 1029557205 /nfs/dbraw/zinc/55/72/05/1029557205.db2.gz KGQGQZMOTBUVSY-SFHVURJKSA-N 0 3 345.393 4.219 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000186319928 1029557956 /nfs/dbraw/zinc/55/79/56/1029557956.db2.gz YBJSIVSZWLDKSP-HNNXBMFYSA-N 0 3 333.435 4.066 20 30 EIEDHN COc1ccc(C#N)cc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000446859106 1029611417 /nfs/dbraw/zinc/61/14/17/1029611417.db2.gz YSWQSAIVDJJDMU-UHFFFAOYSA-N 0 3 333.435 4.097 20 30 EIEDHN CC(C)(C#N)c1ccccc1CN[C@H](c1ccccc1)C(C)(C)CO ZINC000429702890 1029701751 /nfs/dbraw/zinc/70/17/51/1029701751.db2.gz OYOMOJQFHRRRIM-HXUWFJFHSA-N 0 3 336.479 4.337 20 30 EIEDHN CC[C@H](C)c1ccc([C@@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000526135883 1030292379 /nfs/dbraw/zinc/29/23/79/1030292379.db2.gz OVJQSNGXYMFDTE-JXFKEZNVSA-N 0 3 341.499 4.049 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(c3ccsc3)CC2)cc1 ZINC000188694271 1030417105 /nfs/dbraw/zinc/41/71/05/1030417105.db2.gz QMHQAOHNEYPBOF-HNNXBMFYSA-N 0 3 326.465 4.419 20 30 EIEDHN C[C@@H]1C[C@H](c2cccnc2)N(Cc2cccc(OCCCC#N)c2)C1 ZINC000190961043 1030591681 /nfs/dbraw/zinc/59/16/81/1030591681.db2.gz VDHRCZCWBKYVAQ-DYESRHJHSA-N 0 3 335.451 4.347 20 30 EIEDHN N#Cc1ccc(C2(NCc3ccc(Cl)c(F)c3)CCOCC2)cc1 ZINC000527808448 1030855008 /nfs/dbraw/zinc/85/50/08/1030855008.db2.gz AGFKRJJZXAPKCG-UHFFFAOYSA-N 0 3 344.817 4.146 20 30 EIEDHN C=CCCn1cc(CN[C@H](C)C(c2ccccc2)c2ccccc2)nn1 ZINC000653613259 1030883021 /nfs/dbraw/zinc/88/30/21/1030883021.db2.gz AFMFHXIYNPKKQG-GOSISDBHSA-N 0 3 346.478 4.164 20 30 EIEDHN COc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1C1CC1 ZINC000647379534 1030911611 /nfs/dbraw/zinc/91/16/11/1030911611.db2.gz RAHCIERPMASIIQ-HNNXBMFYSA-N 0 3 338.432 4.397 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000179787252 1031290052 /nfs/dbraw/zinc/29/00/52/1031290052.db2.gz JAEPWVRMMHVNDE-INIZCTEOSA-N 0 3 336.410 4.406 20 30 EIEDHN Cc1cc(C)cc(C2=CCN(CCOc3cccc(C#N)c3)CC2)c1 ZINC001168222203 1031362982 /nfs/dbraw/zinc/36/29/82/1031362982.db2.gz FFAJBGNHBNNBCO-UHFFFAOYSA-N 0 3 332.447 4.343 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000548923322 1031441863 /nfs/dbraw/zinc/44/18/63/1031441863.db2.gz ARIMIZJRALOOCE-INIZCTEOSA-N 0 3 349.453 4.285 20 30 EIEDHN CC(C)(C#N)CCCN[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000472429484 1031506856 /nfs/dbraw/zinc/50/68/56/1031506856.db2.gz HGCQWTONPSEZON-IBGZPJMESA-N 0 3 335.451 4.286 20 30 EIEDHN N#Cc1ccc(CN[C@H](c2ccc(Cl)cc2)[C@H]2CCOC2)cc1F ZINC000365256369 1031575226 /nfs/dbraw/zinc/57/52/26/1031575226.db2.gz NCMNGZHPQJMTBS-QFBILLFUSA-N 0 3 344.817 4.218 20 30 EIEDHN Cc1cc(-c2noc([C@H](C)NC3CCC(C)(C#N)CC3)n2)ccc1F ZINC000449279764 1031593460 /nfs/dbraw/zinc/59/34/60/1031593460.db2.gz SRVIBVIRYFPHOO-XIWWETDGSA-N 0 3 342.418 4.307 20 30 EIEDHN N#Cc1ccc(CN[C@H](C[C@H]2CCCO2)c2ccc(F)cc2)cc1F ZINC000453359574 1031889193 /nfs/dbraw/zinc/88/91/93/1031889193.db2.gz ALZHAANGEMKLBY-UYAOXDASSA-N 0 3 342.389 4.236 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccc(Br)cc2)C2CC2)cc1 ZINC000026331495 1032011751 /nfs/dbraw/zinc/01/17/51/1032011751.db2.gz NOCQRZYPPZWNDS-UHFFFAOYSA-N 0 3 341.252 4.485 20 30 EIEDHN Cc1nc(C(C)C)ccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000453577126 1032026733 /nfs/dbraw/zinc/02/67/33/1032026733.db2.gz WMGOZXKOXQCWGS-AWEZNQCLSA-N 0 3 347.340 4.417 20 30 EIEDHN COc1cc(CN(C)Cc2ccc(C(C)(C)C#N)cc2)cc(OC)c1 ZINC000614160582 1033532231 /nfs/dbraw/zinc/53/22/31/1033532231.db2.gz IOKDVGNMZKBUSB-UHFFFAOYSA-N 0 3 338.451 4.137 20 30 EIEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000614180078 1033592234 /nfs/dbraw/zinc/59/22/34/1033592234.db2.gz VNSYLABTLUZVCP-OAHLLOKOSA-N 0 3 336.435 4.110 20 30 EIEDHN CC(C)[C@H](CN[C@H](C)c1ccc(C#N)cc1F)Nc1ccccc1 ZINC000512655283 1033631201 /nfs/dbraw/zinc/63/12/01/1033631201.db2.gz SSOMUWQJYUYFHR-QRWLVFNGSA-N 0 3 325.431 4.485 20 30 EIEDHN Cc1ccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000433014646 1033657515 /nfs/dbraw/zinc/65/75/15/1033657515.db2.gz GFFJZJJHXRLRPM-HXUWFJFHSA-N 0 3 335.451 4.267 20 30 EIEDHN COc1cc(CN[C@H](CCCC#N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000433018330 1033665116 /nfs/dbraw/zinc/66/51/16/1033665116.db2.gz GRDRNLJZMXQZFH-QGZVFWFLSA-N 0 3 339.395 4.128 20 30 EIEDHN Cc1cccc(C)c1NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433013933 1033675392 /nfs/dbraw/zinc/67/53/92/1033675392.db2.gz QCWIXZALIIIILB-LJQANCHMSA-N 0 3 335.451 4.267 20 30 EIEDHN C[C@H](c1ccccc1)N(C)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433023287 1033681232 /nfs/dbraw/zinc/68/12/32/1033681232.db2.gz OMLLHCSLZZEXHZ-NQIIRXRSSA-N 0 3 349.478 4.231 20 30 EIEDHN CCN(C(=O)CN[C@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000433028646 1033695928 /nfs/dbraw/zinc/69/59/28/1033695928.db2.gz CPLKEVRNRVSXQS-HXUWFJFHSA-N 0 3 341.499 4.192 20 30 EIEDHN N#CCCC[C@@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000433041125 1033714074 /nfs/dbraw/zinc/71/40/74/1033714074.db2.gz SWWYVSSSFOXOHS-OAQYLSRUSA-N 0 3 347.462 4.139 20 30 EIEDHN N#CC1(CCN[C@H](CO)c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000584337465 1034540315 /nfs/dbraw/zinc/54/03/15/1034540315.db2.gz OMWSBTVERQKHLS-MRXNPFEDSA-N 0 3 340.389 4.193 20 30 EIEDHN COc1ccccc1O[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000513405813 1034920304 /nfs/dbraw/zinc/92/03/04/1034920304.db2.gz JFQSCFDDNCKWGO-APWZRJJASA-N 0 3 336.435 4.171 20 30 EIEDHN N#CCC1(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000430036402 1035401300 /nfs/dbraw/zinc/40/13/00/1035401300.db2.gz PHFRDXSCMJDVTG-UHFFFAOYSA-N 0 3 342.446 4.323 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2cccc(Cl)c2)s1 ZINC000419827718 1035421629 /nfs/dbraw/zinc/42/16/29/1035421629.db2.gz BRAVZQNHCPZXKL-GFCCVEGCSA-N 0 3 333.844 4.340 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1C ZINC000419829548 1035422012 /nfs/dbraw/zinc/42/20/12/1035422012.db2.gz DPTOCAURSQBXIZ-ZDUSSCGKSA-N 0 3 327.453 4.303 20 30 EIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccnc1N1CCCC1 ZINC000595064751 1035544710 /nfs/dbraw/zinc/54/47/10/1035544710.db2.gz FQWPVNSNSBQCMG-NRFANRHFSA-N 0 3 346.478 4.111 20 30 EIEDHN C[C@H](COc1c(F)cccc1F)N[C@H](C)c1ccc(C#N)cc1F ZINC000595071865 1035554656 /nfs/dbraw/zinc/55/46/56/1035554656.db2.gz CDPBYQVABTWFFN-VXGBXAGGSA-N 0 3 334.341 4.094 20 30 EIEDHN COc1ccc(C[C@@H](C)NCC2(C#N)CCCCC2)c(C)c1OC ZINC000595092180 1035597726 /nfs/dbraw/zinc/59/77/26/1035597726.db2.gz YLNYMSJODHNISI-OAHLLOKOSA-N 0 3 330.472 4.007 20 30 EIEDHN CC(C)(C)OC(=O)[C@@H]1CN(CCCC(C)(C)C#N)Cc2ccccc21 ZINC000595614297 1035749052 /nfs/dbraw/zinc/74/90/52/1035749052.db2.gz KIGPQOLIQCHTMR-GOSISDBHSA-N 0 3 342.483 4.257 20 30 EIEDHN N#Cc1cc(CN2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000586774192 1035833934 /nfs/dbraw/zinc/83/39/34/1035833934.db2.gz FPNAUULTKKXGKM-INIZCTEOSA-N 0 3 345.368 4.352 20 30 EIEDHN N#CCC1(CNCc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000430045173 1035849406 /nfs/dbraw/zinc/84/94/06/1035849406.db2.gz XRNRWXDNIZIDKU-UHFFFAOYSA-N 0 3 347.178 4.251 20 30 EIEDHN COc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c(C)c1OC ZINC000586793886 1035850135 /nfs/dbraw/zinc/85/01/35/1035850135.db2.gz NOCHEKHLTLWVGJ-IFXJQAMLSA-N 0 3 336.435 4.222 20 30 EIEDHN N#Cc1ccc(OC2CCN(Cc3cc4ccncc4s3)CC2)cc1 ZINC000596997148 1036072381 /nfs/dbraw/zinc/07/23/81/1036072381.db2.gz ZLDMDBAPEGWOQA-UHFFFAOYSA-N 0 3 349.459 4.211 20 30 EIEDHN C[C@H](CC1(C#N)CCOCC1)N[C@H]1CCSc2c(F)cccc21 ZINC000602512129 1036487516 /nfs/dbraw/zinc/48/75/16/1036487516.db2.gz QDCRGORMAGNNJD-CJNGLKHVSA-N 0 3 334.460 4.051 20 30 EIEDHN CC[C@@H](C)Oc1cc(C)ccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602565898 1036498667 /nfs/dbraw/zinc/49/86/67/1036498667.db2.gz BDRRPXWWJGDKKD-ZWKOTPCHSA-N 0 3 344.499 4.361 20 30 EIEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(OC(F)F)c1 ZINC000589336455 1036739113 /nfs/dbraw/zinc/73/91/13/1036739113.db2.gz JZPDWZALXGVEFS-KPZWWZAWSA-N 0 3 328.362 4.498 20 30 EIEDHN Cc1ccc(CNC2(c3ccc(Cl)cc3)CCOCC2)cc1C#N ZINC000599325522 1036954516 /nfs/dbraw/zinc/95/45/16/1036954516.db2.gz HTEJGUDUIHYQTJ-UHFFFAOYSA-N 0 3 340.854 4.316 20 30 EIEDHN CN(CCOc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000603838841 1037021280 /nfs/dbraw/zinc/02/12/80/1037021280.db2.gz PAXRFGJGAXUBJN-UHFFFAOYSA-N 0 3 334.341 4.088 20 30 EIEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc([S@](C)=O)cc1 ZINC000271848846 1037036295 /nfs/dbraw/zinc/03/62/95/1037036295.db2.gz VNEYVRAGUUIOFX-MYYSRTQBSA-N 0 3 340.492 4.076 20 30 EIEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc2ccccc21 ZINC000057555221 1037108046 /nfs/dbraw/zinc/10/80/46/1037108046.db2.gz DPBHBHRQVSWZAG-CVEARBPZSA-N 0 3 343.430 4.389 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000057555223 1037110117 /nfs/dbraw/zinc/11/01/17/1037110117.db2.gz DPBHBHRQVSWZAG-JKSUJKDBSA-N 0 3 343.430 4.389 20 30 EIEDHN C=C(C)COc1cc(CNCc2cccc(COC)c2)ccc1OC ZINC000057963853 1037355443 /nfs/dbraw/zinc/35/54/43/1037355443.db2.gz UXIHEQCKUHHJDP-UHFFFAOYSA-N 0 3 341.451 4.086 20 30 EIEDHN C=CC[C@H](C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000488704518 1037716893 /nfs/dbraw/zinc/71/68/93/1037716893.db2.gz SHLOECJIGLNMJR-COPCDDAFSA-N 0 3 348.490 4.298 20 30 EIEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(CC#N)cc1)CCCS2 ZINC000574452376 1038250461 /nfs/dbraw/zinc/25/04/61/1038250461.db2.gz FOBMILIGSRBWCK-IBGZPJMESA-N 0 3 338.476 4.478 20 30 EIEDHN N#CCC1(CNCc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000430074844 1038307771 /nfs/dbraw/zinc/30/77/71/1038307771.db2.gz JAHKUBFXXOZCQR-UHFFFAOYSA-N 0 3 334.463 4.482 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000594435986 1038332167 /nfs/dbraw/zinc/33/21/67/1038332167.db2.gz GGXOYTFNKCGPGL-OAQYLSRUSA-N 0 3 349.478 4.212 20 30 EIEDHN Cc1ccc(Oc2ccccc2NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594425244 1038339916 /nfs/dbraw/zinc/33/99/16/1038339916.db2.gz GUIMCCGPIVKNHM-QGZVFWFLSA-N 0 3 337.423 4.137 20 30 EIEDHN CC(C)C(=O)Nc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594493439 1038343210 /nfs/dbraw/zinc/34/32/10/1038343210.db2.gz OLQMWRYJLTVANF-UHFFFAOYSA-N 0 3 349.478 4.372 20 30 EIEDHN CC(C)OCc1ccccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594915668 1038424708 /nfs/dbraw/zinc/42/47/08/1038424708.db2.gz VVGMISYSYVCZNE-UHFFFAOYSA-N 0 3 334.463 4.457 20 30 EIEDHN N#CC(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1nc2ccccc2[nH]1 ZINC000173902968 1038781390 /nfs/dbraw/zinc/78/13/90/1038781390.db2.gz BGPFGDUEWJLCED-ULYRPOKDSA-N 0 3 341.414 4.033 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCC(F)(F)F)cc1 ZINC000173970088 1038802528 /nfs/dbraw/zinc/80/25/28/1038802528.db2.gz QLLHRRBEDKTCLM-CQSZACIVSA-N 0 3 340.345 4.019 20 30 EIEDHN C=CCN1CCC(NC(=O)c2ccc(C(C)(C)C)c(Cl)c2)CC1 ZINC000555023861 1038829421 /nfs/dbraw/zinc/82/94/21/1038829421.db2.gz BTODQNSOBRFLHQ-UHFFFAOYSA-N 0 3 334.891 4.018 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000174091488 1038840870 /nfs/dbraw/zinc/84/08/70/1038840870.db2.gz DJGZJCHKGLFHJA-HNAYVOBHSA-N 0 3 349.434 4.099 20 30 EIEDHN COc1ccc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)c(C)c1 ZINC000608553053 1038848170 /nfs/dbraw/zinc/84/81/70/1038848170.db2.gz NCYHWIMOUGPKHF-AWEZNQCLSA-N 0 3 340.379 4.243 20 30 EIEDHN CCOc1c(F)cccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000608552757 1038849055 /nfs/dbraw/zinc/84/90/55/1038849055.db2.gz GDBSIBWTUXIXJQ-OAHLLOKOSA-N 0 3 334.350 4.263 20 30 EIEDHN COc1c(C)cc(C(=O)C(C#N)c2nc3ccccc3s2)cc1C ZINC000539145349 1038856213 /nfs/dbraw/zinc/85/62/13/1038856213.db2.gz ACMWLKYFWFONSC-CQSZACIVSA-N 0 3 336.416 4.412 20 30 EIEDHN C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000552033538 1038871630 /nfs/dbraw/zinc/87/16/30/1038871630.db2.gz HKBBHSLBFGAIDX-CQSZACIVSA-N 0 3 341.405 4.156 20 30 EIEDHN C=CCCN[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000462186811 1038992606 /nfs/dbraw/zinc/99/26/06/1038992606.db2.gz ICQFEHRKRNGDLX-LJQANCHMSA-N 0 3 329.827 4.366 20 30 EIEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC000481446068 1039439278 /nfs/dbraw/zinc/43/92/78/1039439278.db2.gz RTMXGOMOARRLFJ-XIKOKIGWSA-N 0 3 332.806 4.217 20 30 EIEDHN COc1ccccc1[C@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000093008188 1039619478 /nfs/dbraw/zinc/61/94/78/1039619478.db2.gz ZREOODVFPUUCNB-OXQOHEQNSA-N 0 3 336.435 4.323 20 30 EIEDHN C=C(C)[C@H](NCCOc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000481606835 1039626810 /nfs/dbraw/zinc/62/68/10/1039626810.db2.gz SIPGWFBXWWUIIL-IBGZPJMESA-N 0 3 328.362 4.122 20 30 EIEDHN C=C[C@@H](Cc1nc(-c2ccc(CN(C)C)cc2)no1)c1ccccc1 ZINC000534692663 1039721100 /nfs/dbraw/zinc/72/11/00/1039721100.db2.gz RGUCWHDWXUQVBN-KRWDZBQOSA-N 0 3 333.435 4.311 20 30 EIEDHN CC[C@@H](CN(CC)[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481730771 1039795133 /nfs/dbraw/zinc/79/51/33/1039795133.db2.gz DHGGJDPMMCLOEY-MSOLQXFVSA-N 0 3 349.478 4.401 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000442675458 1039845618 /nfs/dbraw/zinc/84/56/18/1039845618.db2.gz YTHRIRBWEMXNIW-PGRDOPGGSA-N 0 3 334.463 4.343 20 30 EIEDHN COc1ccc(C[C@@H](C)CN(C)Cc2ccc(C#N)cc2F)cc1 ZINC000534903901 1039846321 /nfs/dbraw/zinc/84/63/21/1039846321.db2.gz HWXHXSZVKVIEKL-OAHLLOKOSA-N 0 3 326.415 4.017 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000552881378 1039856825 /nfs/dbraw/zinc/85/68/25/1039856825.db2.gz VAFXEWRBLKCDSP-UONOGXRCSA-N 0 3 333.435 4.200 20 30 EIEDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000425237229 1039912935 /nfs/dbraw/zinc/91/29/35/1039912935.db2.gz LCTJZBFTZCUMSC-AWEZNQCLSA-N 0 3 340.858 4.244 20 30 EIEDHN COCCSc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1 ZINC000539494585 1040471159 /nfs/dbraw/zinc/47/11/59/1040471159.db2.gz KZYRAWWYNVAJKO-ZDUSSCGKSA-N 0 3 332.494 4.209 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(-c2ccc(C)cc2)n1 ZINC000435746161 1040598791 /nfs/dbraw/zinc/59/87/91/1040598791.db2.gz UIDYFXZENQYOHI-WMZOPIPTSA-N 0 3 328.481 4.189 20 30 EIEDHN C=CCOc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cc1OC ZINC000539851464 1040841041 /nfs/dbraw/zinc/84/10/41/1040841041.db2.gz WGXLUWDRFZEFAF-LPHOPBHVSA-N 0 3 333.497 4.120 20 30 EIEDHN C=CC[C@H]1N(C(=O)Nc2cccc(CN(C)C)c2)CCCC1(C)C ZINC000436105192 1040874676 /nfs/dbraw/zinc/87/46/76/1040874676.db2.gz WXKBCOCXSKOQDW-GOSISDBHSA-N 0 3 329.488 4.347 20 30 EIEDHN C[C@H](Cc1ccc(O)cc1)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000483614865 1040911012 /nfs/dbraw/zinc/91/10/12/1040911012.db2.gz OSIFDESOZHANKI-OAHLLOKOSA-N 0 3 347.380 4.326 20 30 EIEDHN Clc1ccccc1C#CCN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000538233598 1041204651 /nfs/dbraw/zinc/20/46/51/1041204651.db2.gz UVVPODYILXAUPK-DYESRHJHSA-N 0 3 339.866 4.449 20 30 EIEDHN C=CC[C@@H](C)[C@@H](C)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540167473 1041209359 /nfs/dbraw/zinc/20/93/59/1041209359.db2.gz ZMOVNBXJRHPALD-NXEZZACHSA-N 0 3 346.784 4.092 20 30 EIEDHN N#Cc1ccccc1-c1ccc(CN(CCO)Cc2ccccc2)cc1 ZINC000505853263 1041387705 /nfs/dbraw/zinc/38/77/05/1041387705.db2.gz JPNDNAJRJLBWEV-UHFFFAOYSA-N 0 3 342.442 4.220 20 30 EIEDHN CC1CCC(Oc2cc(CN[C@H]3CCC[C@@H](C#N)C3)ccn2)CC1 ZINC000463235582 1041442306 /nfs/dbraw/zinc/44/23/06/1041442306.db2.gz GYXXXUFXPRGDFY-YDXUJSMASA-N 0 3 327.472 4.211 20 30 EIEDHN CC(C)CCSCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000128914560 1041448762 /nfs/dbraw/zinc/44/87/62/1041448762.db2.gz JQYHTEVFMZINIA-AWEZNQCLSA-N 0 3 345.493 4.161 20 30 EIEDHN C[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1cccc(C#N)c1 ZINC000540594693 1041551083 /nfs/dbraw/zinc/55/10/83/1041551083.db2.gz XQLVQBIZZXTSSM-ZDUSSCGKSA-N 0 3 342.826 4.224 20 30 EIEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000540705455 1041605191 /nfs/dbraw/zinc/60/51/91/1041605191.db2.gz GMXKEPIPZPOKOF-XIKOKIGWSA-N 0 3 332.806 4.389 20 30 EIEDHN N#Cc1csc(CNCC2(Cc3ccccc3)CCCCC2)n1 ZINC000516606515 1041664223 /nfs/dbraw/zinc/66/42/23/1041664223.db2.gz LJLXMGUWSVYHNM-UHFFFAOYSA-N 0 3 325.481 4.298 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1 ZINC000541090868 1041807153 /nfs/dbraw/zinc/80/71/53/1041807153.db2.gz XYGAKVYNPMDPGH-INIZCTEOSA-N 0 3 343.430 4.480 20 30 EIEDHN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2ccc(OC)c(C#N)c2)c1 ZINC000541322952 1041893193 /nfs/dbraw/zinc/89/31/93/1041893193.db2.gz XWHHRNJAXGNXJD-QRWLVFNGSA-N 0 3 336.435 4.159 20 30 EIEDHN CCN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542005374 1042227517 /nfs/dbraw/zinc/22/75/17/1042227517.db2.gz IYRVAYHTXXWBKG-SJORKVTESA-N 0 3 349.478 4.133 20 30 EIEDHN Cc1oc(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C)c(C#N)c1C ZINC000438718636 1042316766 /nfs/dbraw/zinc/31/67/66/1042316766.db2.gz BBPSNTNBOJORHM-GOSISDBHSA-N 0 3 339.439 4.084 20 30 EIEDHN FC(F)(F)CCON=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842532039 1042515421 /nfs/dbraw/zinc/51/54/21/1042515421.db2.gz VRNBPJPLWXDZCB-UHFFFAOYSA-N 0 3 326.362 4.140 20 30 EIEDHN N#Cc1ccc(CN(C/C=C/c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000506552265 1042591221 /nfs/dbraw/zinc/59/12/21/1042591221.db2.gz DWBZOFREFGFETH-HWKANZROSA-N 0 3 333.391 4.144 20 30 EIEDHN CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000271975866 1042603623 /nfs/dbraw/zinc/60/36/23/1042603623.db2.gz XYCRFIGRCGSVLI-ACJLOTCBSA-N 0 3 340.398 4.270 20 30 EIEDHN COc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439433559 1042622156 /nfs/dbraw/zinc/62/21/56/1042622156.db2.gz ALMARIZJZOJTEO-HNNXBMFYSA-N 0 3 326.827 4.210 20 30 EIEDHN C=CCCC[C@H](C)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439456685 1042638698 /nfs/dbraw/zinc/63/86/98/1042638698.db2.gz ZEOFWZZTPLNLRB-SWLSCSKDSA-N 0 3 338.377 4.247 20 30 EIEDHN Clc1ccc(C#CCN2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000426437345 1042701096 /nfs/dbraw/zinc/70/10/96/1042701096.db2.gz WPIDVRNLRNEKKS-FQEVSTJZSA-N 0 3 339.866 4.230 20 30 EIEDHN Cc1cc(CNCc2ccc(Br)c(F)c2)ccc1C#N ZINC000443967643 1042704232 /nfs/dbraw/zinc/70/42/32/1042704232.db2.gz OWBNKOCEUIFJCA-UHFFFAOYSA-N 0 3 333.204 4.058 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccc(CCC(C)C)cc2)CC1 ZINC000520745137 1043059553 /nfs/dbraw/zinc/05/95/53/1043059553.db2.gz XGMNKPKQVUBPND-UHFFFAOYSA-N 0 3 329.488 4.047 20 30 EIEDHN N#Cc1cccc(OC2CCN(Cc3ccc4ncccc4c3)CC2)c1 ZINC000120940531 1043090281 /nfs/dbraw/zinc/09/02/81/1043090281.db2.gz DCZZGUFARUCUMA-UHFFFAOYSA-N 0 3 343.430 4.150 20 30 EIEDHN N#Cc1ccc(OC2CCN(Cc3ccc4occc4c3)CC2)cc1 ZINC000347825652 1043135023 /nfs/dbraw/zinc/13/50/23/1043135023.db2.gz WHYRAXIZGUZMHE-UHFFFAOYSA-N 0 3 332.403 4.348 20 30 EIEDHN C[C@@H](CN(C)Cn1ccc(-c2ccc(C#N)cc2)n1)c1ccccc1 ZINC000727427959 1043220964 /nfs/dbraw/zinc/22/09/64/1043220964.db2.gz KYBMAOAULWFFMD-KRWDZBQOSA-N 0 3 330.435 4.115 20 30 EIEDHN CCS[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)C ZINC000730421548 1043512998 /nfs/dbraw/zinc/51/29/98/1043512998.db2.gz KGNQQGFFJRISRN-XHDPSFHLSA-N 0 3 336.457 4.389 20 30 EIEDHN CC(C)N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000731029638 1043679864 /nfs/dbraw/zinc/67/98/64/1043679864.db2.gz AETCTXVGNDPISI-HNNXBMFYSA-N 0 3 341.480 4.126 20 30 EIEDHN Cc1c([C@H](C)NCc2ccc(CC#N)cc2)cnn1-c1ccc(F)cc1 ZINC000347691491 1043815157 /nfs/dbraw/zinc/81/51/57/1043815157.db2.gz ZXNRWNBCTMEUCS-HNNXBMFYSA-N 0 3 348.425 4.237 20 30 EIEDHN CO[C@@H](c1ccccc1)[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000494622082 1043859538 /nfs/dbraw/zinc/85/95/38/1043859538.db2.gz SQXBIROJBAIBRV-DNVCBOLYSA-N 0 3 347.380 4.423 20 30 EIEDHN CCCN(Cc1ccc(C#N)c(OC)c1)[C@H]1CCCc2cccnc21 ZINC000442854395 1043875229 /nfs/dbraw/zinc/87/52/29/1043875229.db2.gz NVTWVTDWXUDEJS-IBGZPJMESA-N 0 3 335.451 4.251 20 30 EIEDHN Cn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(C2CCCC2)n1 ZINC000922191422 1044078307 /nfs/dbraw/zinc/07/83/07/1044078307.db2.gz VHQTTZKPLAKCKT-HXUWFJFHSA-N 0 3 334.467 4.117 20 30 EIEDHN Oc1ccccc1/C=N\[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903384 1044411313 /nfs/dbraw/zinc/41/13/13/1044411313.db2.gz MMWHHAUEPPCLEB-CMBCABCVSA-N 0 3 348.368 4.104 20 30 EIEDHN Oc1ccccc1/C=N\[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903614 1044412327 /nfs/dbraw/zinc/41/23/27/1044412327.db2.gz MMWHHAUEPPCLEB-OYPWENPISA-N 0 3 348.368 4.104 20 30 EIEDHN C=C[C@H](C)N[C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000675934457 1044577472 /nfs/dbraw/zinc/57/74/72/1044577472.db2.gz ZQXCOYCFHXEIQL-QWHCGFSZSA-N 0 3 346.496 4.285 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCCCC)C(C)(C)C)CC1 ZINC000734531270 1044600422 /nfs/dbraw/zinc/60/04/22/1044600422.db2.gz ZUYVWKXGDLFMJW-GOSISDBHSA-N 0 3 337.552 4.321 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000118393521 1044667196 /nfs/dbraw/zinc/66/71/96/1044667196.db2.gz WPKUMHGSXDVBQS-AWEZNQCLSA-N 0 3 342.389 4.441 20 30 EIEDHN Cn1cc(CN[C@H]2CCCc3sccc32)c(-c2ccc(C#N)cc2)n1 ZINC000123712897 1044761447 /nfs/dbraw/zinc/76/14/47/1044761447.db2.gz NKDQMMSGAXOYFM-SFHVURJKSA-N 0 3 348.475 4.187 20 30 EIEDHN CC(C)N(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)c1ccccc1 ZINC000428879577 1044814462 /nfs/dbraw/zinc/81/44/62/1044814462.db2.gz HMASMXODXMENPA-SFHVURJKSA-N 0 3 341.499 4.143 20 30 EIEDHN C=CCCC[C@@H](NCc1cccn(C(F)F)c1=O)c1ccccc1 ZINC000895637049 1044835270 /nfs/dbraw/zinc/83/52/70/1044835270.db2.gz CZAIJJNLKNHDAI-QGZVFWFLSA-N 0 3 332.394 4.431 20 30 EIEDHN C=CCC1(O)CCN(Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000895835614 1044929013 /nfs/dbraw/zinc/92/90/13/1044929013.db2.gz IVNJERYOSZIKAL-UHFFFAOYSA-N 0 3 338.451 4.085 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000303282285 1044976227 /nfs/dbraw/zinc/97/62/27/1044976227.db2.gz FPHBUCFBDQEFIV-IBGZPJMESA-N 0 3 343.515 4.114 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)c2cccc(Cl)c2)c([O-])c1 ZINC000915115055 1045114932 /nfs/dbraw/zinc/11/49/32/1045114932.db2.gz UOGZLJQNVACBKK-GFIJVFARSA-N 0 3 346.858 4.044 20 30 EIEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000739144838 1045124251 /nfs/dbraw/zinc/12/42/51/1045124251.db2.gz XZZUAHPKYWJLRT-QFBILLFUSA-N 0 3 342.483 4.319 20 30 EIEDHN CSc1cc(C)ccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000153544302 1045233178 /nfs/dbraw/zinc/23/31/78/1045233178.db2.gz IAHIDVRWODYSLJ-UHFFFAOYSA-N 0 3 339.508 4.357 20 30 EIEDHN CN(C)Cc1cccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1 ZINC000611094137 1045252153 /nfs/dbraw/zinc/25/21/53/1045252153.db2.gz BKYVKBBWZPETGL-UHFFFAOYSA-N 0 3 348.233 4.179 20 30 EIEDHN Cc1ccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)s1 ZINC000611158473 1045256972 /nfs/dbraw/zinc/25/69/72/1045256972.db2.gz YRMCMUPFOBZXLX-JTQLQIEISA-N 0 3 331.397 4.051 20 30 EIEDHN Cc1oc2ccccc2c1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000767955147 1045691048 /nfs/dbraw/zinc/69/10/48/1045691048.db2.gz CUGWAKGLOCFOAU-OAHLLOKOSA-N 0 3 330.343 4.301 20 30 EIEDHN CN(C)c1ccc(C2CCN(Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000792285935 1045884424 /nfs/dbraw/zinc/88/44/24/1045884424.db2.gz MUCSFDBWJZHJTR-UHFFFAOYSA-N 0 3 337.442 4.143 20 30 EIEDHN CC(C)CN(Cc1cccc(C#N)c1F)C[C@@H](O)c1ccc(F)cc1 ZINC000769165036 1045889205 /nfs/dbraw/zinc/88/92/05/1045889205.db2.gz XLJKYNSWNRGJEF-LJQANCHMSA-N 0 3 344.405 4.028 20 30 EIEDHN C#CCOc1ccc(CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000769216962 1045895762 /nfs/dbraw/zinc/89/57/62/1045895762.db2.gz GPEPZMGJISGRKF-UHFFFAOYSA-N 0 3 327.468 4.012 20 30 EIEDHN N#CC1(c2ccccc2)CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001170395710 1046028749 /nfs/dbraw/zinc/02/87/49/1046028749.db2.gz NBLOPCHWYIGDQO-UHFFFAOYSA-N 0 3 332.447 4.154 20 30 EIEDHN N#CC1(c2ccccc2)CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001170395710 1046028755 /nfs/dbraw/zinc/02/87/55/1046028755.db2.gz NBLOPCHWYIGDQO-UHFFFAOYSA-N 0 3 332.447 4.154 20 30 EIEDHN Cc1cc(CNC2(c3cccc(Br)c3)CC2)ccc1C#N ZINC000488156569 1046170538 /nfs/dbraw/zinc/17/05/38/1046170538.db2.gz BCEGPAXIZCPGJE-UHFFFAOYSA-N 0 3 341.252 4.408 20 30 EIEDHN COc1ccc2c(c1)C[C@@H](N(CCC#N)C1CCCCCCC1)C2 ZINC001168275643 1046273671 /nfs/dbraw/zinc/27/36/71/1046273671.db2.gz YTZXNOCMWLGLLI-FQEVSTJZSA-N 0 3 326.484 4.491 20 30 EIEDHN COc1ccc([C@@H](C)NCCSCc2ccccc2C#N)c(F)c1 ZINC000536855723 1046841726 /nfs/dbraw/zinc/84/17/26/1046841726.db2.gz BKYIEHZFVCOKCS-CQSZACIVSA-N 0 3 344.455 4.290 20 30 EIEDHN CC(C)(CC#N)CNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000459684499 1046856806 /nfs/dbraw/zinc/85/68/06/1046856806.db2.gz DCPBCWRLPHYQRJ-UHFFFAOYSA-N 0 3 343.858 4.343 20 30 EIEDHN C=CCCCCCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000805220847 1046869028 /nfs/dbraw/zinc/86/90/28/1046869028.db2.gz HLIXRZWREHNOKM-UHFFFAOYSA-N 0 3 328.456 4.361 20 30 EIEDHN CC(C)(CC#N)CNCc1cccc(Br)c1OC(F)F ZINC000459737117 1046875972 /nfs/dbraw/zinc/87/59/72/1046875972.db2.gz VQHVADVHDWMQEB-UHFFFAOYSA-N 0 3 347.203 4.080 20 30 EIEDHN COc1ccc(C[C@H]2CCCN(CC#Cc3ccc(F)cc3)C2)cc1 ZINC001170481336 1046894559 /nfs/dbraw/zinc/89/45/59/1046894559.db2.gz SBPWDHHQOMQVBH-HXUWFJFHSA-N 0 3 337.438 4.141 20 30 EIEDHN Cc1cccc([C@@H](NCC(=O)NC2(C#N)CCCCC2)C(C)(C)C)c1 ZINC000537135154 1046977221 /nfs/dbraw/zinc/97/72/21/1046977221.db2.gz JGAPVCHNSPOCSP-LJQANCHMSA-N 0 3 341.499 4.015 20 30 EIEDHN C[C@@H]1c2ccccc2CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000746669400 1046979699 /nfs/dbraw/zinc/97/96/99/1046979699.db2.gz CONHDCIAHKNVQJ-CJNGLKHVSA-N 0 3 347.443 4.049 20 30 EIEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2ncccc2Cl)ccc1[O-] ZINC000917549073 1046983465 /nfs/dbraw/zinc/98/34/65/1046983465.db2.gz IDKXHOYWXJZVAV-UHFFFAOYSA-N 0 3 346.862 4.119 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420475 1047002977 /nfs/dbraw/zinc/00/29/77/1047002977.db2.gz HQFWLIYABNZAME-WFASDCNBSA-N 0 3 326.362 4.140 20 30 EIEDHN N#CCCCCCC(=O)OC[C@H]1CCCCN1Cc1ccccc1 ZINC000805962977 1047073372 /nfs/dbraw/zinc/07/33/72/1047073372.db2.gz PIASEQOAKBUWJO-LJQANCHMSA-N 0 3 328.456 4.058 20 30 EIEDHN N#Cc1ccc(CNCCSCc2ccc(Cl)cc2Cl)o1 ZINC000537350964 1047140890 /nfs/dbraw/zinc/14/08/90/1047140890.db2.gz DCTZUUYLFRSIKD-UHFFFAOYSA-N 0 3 341.263 4.481 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000788641290 1047257701 /nfs/dbraw/zinc/25/77/01/1047257701.db2.gz CQDWWWZTSZVLTN-JXFKEZNVSA-N 0 3 336.435 4.240 20 30 EIEDHN C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc[nH]1 ZINC000760446793 1047373664 /nfs/dbraw/zinc/37/36/64/1047373664.db2.gz WKDSVGOFQIUICM-INIZCTEOSA-N 0 3 331.419 4.316 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000747362271 1047385388 /nfs/dbraw/zinc/38/53/88/1047385388.db2.gz VPBDTIRTMVARAX-XLTHYULKSA-N 0 3 348.899 4.438 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747362271 1047385401 /nfs/dbraw/zinc/38/54/01/1047385401.db2.gz VPBDTIRTMVARAX-XLTHYULKSA-N 0 3 348.899 4.438 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2C)C(C)C)CC1 ZINC000069937385 1047513099 /nfs/dbraw/zinc/51/30/99/1047513099.db2.gz JOXOZSFRZUCCBJ-FQEVSTJZSA-N 0 3 343.515 4.032 20 30 EIEDHN CC(C)CN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000170984241 1047602005 /nfs/dbraw/zinc/60/20/05/1047602005.db2.gz DASVJGRLEDODQL-INIZCTEOSA-N 0 3 347.528 4.243 20 30 EIEDHN C=C(C)COc1cc(CNCc2cccc(N(C)C)c2)ccc1OC ZINC000105434407 1047632118 /nfs/dbraw/zinc/63/21/18/1047632118.db2.gz YTKLZNCWEKKDAR-UHFFFAOYSA-N 0 3 340.467 4.006 20 30 EIEDHN CC(C)(CCC#N)CNCc1cnn(Cc2ccccc2)c1Cl ZINC000808429979 1047940121 /nfs/dbraw/zinc/94/01/21/1047940121.db2.gz ROHUEDOYKQJMNB-UHFFFAOYSA-N 0 3 330.863 4.004 20 30 EIEDHN C#Cc1cccc(CNCc2cc(Cl)c(OC)c(OCC)c2)c1 ZINC000825226811 1048052342 /nfs/dbraw/zinc/05/23/42/1048052342.db2.gz MQMKDKZOWGEADZ-UHFFFAOYSA-N 0 3 329.827 4.018 20 30 EIEDHN Cc1ccc(CN[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1C#N ZINC001170573078 1048252216 /nfs/dbraw/zinc/25/22/16/1048252216.db2.gz QRJRSSFTUBPYPA-HNNXBMFYSA-N 0 3 334.398 4.042 20 30 EIEDHN N#CCCC[C@H](NCc1ccnc(Br)c1)c1ccccc1 ZINC000815123884 1048338953 /nfs/dbraw/zinc/33/89/53/1048338953.db2.gz QVNNNZWPYGNMSR-INIZCTEOSA-N 0 3 344.256 4.369 20 30 EIEDHN C=CC[C@@H](C)C(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC001144020902 1048368665 /nfs/dbraw/zinc/36/86/65/1048368665.db2.gz JFBZVRVVDPLPIL-VQIMIIECSA-N 0 3 334.463 4.415 20 30 EIEDHN C#Cc1ccc(CN[C@H](C)c2ccc(OC)c(Br)c2)cc1 ZINC000809603044 1048437198 /nfs/dbraw/zinc/43/71/98/1048437198.db2.gz HYTHTRQWMMXWEV-CYBMUJFWSA-N 0 3 344.252 4.290 20 30 EIEDHN C#C[C@@H](CC)NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000809685916 1048472540 /nfs/dbraw/zinc/47/25/40/1048472540.db2.gz ZLHCSXOOUPCHNK-KRWDZBQOSA-N 0 3 326.827 4.094 20 30 EIEDHN C#C[C@H](CC)NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000809686156 1048474151 /nfs/dbraw/zinc/47/41/51/1048474151.db2.gz VYIGLJBFPJSOAC-OAHLLOKOSA-N 0 3 326.827 4.094 20 30 EIEDHN C#CCSCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815594355 1048527094 /nfs/dbraw/zinc/52/70/94/1048527094.db2.gz MSCQRSLFSXVMQP-LJQANCHMSA-N 0 3 325.477 4.022 20 30 EIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810132016 1048641075 /nfs/dbraw/zinc/64/10/75/1048641075.db2.gz HWIMFKYAVBFVQV-QGZVFWFLSA-N 0 3 347.462 4.120 20 30 EIEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H](CC)CCCCCC ZINC001170598771 1048651605 /nfs/dbraw/zinc/65/16/05/1048651605.db2.gz JKGLEDMBMMYTIE-PKOBYXMFSA-N 0 3 333.520 4.271 20 30 EIEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@@H](CC)CCCCCC ZINC001170598764 1048652152 /nfs/dbraw/zinc/65/21/52/1048652152.db2.gz JKGLEDMBMMYTIE-HKUYNNGSSA-N 0 3 333.520 4.271 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)NCc1c(F)cccc1Br ZINC001171202256 1048759670 /nfs/dbraw/zinc/75/96/70/1048759670.db2.gz YMSYTNHAKLTPNX-GFCCVEGCSA-N 0 3 347.231 4.181 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccc(Cl)c(F)c3)nc21 ZINC000810590635 1048824454 /nfs/dbraw/zinc/82/44/54/1048824454.db2.gz RAIKPLLOFFTAPD-GFCCVEGCSA-N 0 3 341.773 4.083 20 30 EIEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000218034695 1048837236 /nfs/dbraw/zinc/83/72/36/1048837236.db2.gz ZSEZFNQRSCHRJM-RHSMWYFYSA-N 0 3 347.890 4.112 20 30 EIEDHN O[C@H](C[C@@H]1CCCCCN1CC#Cc1ccc(F)cc1)c1ccco1 ZINC000747660869 1048899711 /nfs/dbraw/zinc/89/97/11/1048899711.db2.gz WGISLZMUVFTUKR-VQTJNVASSA-N 0 3 341.426 4.139 20 30 EIEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCOc3c(CC)cccc32)cc1 ZINC000772960047 1048996913 /nfs/dbraw/zinc/99/69/13/1048996913.db2.gz QFZVJKHFLDTZJX-KKSFZXQISA-N 0 3 335.447 4.435 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\CCCOC2CCCCC2)c([O-])c1 ZINC000747713208 1049058314 /nfs/dbraw/zinc/05/83/14/1049058314.db2.gz QIVFGOJAECBZGY-PGMHBOJBSA-N 0 3 332.488 4.397 20 30 EIEDHN CCC[C@@H](C)[C@@H]1CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000135345654 1049127528 /nfs/dbraw/zinc/12/75/28/1049127528.db2.gz WRAYENQMRQUXJY-WBVHZDCISA-N 0 3 345.512 4.141 20 30 EIEDHN CC(C)[C@@H]1CCCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000609772197 1049311961 /nfs/dbraw/zinc/31/19/61/1049311961.db2.gz ZEGLMLZWDCJUCV-SFHVURJKSA-N 0 3 347.890 4.097 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2cccc(-c3ccncc3)c2)cc1C#N ZINC000773074624 1049565014 /nfs/dbraw/zinc/56/50/14/1049565014.db2.gz GWYHCIAPWKZECV-INIZCTEOSA-N 0 3 343.430 4.480 20 30 EIEDHN C#CC[C@H](N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000773104893 1049584173 /nfs/dbraw/zinc/58/41/73/1049584173.db2.gz GQVLRLJFDTWMFY-BEFAXECRSA-N 0 3 332.447 4.332 20 30 EIEDHN C#C[C@H](N[C@H](C)[C@H](C)c1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000812791937 1049590673 /nfs/dbraw/zinc/59/06/73/1049590673.db2.gz DURBEAPTATXNKQ-KHYOSLBOSA-N 0 3 341.426 4.299 20 30 EIEDHN CCN(CC#Cc1ccc(Cl)cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812853332 1049615825 /nfs/dbraw/zinc/61/58/25/1049615825.db2.gz DANIBDFGYIEYEC-UZLBHIALSA-N 0 3 327.855 4.136 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000237604823 1049659347 /nfs/dbraw/zinc/65/93/47/1049659347.db2.gz JIBKYYPMMYZWJN-FZKQIMNGSA-N 0 3 342.439 4.443 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cc(F)ccc1Br ZINC001172303107 1049873812 /nfs/dbraw/zinc/87/38/12/1049873812.db2.gz VMOODZXWRLRGMS-LBPRGKRZSA-N 0 3 347.231 4.181 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC001172310003 1049874621 /nfs/dbraw/zinc/87/46/21/1049874621.db2.gz ZFOAQLDOJNJPBH-MBSDFSHPSA-N 0 3 341.458 4.396 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2csc(C)c2)ccc1OC ZINC000823847296 1049881341 /nfs/dbraw/zinc/88/13/41/1049881341.db2.gz KUYAKZHALVGCOL-MRXNPFEDSA-N 0 3 330.453 4.036 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1ccc(F)cc1Br ZINC001172298059 1049882918 /nfs/dbraw/zinc/88/29/18/1049882918.db2.gz UNZBUSACSGNLGF-LBPRGKRZSA-N 0 3 347.231 4.181 20 30 EIEDHN C[C@H](CCCC#N)N[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC001172490628 1049920626 /nfs/dbraw/zinc/92/06/26/1049920626.db2.gz JGAQMXVDNPAIIR-UZLBHIALSA-N 0 3 332.451 4.335 20 30 EIEDHN C[C@H](CCCC#N)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001172499319 1049922662 /nfs/dbraw/zinc/92/26/62/1049922662.db2.gz RCQGRPBHRAZZAZ-OAHLLOKOSA-N 0 3 334.423 4.076 20 30 EIEDHN C[C@@H](CCCC#N)N1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001172498334 1049923084 /nfs/dbraw/zinc/92/30/84/1049923084.db2.gz LQOQOOVYVPIFSB-ZDUSSCGKSA-N 0 3 326.271 4.198 20 30 EIEDHN C[C@H](CCCC#N)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC001172503940 1049924532 /nfs/dbraw/zinc/92/45/32/1049924532.db2.gz CTFYYBHHRAZMNS-CQSZACIVSA-N 0 3 340.298 4.193 20 30 EIEDHN C[C@@H](CCCC#N)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC001172506790 1049925269 /nfs/dbraw/zinc/92/52/69/1049925269.db2.gz JGOHICZNJKWJTB-AWEZNQCLSA-N 0 3 340.298 4.193 20 30 EIEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172560465 1049933547 /nfs/dbraw/zinc/93/35/47/1049933547.db2.gz IOVDNYZUAUNMDL-MLNNCEHLSA-N 0 3 341.495 4.149 20 30 EIEDHN C[C@H](CSc1ccc(Cl)cc1)N1CCC2SC(=O)C=C2C1 ZINC001172875734 1050217850 /nfs/dbraw/zinc/21/78/50/1050217850.db2.gz AYOQQYOQDGPWQO-IAQYHMDHSA-N 0 3 339.913 4.095 20 30 EIEDHN C[C@H](CSc1ccc(Cl)cc1)N1CC[C@H]2SC(=O)C=C2C1 ZINC001172875734 1050217867 /nfs/dbraw/zinc/21/78/67/1050217867.db2.gz AYOQQYOQDGPWQO-IAQYHMDHSA-N 0 3 339.913 4.095 20 30 EIEDHN C=C[C@@H](N[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001173065087 1050279064 /nfs/dbraw/zinc/27/90/64/1050279064.db2.gz UHHOFSNAFHGZMQ-RYQLBKOJSA-N 0 3 330.472 4.291 20 30 EIEDHN CCC[C@H]1CN(C2CCC(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173336662 1050424710 /nfs/dbraw/zinc/42/47/10/1050424710.db2.gz IHIIOGJRNSWWOE-ABHNRTSZSA-N 0 3 349.519 4.180 20 30 EIEDHN C=CCCOCCNCc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC001178412388 1050465560 /nfs/dbraw/zinc/46/55/60/1050465560.db2.gz ORIGVMDSUSSGCR-UHFFFAOYSA-N 0 3 341.499 4.161 20 30 EIEDHN CC(C)[C@H]1CN(c2cc(F)ccc2C#N)CCN1Cc1ccccc1 ZINC001187045946 1050467340 /nfs/dbraw/zinc/46/73/40/1050467340.db2.gz ZFRKLNYYWFJFHH-OAQYLSRUSA-N 0 3 337.442 4.044 20 30 EIEDHN CC1(C#N)CCC(N[C@@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001173588929 1050494530 /nfs/dbraw/zinc/49/45/30/1050494530.db2.gz NULILAGVXOWJLF-NRAUKZCXSA-N 0 3 327.255 4.089 20 30 EIEDHN C=C[C@H](COC)NCc1ccc(-c2ccccc2Br)cc1 ZINC001178536752 1050495740 /nfs/dbraw/zinc/49/57/40/1050495740.db2.gz BFERZFDIVKFRFU-MRXNPFEDSA-N 0 3 346.268 4.407 20 30 EIEDHN CCC[C@H]1CN(C2CCC(C)(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173600986 1050502934 /nfs/dbraw/zinc/50/29/34/1050502934.db2.gz MZIUUDJLVSZJCF-GNZRSQJKSA-N 0 3 349.519 4.180 20 30 EIEDHN CC[C@@H](CC#N)N[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173706710 1050551396 /nfs/dbraw/zinc/55/13/96/1050551396.db2.gz IOXQEHZIZBXIQZ-SFTDATJTSA-N 0 3 334.463 4.405 20 30 EIEDHN CN(C)Cc1ccccc1Nc1ccc(Br)c(F)c1C#N ZINC001173932517 1050653099 /nfs/dbraw/zinc/65/30/99/1050653099.db2.gz RFEUOWFYBWMIDO-UHFFFAOYSA-N 0 3 348.219 4.265 20 30 EIEDHN C=CCCC[C@@H](NCc1cc(C(=O)OC)c(C)n1C)c1ccccc1 ZINC001179457699 1050700473 /nfs/dbraw/zinc/70/04/73/1050700473.db2.gz JPSGDDCTSMNPIE-HXUWFJFHSA-N 0 3 340.467 4.307 20 30 EIEDHN C=CCOc1cccc(CN[C@@]2(CO)CC[C@@H](C)c3ccccc32)c1 ZINC001179789017 1050778276 /nfs/dbraw/zinc/77/82/76/1050778276.db2.gz LMGWTAXAQWOEQJ-VGOFRKELSA-N 0 3 337.463 4.126 20 30 EIEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCCO2 ZINC000619755514 1050883039 /nfs/dbraw/zinc/88/30/39/1050883039.db2.gz ZJAQSUZBSQBEJW-CYBMUJFWSA-N 0 3 342.826 4.224 20 30 EIEDHN C=CCO[C@H]1CCN(Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001180317476 1050949932 /nfs/dbraw/zinc/94/99/32/1050949932.db2.gz GNWGAHVFBDLCTH-FQEVSTJZSA-N 0 3 327.399 4.395 20 30 EIEDHN COc1cc(Nc2ccncc2C)c(C#N)cc1OCc1ccccc1 ZINC001174539258 1051032767 /nfs/dbraw/zinc/03/27/67/1051032767.db2.gz ZWZMXHWDIJOBKV-UHFFFAOYSA-N 0 3 345.402 4.015 20 30 EIEDHN C[C@@H](CC1CCCCC1)CN1CCN(c2ccccc2C#N)CC1 ZINC001180546308 1051035485 /nfs/dbraw/zinc/03/54/85/1051035485.db2.gz HEGVYNYMCXHYEV-SFHVURJKSA-N 0 3 325.500 4.287 20 30 EIEDHN CCCCCCC[C@H](C)NCc1cc(S(C)(=O)=O)ccc1F ZINC001181184305 1051172959 /nfs/dbraw/zinc/17/29/59/1051172959.db2.gz GKATZWFHXOLUEY-AWEZNQCLSA-N 0 3 329.481 4.068 20 30 EIEDHN C#CC[C@H](NCc1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 ZINC000775400443 1051227813 /nfs/dbraw/zinc/22/78/13/1051227813.db2.gz PJGGRXKHLXJZRG-QFIPXVFZSA-N 0 3 329.447 4.343 20 30 EIEDHN C#CCN(CCCC=C)[C@H]1CCOc2ccc(Br)cc21 ZINC001191038390 1051333498 /nfs/dbraw/zinc/33/34/98/1051333498.db2.gz JLRNVCNYRFACPY-INIZCTEOSA-N 0 3 334.257 4.174 20 30 EIEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC001191232120 1051404865 /nfs/dbraw/zinc/40/48/65/1051404865.db2.gz GFZPXHNFXUQYQH-NHCUHLMSSA-N 0 3 347.462 4.155 20 30 EIEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCC2(C1)CCCCCC2 ZINC001191350847 1051426906 /nfs/dbraw/zinc/42/69/06/1051426906.db2.gz SCYGYUGLCPVPNG-KRWDZBQOSA-N 0 3 339.483 4.322 20 30 EIEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCC2(C1)CCCCCC2 ZINC001191350850 1051427228 /nfs/dbraw/zinc/42/72/28/1051427228.db2.gz SCYGYUGLCPVPNG-QGZVFWFLSA-N 0 3 339.483 4.322 20 30 EIEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3ccccc3)n2)cc1 ZINC000155648462 1051442568 /nfs/dbraw/zinc/44/25/68/1051442568.db2.gz UKXBISLCEHJCLC-INIZCTEOSA-N 0 3 349.415 4.065 20 30 EIEDHN CC[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000774148820 1051482150 /nfs/dbraw/zinc/48/21/50/1051482150.db2.gz CUQQZZVGDROZHL-NRFANRHFSA-N 0 3 347.462 4.035 20 30 EIEDHN CCN(Cc1ccccc1)c1ccc(C=NOC2CCOCC2)cc1 ZINC000774444750 1051591897 /nfs/dbraw/zinc/59/18/97/1051591897.db2.gz OAEBTUDHLFRXJW-UHFFFAOYSA-N 0 3 338.451 4.243 20 30 EIEDHN CC(C)(O)C#Cc1cccc(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175506578 1051639094 /nfs/dbraw/zinc/63/90/94/1051639094.db2.gz HCOZNLUZYDQYKR-UHFFFAOYSA-N 0 3 346.474 4.011 20 30 EIEDHN N#Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)c2cccnc12 ZINC001175507554 1051639802 /nfs/dbraw/zinc/63/98/02/1051639802.db2.gz QYIMHMZAMKZIGG-UHFFFAOYSA-N 0 3 340.430 4.308 20 30 EIEDHN COc1ccc([C@@H](NCC#Cc2cccc(Cl)c2)C2CC2)cc1 ZINC001192585666 1051772517 /nfs/dbraw/zinc/77/25/17/1051772517.db2.gz ZDJMJBZWHSUIBD-FQEVSTJZSA-N 0 3 325.839 4.441 20 30 EIEDHN C=C(C)CN(CC)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000158992580 1051803353 /nfs/dbraw/zinc/80/33/53/1051803353.db2.gz YDMUHUDWASRJCW-UHFFFAOYSA-N 0 3 326.440 4.067 20 30 EIEDHN CC1(C)[C@H](c2cccc(Cl)c2)CCN1Cc1cncc(C#N)c1 ZINC001175873190 1051830566 /nfs/dbraw/zinc/83/05/66/1051830566.db2.gz NLXHPSMATVBRMI-SFHVURJKSA-N 0 3 325.843 4.375 20 30 EIEDHN CCCCCCCOC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC001193985999 1052042761 /nfs/dbraw/zinc/04/27/61/1052042761.db2.gz WKWNZQIRFNSVBR-UHFFFAOYSA-N 0 3 332.488 4.348 20 30 EIEDHN C#C[C@](C)(CC)NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC001194505817 1052162630 /nfs/dbraw/zinc/16/26/30/1052162630.db2.gz VLYUXGJXUOUPSP-JOCHJYFZSA-N 0 3 348.446 4.037 20 30 EIEDHN COc1ccc([C@@H](C)NCc2ccccc2C(C)(C)C#N)cc1F ZINC000182028418 1052910065 /nfs/dbraw/zinc/91/00/65/1052910065.db2.gz DBABDBJSGOASKA-CQSZACIVSA-N 0 3 326.415 4.486 20 30 EIEDHN COc1ccc([C@H](C)NCc2ccccc2C(C)(C)C#N)cc1F ZINC000182028402 1052910164 /nfs/dbraw/zinc/91/01/64/1052910164.db2.gz DBABDBJSGOASKA-AWEZNQCLSA-N 0 3 326.415 4.486 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)c2ccccc2)cc1 ZINC000119602612 1053075076 /nfs/dbraw/zinc/07/50/76/1053075076.db2.gz WWNCHMYDQMRKAR-IBGZPJMESA-N 0 3 348.446 4.264 20 30 EIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2ccc3c(c2)OCO3)cc1 ZINC000764526987 1053156071 /nfs/dbraw/zinc/15/60/71/1053156071.db2.gz LXPYTNIMCWMFLO-CQSZACIVSA-N 0 3 345.826 4.397 20 30 EIEDHN CC(C)(C)C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1(C)C ZINC001195064796 1053253418 /nfs/dbraw/zinc/25/34/18/1053253418.db2.gz MAVRDJMLDAYHAX-INIZCTEOSA-N 0 3 327.472 4.033 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3c(F)cccc3F)nc21 ZINC000764650832 1053257528 /nfs/dbraw/zinc/25/75/28/1053257528.db2.gz WXLXDKCBCSUVOY-NEPJUHHUSA-N 0 3 339.345 4.130 20 30 EIEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H](C)c3c(F)cccc3F)[nH]c21 ZINC000764650832 1053257559 /nfs/dbraw/zinc/25/75/59/1053257559.db2.gz WXLXDKCBCSUVOY-NEPJUHHUSA-N 0 3 339.345 4.130 20 30 EIEDHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001195277088 1053355684 /nfs/dbraw/zinc/35/56/84/1053355684.db2.gz DUYUGURMEQWQHA-DOTOQJQBSA-N 0 3 347.890 4.297 20 30 EIEDHN N#CC(C(=O)CC[C@@H]1CC1(Cl)Cl)c1nccc2ccccc21 ZINC000850985167 1053396734 /nfs/dbraw/zinc/39/67/34/1053396734.db2.gz GDCDRDLFEBMGQL-TZMCWYRMSA-N 0 3 333.218 4.385 20 30 EIEDHN C[C@@H](CC(C)(C)C#N)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000851204323 1053437665 /nfs/dbraw/zinc/43/76/65/1053437665.db2.gz OPPVGOPIEQSDNM-KRWDZBQOSA-N 0 3 342.483 4.160 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000853094295 1053642297 /nfs/dbraw/zinc/64/22/97/1053642297.db2.gz APTUSFYPQHEARQ-HOTGVXAUSA-N 0 3 336.435 4.153 20 30 EIEDHN Cc1cc(N(C)C)ccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000776766051 1053861221 /nfs/dbraw/zinc/86/12/21/1053861221.db2.gz PHAORSQSPXEZLE-UHFFFAOYSA-N 0 3 348.494 4.009 20 30 EIEDHN C#CCOc1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000113317186 1053918782 /nfs/dbraw/zinc/91/87/82/1053918782.db2.gz SYMMMVGASVPWPX-GOSISDBHSA-N 0 3 327.424 4.164 20 30 EIEDHN C[C@@H](NCCCSCC#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856779516 1054109470 /nfs/dbraw/zinc/10/94/70/1054109470.db2.gz XVWHXPGLQLIVRM-SECBINFHSA-N 0 3 337.798 4.051 20 30 EIEDHN N#CC(C(=O)Nc1ccccc1Cl)c1nc2ccccc2s1 ZINC000338623727 1054254072 /nfs/dbraw/zinc/25/40/72/1054254072.db2.gz CHQHLTSFQONMSB-SNVBAGLBSA-N 0 3 327.796 4.196 20 30 EIEDHN N#CCOc1ccc(Cl)cc1CN[C@@H](c1ccccc1)C1CC1 ZINC000776016655 1054449418 /nfs/dbraw/zinc/44/94/18/1054449418.db2.gz QTRBBIHMTGMSPH-IBGZPJMESA-N 0 3 326.827 4.483 20 30 EIEDHN COc1ccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)cc1C#N ZINC000858382690 1054478757 /nfs/dbraw/zinc/47/87/57/1054478757.db2.gz KMABIYBCNYVIOA-KRWDZBQOSA-N 0 3 330.790 4.136 20 30 EIEDHN Cc1sc(CNCc2ccc(CC#N)cc2)cc1Br ZINC000873134023 1054490972 /nfs/dbraw/zinc/49/09/72/1054490972.db2.gz MIQGHPSHZLKZTK-UHFFFAOYSA-N 0 3 335.270 4.175 20 30 EIEDHN C=CCc1cc(CNCc2ccc(OCC)cc2)cc(OC)c1OC ZINC000105478323 1054525965 /nfs/dbraw/zinc/52/59/65/1054525965.db2.gz CEZZCEWPAQNADQ-UHFFFAOYSA-N 0 3 341.451 4.121 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000124932704 1054648441 /nfs/dbraw/zinc/64/84/41/1054648441.db2.gz REBXQHBSFJUZCK-KBPBESRZSA-N 0 3 330.378 4.449 20 30 EIEDHN N#CCOc1ccc(CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000859416726 1054673792 /nfs/dbraw/zinc/67/37/92/1054673792.db2.gz UHLPAOWQQPZDRH-QGZVFWFLSA-N 0 3 342.389 4.247 20 30 EIEDHN COc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(C#N)c1 ZINC001201474806 1054826877 /nfs/dbraw/zinc/82/68/77/1054826877.db2.gz LMMUCCYJTHEWAR-UXHICEINSA-N 0 3 345.446 4.300 20 30 EIEDHN COc1ccc(C#N)cc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201478099 1054831198 /nfs/dbraw/zinc/83/11/98/1054831198.db2.gz VQBWMKHEOMREMU-UXHICEINSA-N 0 3 345.446 4.300 20 30 EIEDHN CCCCCCCCN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001201814406 1054911730 /nfs/dbraw/zinc/91/17/30/1054911730.db2.gz OYYTUTCZTJLAMK-IBGZPJMESA-N 0 3 333.520 4.102 20 30 EIEDHN N#CC(C(=O)c1ccc(C(F)(F)F)s1)c1nc2ccccc2[nH]1 ZINC000671745207 1054913247 /nfs/dbraw/zinc/91/32/47/1054913247.db2.gz BOMDKMMNUSTGTN-QMMMGPOBSA-N 0 3 335.310 4.133 20 30 EIEDHN CCCCCCCCCCN1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001201874800 1054940784 /nfs/dbraw/zinc/94/07/84/1054940784.db2.gz GXRBTLUHPJEALH-IBGZPJMESA-N 0 3 335.536 4.497 20 30 EIEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000876639467 1054942899 /nfs/dbraw/zinc/94/28/99/1054942899.db2.gz FOBJXRWHWBRIIR-QMMMGPOBSA-N 0 3 341.210 4.063 20 30 EIEDHN C#CCCCCCCN[C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000877148424 1055027831 /nfs/dbraw/zinc/02/78/31/1055027831.db2.gz KFKBFYYSAQDJRQ-QGZVFWFLSA-N 0 3 326.444 4.002 20 30 EIEDHN Cc1ccc(Oc2cccc(NC(=O)[C@H](N)CCCC#N)c2)c(C)c1 ZINC000877233794 1055036477 /nfs/dbraw/zinc/03/64/77/1055036477.db2.gz JSNJAEZLLBCYJX-GOSISDBHSA-N 0 3 337.423 4.055 20 30 EIEDHN COC(=O)CCCN(Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001202252191 1055096823 /nfs/dbraw/zinc/09/68/23/1055096823.db2.gz DDIQNEVIBFCOTD-QGZVFWFLSA-N 0 3 336.435 4.075 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(C)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000877902892 1055149478 /nfs/dbraw/zinc/14/94/78/1055149478.db2.gz HVKCIQFAWDGFHB-PKTZIBPZSA-N 0 3 346.474 4.436 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(C)[C@H](C)c1ccccc1C)c1ccccc1 ZINC000877987257 1055169084 /nfs/dbraw/zinc/16/90/84/1055169084.db2.gz CJHHKEKLIHNBPN-XMSQKQJNSA-N 0 3 334.463 4.429 20 30 EIEDHN C#Cc1ccc(CN[C@@H]2CCc3c2ccc(F)c3Br)cc1 ZINC001202467142 1055183326 /nfs/dbraw/zinc/18/33/26/1055183326.db2.gz VFZQJTNCEBROFN-QGZVFWFLSA-N 0 3 344.227 4.347 20 30 EIEDHN C#CCCCCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000878249997 1055222300 /nfs/dbraw/zinc/22/23/00/1055222300.db2.gz WOODZFZICQFTKK-INIZCTEOSA-N 0 3 325.456 4.130 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(C)[C@@H](C)Cc1ccccc1C)c1ccccc1 ZINC000878520014 1055332687 /nfs/dbraw/zinc/33/26/87/1055332687.db2.gz FKRDUFXQSDCBMN-CVDCTZTESA-N 0 3 348.490 4.299 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000878649129 1055366364 /nfs/dbraw/zinc/36/63/64/1055366364.db2.gz XKKCMJWVRQGJTD-GMAHTHKFSA-N 0 3 346.474 4.307 20 30 EIEDHN C=C(C)COCCN[C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000090451168 1055518273 /nfs/dbraw/zinc/51/82/73/1055518273.db2.gz UETSNUCACRIEJG-OAHLLOKOSA-N 0 3 330.497 4.286 20 30 EIEDHN C[C@@H](c1ccccc1)N1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000301319099 1055919514 /nfs/dbraw/zinc/91/95/14/1055919514.db2.gz QMVMCEMWINDJAX-LBPRGKRZSA-N 0 3 346.887 4.306 20 30 EIEDHN CN(C)[C@@H](CNc1ccc(C(F)(F)F)cc1C#N)c1cccs1 ZINC000301456455 1055939488 /nfs/dbraw/zinc/93/94/88/1055939488.db2.gz CDUPXQPVPCOGDD-AWEZNQCLSA-N 0 3 339.386 4.353 20 30 EIEDHN CN(C)[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)c1cccs1 ZINC000301714352 1055972069 /nfs/dbraw/zinc/97/20/69/1055972069.db2.gz JFHBGVYQUNVIIX-AWEZNQCLSA-N 0 3 339.386 4.353 20 30 EIEDHN CCc1ccc([C@H](CNc2cc(C(C)=O)ccc2C#N)N(C)C)cc1 ZINC000302008877 1056007222 /nfs/dbraw/zinc/00/72/22/1056007222.db2.gz BOUQYZBQRFDWSA-NRFANRHFSA-N 0 3 335.451 4.038 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000302085577 1056014778 /nfs/dbraw/zinc/01/47/78/1056014778.db2.gz DVUHPMWHLFOFBG-OXJNMPFZSA-N 0 3 347.462 4.226 20 30 EIEDHN COc1ccc(CN2CCC(CC#N)CC2)cc1OCCC(C)C ZINC000542854208 1056280960 /nfs/dbraw/zinc/28/09/60/1056280960.db2.gz PAGOEYGIGMTQLH-UHFFFAOYSA-N 0 3 330.472 4.246 20 30 EIEDHN Cc1cccc([C@H](NCC(=O)Nc2ccc(C#N)cc2)C(C)(C)C)c1 ZINC001168656912 1056374358 /nfs/dbraw/zinc/37/43/58/1056374358.db2.gz IYCWWWWUYOCUCK-FQEVSTJZSA-N 0 3 335.451 4.182 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921744255 1056391630 /nfs/dbraw/zinc/39/16/30/1056391630.db2.gz UGCKHZOOOLXSGU-LJQANCHMSA-N 0 3 333.435 4.146 20 30 EIEDHN CCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934025 1056800323 /nfs/dbraw/zinc/80/03/23/1056800323.db2.gz GSULRMJXVNDFQF-DLBZAZTESA-N 0 3 349.478 4.181 20 30 EIEDHN CCS[C@@H]1CC[C@H](N(C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743869127 1059182976 /nfs/dbraw/zinc/18/29/76/1059182976.db2.gz LSCYMGCTQGEDOK-JKSUJKDBSA-N 0 3 338.904 4.348 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC2CCCC2)cc1 ZINC000744028650 1059215900 /nfs/dbraw/zinc/21/59/00/1059215900.db2.gz MZACOFLLNGUYCJ-SFHVURJKSA-N 0 3 326.440 4.257 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)c2ccco2)cc1 ZINC000744030084 1059219070 /nfs/dbraw/zinc/21/90/70/1059219070.db2.gz ZHSRDYXTGXOVIK-RHSMWYFYSA-N 0 3 338.407 4.073 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1 ZINC000746156530 1060052176 /nfs/dbraw/zinc/05/21/76/1060052176.db2.gz LKSLURTTZMJNDN-HSZRJFAPSA-N 0 3 342.442 4.294 20 30 EIEDHN C=C(CC)CN[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001169270660 1060756544 /nfs/dbraw/zinc/75/65/44/1060756544.db2.gz JCJRJRUCRXASPV-AEFFLSMTSA-N 0 3 338.854 4.085 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000057555297 1032219527 /nfs/dbraw/zinc/21/95/27/1032219527.db2.gz ZNXIHBOKFWTELS-DLBZAZTESA-N 0 3 349.478 4.222 20 30 EIEDHN C#CCCCCC(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 ZINC000121157852 1032546236 /nfs/dbraw/zinc/54/62/36/1032546236.db2.gz IGMNUZUWEABOQQ-UHFFFAOYSA-N 0 3 344.524 4.029 20 30 EIEDHN C[C@@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000154343546 1019732929 /nfs/dbraw/zinc/73/29/29/1019732929.db2.gz BKWBCFQOGYQWSR-HZPDHXFCSA-N 0 3 333.435 4.097 20 30 EIEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccc(Cl)cn1 ZINC000274899619 1019843506 /nfs/dbraw/zinc/84/35/06/1019843506.db2.gz KYIPRGTUVKIONX-ZDUSSCGKSA-N 0 3 331.872 4.191 20 30 EIEDHN CC[C@H](NCC#Cc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000510194792 1020425349 /nfs/dbraw/zinc/42/53/49/1020425349.db2.gz SVNDWEMUFMQGIO-SFHVURJKSA-N 0 3 343.854 4.450 20 30 EIEDHN C#CCN(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@H]1CCc2ccccc21 ZINC001167178770 1020487356 /nfs/dbraw/zinc/48/73/56/1020487356.db2.gz KJFWRCQXNQPHEF-SZMVWBNQSA-N 0 3 337.385 4.109 20 30 EIEDHN N#Cc1cc(Cl)cc(CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC001167353014 1021643771 /nfs/dbraw/zinc/64/37/71/1021643771.db2.gz BMKRSDCVBWMYLW-UHFFFAOYSA-N 0 3 326.827 4.329 20 30 EIEDHN COC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000613254338 1021834375 /nfs/dbraw/zinc/83/43/75/1021834375.db2.gz GJWSPTNNDGHCJX-MAZHCROVSA-N 0 3 326.362 4.065 20 30 EIEDHN CC[C@@H](N[C@@H]1CCOc2c(OC)cc(C)cc21)c1ccc(C#N)cc1 ZINC000365713015 1022034877 /nfs/dbraw/zinc/03/48/77/1022034877.db2.gz QBOSKMODENMBLE-RTBURBONSA-N 0 3 336.435 4.440 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1cccc(C#N)c1 ZINC000178179194 1022138816 /nfs/dbraw/zinc/13/88/16/1022138816.db2.gz KSCGGGMVNOSPBR-JKSUJKDBSA-N 0 3 333.435 4.097 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3ccncc3c2)s1 ZINC000651352656 1022661010 /nfs/dbraw/zinc/66/10/10/1022661010.db2.gz FBRUVHYWRWUYJE-HNNXBMFYSA-N 0 3 335.432 4.479 20 30 EIEDHN COc1ccc(CNCc2ccc(C)cc2C)cc1OCCCC#N ZINC000064614149 1022823126 /nfs/dbraw/zinc/82/31/26/1022823126.db2.gz SQLVBNDZAWJZFE-UHFFFAOYSA-N 0 3 338.451 4.284 20 30 EIEDHN C[C@@H]1Cc2cc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)ccc2O1 ZINC000581083016 1022823998 /nfs/dbraw/zinc/82/39/98/1022823998.db2.gz OMROOFHMYCKOQR-BXUZGUMPSA-N 0 3 340.448 4.254 20 30 EIEDHN C=C(C)CN(CCCCC1CCOCC1)Cc1cnn(C(C)C)c1 ZINC000512542929 1033106870 /nfs/dbraw/zinc/10/68/70/1033106870.db2.gz XCVOTIDZENODGI-UHFFFAOYSA-N 0 3 333.520 4.439 20 30 EIEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccc(F)cc1F ZINC000537970586 1023313038 /nfs/dbraw/zinc/31/30/38/1023313038.db2.gz CSNICYYXNIIKRJ-ZDUSSCGKSA-N 0 3 332.419 4.420 20 30 EIEDHN CN(Cc1ccc(C#N)cc1F)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132726 1023468945 /nfs/dbraw/zinc/46/89/45/1023468945.db2.gz OEWIEAYMBBLSJE-TZIWHRDSSA-N 0 3 338.426 4.297 20 30 EIEDHN Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000418136805 1023554611 /nfs/dbraw/zinc/55/46/11/1023554611.db2.gz AWTJMWLMMCBQQW-GOSISDBHSA-N 0 3 332.407 4.017 20 30 EIEDHN CC[C@H](CCc1ccc(Br)cc1)N[C@@H]1CCC[C@H]1C#N ZINC000462067531 1023739901 /nfs/dbraw/zinc/73/99/01/1023739901.db2.gz MJWHRYXGOKTCAA-USXIJHARSA-N 0 3 335.289 4.442 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(OC(C)(C)C)cc2)cc1 ZINC000728711552 1023740310 /nfs/dbraw/zinc/74/03/10/1023740310.db2.gz FHHLDTPQKMSKCF-INIZCTEOSA-N 0 3 338.451 4.445 20 30 EIEDHN C=CC[C@@H]1CC[C@@H](N[C@H](c2nc(-c3cccnc3)no2)C(C)C)C1 ZINC000651751710 1023980778 /nfs/dbraw/zinc/98/07/78/1023980778.db2.gz FFHPNHCJKVTXRT-OIISXLGYSA-N 0 3 326.444 4.163 20 30 EIEDHN N#CCC1(CN[C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000430739173 1023995162 /nfs/dbraw/zinc/99/51/62/1023995162.db2.gz MXDPVSAVFJVWLJ-ZDUSSCGKSA-N 0 3 325.239 4.491 20 30 EIEDHN Cc1ncc(CN[C@@H]2CCCc3cc(C#N)ccc32)n1-c1ccccc1 ZINC000341696927 1024338152 /nfs/dbraw/zinc/33/81/52/1024338152.db2.gz GGUYUYFIOXKODZ-JOCHJYFZSA-N 0 3 342.446 4.220 20 30 EIEDHN C=C(C)COc1cc(CNCc2cc3ccccc3[nH]2)ccc1OC ZINC000057970110 1024881081 /nfs/dbraw/zinc/88/10/81/1024881081.db2.gz RJIOZPGXAUZTCP-UHFFFAOYSA-N 0 3 336.435 4.421 20 30 EIEDHN CC(C)Cc1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000341886431 1024885706 /nfs/dbraw/zinc/88/57/06/1024885706.db2.gz NOTQGJPUNKPWLA-SFHVURJKSA-N 0 3 325.481 4.380 20 30 EIEDHN C=CCC1(C(=O)N2CCN(C3CCC(C)CC3)CC2)CCCCC1 ZINC001126218597 1025009536 /nfs/dbraw/zinc/00/95/36/1025009536.db2.gz OCOJVSCKWHNJQD-UHFFFAOYSA-N 0 3 332.532 4.236 20 30 EIEDHN N#Cc1ccccc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000247633012 1025037268 /nfs/dbraw/zinc/03/72/68/1025037268.db2.gz BWFAEJAKDFXREO-UHFFFAOYSA-N 0 3 327.431 4.034 20 30 EIEDHN Cc1oc(NC(=O)CN[C@H](C)c2cccc3ccccc32)c(C#N)c1C ZINC000120371158 1025061528 /nfs/dbraw/zinc/06/15/28/1025061528.db2.gz NZUWXTDUICPDSK-CQSZACIVSA-N 0 3 347.418 4.211 20 30 EIEDHN CN(C)[C@@H](C/N=C\c1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000588480356 1025154735 /nfs/dbraw/zinc/15/47/35/1025154735.db2.gz RYERJDHHJIIBTH-VBHHZLGVSA-N 0 3 336.357 4.133 20 30 EIEDHN CCCCCCCCN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001167803816 1025254521 /nfs/dbraw/zinc/25/45/21/1025254521.db2.gz DZJRATXTBUCHAU-QGZVFWFLSA-N 0 3 344.421 4.356 20 30 EIEDHN C[C@@H](CCNCc1nc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000569038709 1025534597 /nfs/dbraw/zinc/53/45/97/1025534597.db2.gz UYJFPAFDBWWHIT-NSHDSACASA-N 0 3 339.386 4.317 20 30 EIEDHN C=CCCCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000472057134 1025560288 /nfs/dbraw/zinc/56/02/88/1025560288.db2.gz DUJFUQSVACPXRX-UHFFFAOYSA-N 0 3 334.261 4.285 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OCCCC#N ZINC000299459001 1025799655 /nfs/dbraw/zinc/79/96/55/1025799655.db2.gz XMDVJUFXWNWUPG-INIZCTEOSA-N 0 3 349.434 4.100 20 30 EIEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000121640611 1026324760 /nfs/dbraw/zinc/32/47/60/1026324760.db2.gz CRCYRVDAMWQXAK-JKSUJKDBSA-N 0 3 336.435 4.069 20 30 EIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000121640440 1026328952 /nfs/dbraw/zinc/32/89/52/1026328952.db2.gz CRCYRVDAMWQXAK-CVEARBPZSA-N 0 3 336.435 4.069 20 30 EIEDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C#N)cc1F ZINC000512282095 1026641168 /nfs/dbraw/zinc/64/11/68/1026641168.db2.gz UAYKNJGAFDUSBY-NSHDSACASA-N 0 3 347.777 4.152 20 30 EIEDHN CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000427002188 1026675960 /nfs/dbraw/zinc/67/59/60/1026675960.db2.gz NJPXRSPYLTWJRB-DGCLKSJQSA-N 0 3 333.501 4.074 20 30 EIEDHN C=CCNC(=O)[C@@H](C)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000342637888 1026775960 /nfs/dbraw/zinc/77/59/60/1026775960.db2.gz RHBCWPXGOUZPHG-WIYYLYMNSA-N 0 3 336.479 4.031 20 30 EIEDHN Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)s1 ZINC000113323328 1026782730 /nfs/dbraw/zinc/78/27/30/1026782730.db2.gz WLPDLRBMJWNHLA-UHFFFAOYSA-N 0 3 336.464 4.124 20 30 EIEDHN CC(C)(C#N)CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000277715909 1026829101 /nfs/dbraw/zinc/82/91/01/1026829101.db2.gz MZQSFGYRPIHBHA-GOSISDBHSA-N 0 3 330.472 4.093 20 30 EIEDHN CC(C)(C#N)CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000277715909 1026829108 /nfs/dbraw/zinc/82/91/08/1026829108.db2.gz MZQSFGYRPIHBHA-GOSISDBHSA-N 0 3 330.472 4.093 20 30 EIEDHN C=CCCC[C@H](C)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664937008 1026925065 /nfs/dbraw/zinc/92/50/65/1026925065.db2.gz XVIGODWHUMVOKO-AWEZNQCLSA-N 0 3 329.419 4.194 20 30 EIEDHN N#CCCCOc1cccc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000237826112 1027685885 /nfs/dbraw/zinc/68/58/85/1027685885.db2.gz DVSDOPCOIQFDJM-FQEVSTJZSA-N 0 3 336.435 4.373 20 30 EIEDHN C[C@@H]1CCC[C@H](NC(=O)CN[C@H](c2ccccc2)[C@@H]2CCOC2)[C@H]1C ZINC000329379808 1027756430 /nfs/dbraw/zinc/75/64/30/1027756430.db2.gz NCSDMNKWRUGTDZ-KVNUXVDHSA-N 0 3 344.499 4.135 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2cc(Br)c(C)cc2C)n1 ZINC000453596582 1027823127 /nfs/dbraw/zinc/82/31/27/1027823127.db2.gz XEAVNVHOAUYYLS-GFCCVEGCSA-N 0 3 349.253 4.321 20 30 EIEDHN N#Cc1cc(CN2CC[C@H](CSc3ccccc3)C2)ccc1F ZINC000468278061 1027867178 /nfs/dbraw/zinc/86/71/78/1027867178.db2.gz POZOCDFOUSWLOZ-INIZCTEOSA-N 0 3 326.440 4.312 20 30 EIEDHN COc1cc(CNCc2ccc(OC3CCCC3)cc2)ccc1C#N ZINC000583074848 1027956007 /nfs/dbraw/zinc/95/60/07/1027956007.db2.gz MIBIAUHEMYHGRC-UHFFFAOYSA-N 0 3 336.435 4.178 20 30 EIEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000330267451 1028239984 /nfs/dbraw/zinc/23/99/84/1028239984.db2.gz QNVSWXVSEXJORQ-LNHVQRHZSA-N 0 3 343.254 4.127 20 30 EIEDHN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330270299 1028241462 /nfs/dbraw/zinc/24/14/62/1028241462.db2.gz TXDZDNDXFJZXAP-YJLNNSPDSA-N 0 3 330.472 4.252 20 30 EIEDHN CC[C@H]1CCCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000522712512 1028717896 /nfs/dbraw/zinc/71/78/96/1028717896.db2.gz UMFQEVBRRAWKQJ-IBGZPJMESA-N 0 3 341.499 4.062 20 30 EIEDHN Cn1cc(CN2CCC(C)(c3ccc(Cl)cc3)CC2)cc1C#N ZINC000475295846 1029505960 /nfs/dbraw/zinc/50/59/60/1029505960.db2.gz KJPSNNFSGGCQSX-UHFFFAOYSA-N 0 3 327.859 4.104 20 30 EIEDHN C[C@H](NCc1ccc(OC(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000192945510 1029651555 /nfs/dbraw/zinc/65/15/55/1029651555.db2.gz VQDHBYFBXDUGAL-ZDUSSCGKSA-N 0 3 332.350 4.041 20 30 EIEDHN N#CCOc1ccc(CNCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000179085247 1029822430 /nfs/dbraw/zinc/82/24/30/1029822430.db2.gz YDODBFFUVPTWPU-UHFFFAOYSA-N 0 3 338.304 4.037 20 30 EIEDHN N#CC(C(=O)c1cnc2ccsc2c1)c1ccc(C(F)(F)F)cn1 ZINC000525789489 1030003328 /nfs/dbraw/zinc/00/33/28/1030003328.db2.gz LWSBHHNEUQAGMU-LLVKDONJSA-N 0 3 347.321 4.200 20 30 EIEDHN C=CCC[C@H](O)CNC(C)(C)c1nc(-c2ccccc2F)c(C)s1 ZINC000451166226 1030294103 /nfs/dbraw/zinc/29/41/03/1030294103.db2.gz NILYUSZBXWXERC-AWEZNQCLSA-N 0 3 348.487 4.409 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cc2ccccc2s1 ZINC000526944621 1030339556 /nfs/dbraw/zinc/33/95/56/1030339556.db2.gz GOSJLLZUFKZPDM-LSDHHAIUSA-N 0 3 330.497 4.365 20 30 EIEDHN CC(C)C[C@@]1(C)CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000451286204 1030371531 /nfs/dbraw/zinc/37/15/31/1030371531.db2.gz CMKJCIDOICSDPY-LJQANCHMSA-N 0 3 345.512 4.141 20 30 EIEDHN N#Cc1cc(CN[C@H](CN2CCCCC2)c2ccccc2)ccc1F ZINC000611938750 1030414224 /nfs/dbraw/zinc/41/42/24/1030414224.db2.gz VCUXKKODEVOIRJ-OAQYLSRUSA-N 0 3 337.442 4.014 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc3ncccc3c2)cc1OC ZINC000192975260 1030729642 /nfs/dbraw/zinc/72/96/42/1030729642.db2.gz LLVCQJWSDCADQI-UHFFFAOYSA-N 0 3 334.419 4.098 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C)(C)CC(F)(F)F ZINC000892420032 1030739228 /nfs/dbraw/zinc/73/92/28/1030739228.db2.gz KXMICVSDUSCBGO-NSHDSACASA-N 0 3 337.345 4.118 20 30 EIEDHN C=C(C)[C@@H](N[C@H](COC)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000657983345 1030745501 /nfs/dbraw/zinc/74/55/01/1030745501.db2.gz SMHYQLJXIPACTA-QFBILLFUSA-N 0 3 339.426 4.003 20 30 EIEDHN N#CC(C(=O)CC[C@@H]1CCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000892420853 1030748370 /nfs/dbraw/zinc/74/83/70/1030748370.db2.gz YYJWYQXDHYXFBZ-DOTOQJQBSA-N 0 3 329.403 4.249 20 30 EIEDHN N#CC(C(=O)c1ccc(OC2CCC2)cc1)c1nc(C2CC2)cs1 ZINC000647378319 1030895688 /nfs/dbraw/zinc/89/56/88/1030895688.db2.gz NRDKRYRLDSAEDZ-MRXNPFEDSA-N 0 3 338.432 4.442 20 30 EIEDHN N#CC(C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc(C2CC2)cs1 ZINC000647378559 1030896110 /nfs/dbraw/zinc/89/61/10/1030896110.db2.gz FRDNGODRJPZFRB-HZPDHXFCSA-N 0 3 338.432 4.014 20 30 EIEDHN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)cc1F ZINC000103474948 1030898979 /nfs/dbraw/zinc/89/89/79/1030898979.db2.gz KFNHAMAEMMJMLL-UHFFFAOYSA-N 0 3 348.425 4.152 20 30 EIEDHN CCC(CC)[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000179790108 1031287875 /nfs/dbraw/zinc/28/78/75/1031287875.db2.gz NZFGSBCGMVFASE-GOSISDBHSA-N 0 3 341.480 4.325 20 30 EIEDHN COc1cc(CN2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)ccc1C#N ZINC000449364876 1031660005 /nfs/dbraw/zinc/66/00/05/1031660005.db2.gz RTMDGZDGKJGLJY-ZOWXZIJZSA-N 0 3 326.362 4.118 20 30 EIEDHN COc1ccc(CNCc2cc(C)cs2)cc1OCCCC#N ZINC000449481801 1031780452 /nfs/dbraw/zinc/78/04/52/1031780452.db2.gz VTYGNBCPFUXZCR-UHFFFAOYSA-N 0 3 330.453 4.038 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528910039 1031935928 /nfs/dbraw/zinc/93/59/28/1031935928.db2.gz PVIBLJOQEJHNKS-GVDBMIGSSA-N 0 3 347.393 4.082 20 30 EIEDHN CC1(C)C[C@H](C(=O)C(C#N)c2nc3ccccc3s2)C(C)(C)O1 ZINC000528915830 1031938407 /nfs/dbraw/zinc/93/84/07/1031938407.db2.gz UXTOMCNIPGVXAI-NWDGAFQWSA-N 0 3 328.437 4.066 20 30 EIEDHN C[C@@H](NCCCN(C)c1ccccc1F)c1ccc(C#N)cc1F ZINC000512620574 1033509342 /nfs/dbraw/zinc/50/93/42/1033509342.db2.gz RDEXZDNGUUMARF-CQSZACIVSA-N 0 3 329.394 4.014 20 30 EIEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1OCCc2ccccc21 ZINC000614166511 1033549762 /nfs/dbraw/zinc/54/97/62/1033549762.db2.gz NDGTWKKLNNMCCZ-NRFANRHFSA-N 0 3 334.463 4.234 20 30 EIEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccc(C#N)cc1F ZINC000512628362 1033559060 /nfs/dbraw/zinc/55/90/60/1033559060.db2.gz DTFRHTJSGQPPTR-AWEZNQCLSA-N 0 3 339.439 4.153 20 30 EIEDHN C[C@@H](NCCc1nc(C(F)(F)F)cs1)c1ccc(C#N)cc1F ZINC000512641205 1033592225 /nfs/dbraw/zinc/59/22/25/1033592225.db2.gz FDZHYZXTXBAKSC-SECBINFHSA-N 0 3 343.349 4.066 20 30 EIEDHN COc1ccc([C@@H](C)NCc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000614180128 1033595273 /nfs/dbraw/zinc/59/52/73/1033595273.db2.gz YKWAFQHCSFAIDD-CQSZACIVSA-N 0 3 326.415 4.486 20 30 EIEDHN N#CCCC[C@H](NCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000433015219 1033655286 /nfs/dbraw/zinc/65/52/86/1033655286.db2.gz JGSWVOWXYSCPSA-SFHVURJKSA-N 0 3 341.842 4.303 20 30 EIEDHN CC[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000512666762 1033664044 /nfs/dbraw/zinc/66/40/44/1033664044.db2.gz MBZCKAJBLFIYFC-CJNGLKHVSA-N 0 3 330.378 4.345 20 30 EIEDHN COC(=O)c1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1F ZINC000433035074 1033714627 /nfs/dbraw/zinc/71/46/27/1033714627.db2.gz KNIGOBVPCJRRIU-IBGZPJMESA-N 0 3 340.398 4.137 20 30 EIEDHN CC(C)c1nc(C2CCN(CCC3(C#N)CCCCC3)CC2)no1 ZINC000411208919 1033730611 /nfs/dbraw/zinc/73/06/11/1033730611.db2.gz MSECXJTWMMFTPZ-UHFFFAOYSA-N 0 3 330.476 4.237 20 30 EIEDHN C=C(C)CCN[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000419234937 1033819989 /nfs/dbraw/zinc/81/99/89/1033819989.db2.gz IQESIACLSPGBLH-HXUWFJFHSA-N 0 3 338.451 4.239 20 30 EIEDHN C=CCOCCNCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000679486499 1034242200 /nfs/dbraw/zinc/24/22/00/1034242200.db2.gz OIZHEYRYXMKWLW-UHFFFAOYSA-N 0 3 325.330 4.258 20 30 EIEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419334067 1034325572 /nfs/dbraw/zinc/32/55/72/1034325572.db2.gz UYWJHSQQBDSWNB-SJORKVTESA-N 0 3 338.455 4.255 20 30 EIEDHN CC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(C)cc1 ZINC000120532078 1034409267 /nfs/dbraw/zinc/40/92/67/1034409267.db2.gz UIWIYWAMLDGXNL-KRWDZBQOSA-N 0 3 341.842 4.200 20 30 EIEDHN N#Cc1ccccc1CSCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000513501820 1034999886 /nfs/dbraw/zinc/99/98/86/1034999886.db2.gz VSSPHIAIOYUELQ-GOSISDBHSA-N 0 3 344.430 4.347 20 30 EIEDHN Fc1cc(F)c(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1F ZINC000430024861 1035014128 /nfs/dbraw/zinc/01/41/28/1035014128.db2.gz JKGROYGDICEYQT-JGVFFNPUSA-N 0 3 329.259 4.454 20 30 EIEDHN CC(C)C[C@H]1CCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000501106259 1035378291 /nfs/dbraw/zinc/37/82/91/1035378291.db2.gz OCCOSOBQVBUBTO-QGZVFWFLSA-N 0 3 347.890 4.097 20 30 EIEDHN CC(C)[C@H](O)[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595096892 1035602630 /nfs/dbraw/zinc/60/26/30/1035602630.db2.gz NRZXUQDTVVMOTL-FSSWDIPSSA-N 0 3 334.463 4.283 20 30 EIEDHN CC(C)[C@H](O)[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595096890 1035607018 /nfs/dbraw/zinc/60/70/18/1035607018.db2.gz NRZXUQDTVVMOTL-BDTNDASRSA-N 0 3 334.463 4.283 20 30 EIEDHN N#Cc1cc(CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)ccn1 ZINC000586776721 1035833662 /nfs/dbraw/zinc/83/36/62/1035833662.db2.gz QQNLCIIHWYACBL-QGZVFWFLSA-N 0 3 347.340 4.093 20 30 EIEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)c(C)c1OC ZINC000586794277 1035849301 /nfs/dbraw/zinc/84/93/01/1035849301.db2.gz JQXUYAADQJXXPE-CYBMUJFWSA-N 0 3 344.842 4.388 20 30 EIEDHN N#Cc1ccc([C@@H](O)CN2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000129564007 1035904498 /nfs/dbraw/zinc/90/44/98/1035904498.db2.gz FBZKXZMXWVXNNQ-FQEVSTJZSA-N 0 3 338.838 4.034 20 30 EIEDHN N#CC[C@H]1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597174293 1036143066 /nfs/dbraw/zinc/14/30/66/1036143066.db2.gz ORHPKDWLRXTEKI-GOSISDBHSA-N 0 3 345.446 4.263 20 30 EIEDHN CC1(C#N)CCC(N[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000597229408 1036163678 /nfs/dbraw/zinc/16/36/78/1036163678.db2.gz SYMILRBCQRNKSM-WMEQCIOUSA-N 0 3 327.255 4.089 20 30 EIEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)[C@H]1Sc1ccccc1 ZINC000421349798 1036294815 /nfs/dbraw/zinc/29/48/15/1036294815.db2.gz JLGMGTBANBGQBN-KZNAEPCWSA-N 0 3 344.505 4.048 20 30 EIEDHN Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1ccc(C#N)s1 ZINC000421355444 1036298337 /nfs/dbraw/zinc/29/83/37/1036298337.db2.gz ZFYANDMNZNCAKY-GFCCVEGCSA-N 0 3 347.871 4.089 20 30 EIEDHN C=CCN1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC000597982987 1036417916 /nfs/dbraw/zinc/41/79/16/1036417916.db2.gz UCFJOCXZDVTAAW-FQEVSTJZSA-N 0 3 341.499 4.361 20 30 EIEDHN Cc1c(CN2CCSCC2)cccc1NC1CCC(C#N)CC1 ZINC000602492676 1036466379 /nfs/dbraw/zinc/46/63/79/1036466379.db2.gz WFXOIIMYBWQMTA-UHFFFAOYSA-N 0 3 329.513 4.038 20 30 EIEDHN Cc1cc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)oc1C ZINC000502706248 1036535107 /nfs/dbraw/zinc/53/51/07/1036535107.db2.gz FRPPTYFZIHTPMC-RHSMWYFYSA-N 0 3 341.430 4.227 20 30 EIEDHN C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1F ZINC000588961677 1036626718 /nfs/dbraw/zinc/62/67/18/1036626718.db2.gz SOGGSCGOTMFGJU-WZRBSPASSA-N 0 3 325.225 4.321 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000598615994 1036714940 /nfs/dbraw/zinc/71/49/40/1036714940.db2.gz IQHWXGRMOIIRGP-LRDDRELGSA-N 0 3 341.282 4.335 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000598703386 1036750738 /nfs/dbraw/zinc/75/07/38/1036750738.db2.gz HDCQHIBUSKUYRY-RBUKOAKNSA-N 0 3 342.870 4.320 20 30 EIEDHN CSc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)s1 ZINC000599005791 1036844719 /nfs/dbraw/zinc/84/47/19/1036844719.db2.gz UDTZPCPTNUABGK-UHFFFAOYSA-N 0 3 344.505 4.137 20 30 EIEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000027449497 1036855943 /nfs/dbraw/zinc/85/59/43/1036855943.db2.gz PWBYUCWTQGZWCL-KSSFIOAISA-N 0 3 339.439 4.082 20 30 EIEDHN Cc1nc(Nc2cccc3c2OCC[C@@H]3N(C)C)c(Cl)cc1C#N ZINC000589692105 1036866970 /nfs/dbraw/zinc/86/69/70/1036866970.db2.gz YGBSUDUMEBBAJF-INIZCTEOSA-N 0 3 342.830 4.044 20 30 EIEDHN CC[C@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1cc(C)ccc1C ZINC000599640151 1037105976 /nfs/dbraw/zinc/10/59/76/1037105976.db2.gz DVSHZGQUWVYLKV-SFHVURJKSA-N 0 3 339.439 4.064 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000590964573 1037216066 /nfs/dbraw/zinc/21/60/66/1037216066.db2.gz PAVWHQPBHUZMTM-NRFANRHFSA-N 0 3 334.463 4.250 20 30 EIEDHN N#Cc1csc(CNCc2cc3cc(Br)ccc3[nH]2)c1 ZINC000183824689 1037350889 /nfs/dbraw/zinc/35/08/89/1037350889.db2.gz IADIUYWFSFIJDF-UHFFFAOYSA-N 0 3 346.253 4.153 20 30 EIEDHN COCCSc1ccc([C@H](C)NCc2ccc(C#N)c(C)c2)cc1 ZINC000488131274 1037380154 /nfs/dbraw/zinc/38/01/54/1037380154.db2.gz XGUZWBNVHOAGEK-INIZCTEOSA-N 0 3 340.492 4.456 20 30 EIEDHN COc1cc2c(cc1OC)[C@H](N[C@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000591348927 1037390364 /nfs/dbraw/zinc/39/03/64/1037390364.db2.gz DUHIZIRUOKUAGV-VQTJNVASSA-N 0 3 348.446 4.230 20 30 EIEDHN CC1(C)C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2cc(N)ccc2O1 ZINC000591579373 1037506219 /nfs/dbraw/zinc/50/62/19/1037506219.db2.gz SWYVTUKQRQQEQI-UXHICEINSA-N 0 3 347.462 4.410 20 30 EIEDHN Cc1cc(CNCc2ccc(C#N)c(Cl)c2)c2c(n1)CCCC2 ZINC000894269956 1037521750 /nfs/dbraw/zinc/52/17/50/1037521750.db2.gz AHVNARYTHCCQKO-UHFFFAOYSA-N 0 3 325.843 4.084 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCc3ccccc32)CC1 ZINC000503415634 1037749380 /nfs/dbraw/zinc/74/93/80/1037749380.db2.gz LQWNPBQADAKHFG-KRWDZBQOSA-N 0 3 331.463 4.146 20 30 EIEDHN N#CCc1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000592391599 1037795142 /nfs/dbraw/zinc/79/51/42/1037795142.db2.gz GJGJCOYWLLTLIF-GOSISDBHSA-N 0 3 326.827 4.410 20 30 EIEDHN N#CCc1ccc(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000592391426 1037795502 /nfs/dbraw/zinc/79/55/02/1037795502.db2.gz JNXGRRXEHHPNBA-OAQYLSRUSA-N 0 3 342.446 4.106 20 30 EIEDHN CC#CCCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000573989627 1037802787 /nfs/dbraw/zinc/80/27/87/1037802787.db2.gz XRUJNRHSHUFFBA-SFHVURJKSA-N 0 3 334.891 4.033 20 30 EIEDHN N#CC(C(=O)c1cc2ccsc2[nH]1)c1nc2cc(F)ccc2s1 ZINC000592974316 1037885135 /nfs/dbraw/zinc/88/51/35/1037885135.db2.gz QHTSZQGDGCQCGT-SNVBAGLBSA-N 0 3 341.392 4.468 20 30 EIEDHN CN(CCOc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000058828921 1038105881 /nfs/dbraw/zinc/10/58/81/1038105881.db2.gz MBMQAMBRUIBFBY-UHFFFAOYSA-N 0 3 334.341 4.088 20 30 EIEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CCC[C@H](C#N)C2)c2ccccc21 ZINC000593692667 1038153690 /nfs/dbraw/zinc/15/36/90/1038153690.db2.gz YRANEJQHZKDSIW-SFUIVIKGSA-N 0 3 340.467 4.229 20 30 EIEDHN CCc1csc(CC2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000594019327 1038212517 /nfs/dbraw/zinc/21/25/17/1038212517.db2.gz KKRSWWRXJRPJQW-UHFFFAOYSA-N 0 3 325.481 4.032 20 30 EIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc2c(c1)OCCCO2 ZINC000574647773 1038306860 /nfs/dbraw/zinc/30/68/60/1038306860.db2.gz XNOIPOFBVABJTL-HXUWFJFHSA-N 0 3 348.446 4.277 20 30 EIEDHN CC(C)(C)C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594434008 1038332583 /nfs/dbraw/zinc/33/25/83/1038332583.db2.gz WHVKGCPBMBGCTK-SJORKVTESA-N 0 3 349.906 4.345 20 30 EIEDHN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594434227 1038332791 /nfs/dbraw/zinc/33/27/91/1038332791.db2.gz XWBZMKDIJDPWKV-UWJYYQICSA-N 0 3 349.478 4.284 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000594434659 1038333606 /nfs/dbraw/zinc/33/36/06/1038333606.db2.gz QUYVFZHFHWAHJU-GOSISDBHSA-N 0 3 347.890 4.022 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000594435979 1038334527 /nfs/dbraw/zinc/33/45/27/1038334527.db2.gz GGXOYTFNKCGPGL-NRFANRHFSA-N 0 3 349.478 4.212 20 30 EIEDHN CC(C)(C)Oc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000594501407 1038349513 /nfs/dbraw/zinc/34/95/13/1038349513.db2.gz VCQPEEOVADOKMP-UHFFFAOYSA-N 0 3 337.467 4.350 20 30 EIEDHN CC(=O)N1CC[C@H](NCc2ccc(C(C)(C)C#N)cc2)c2ccccc21 ZINC000594504245 1038351712 /nfs/dbraw/zinc/35/17/12/1038351712.db2.gz HRQPQXJIAJNXAD-FQEVSTJZSA-N 0 3 347.462 4.075 20 30 EIEDHN CC[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCCO2 ZINC000594515286 1038359031 /nfs/dbraw/zinc/35/90/31/1038359031.db2.gz MJWZDPRYMAOFBQ-LJQANCHMSA-N 0 3 348.446 4.450 20 30 EIEDHN Cn1cc(-c2ccc(CNC3(c4ccc(C#N)cc4)CCC3)s2)cn1 ZINC000594518567 1038359930 /nfs/dbraw/zinc/35/99/30/1038359930.db2.gz IDIYJXYUOMVDBY-UHFFFAOYSA-N 0 3 348.475 4.189 20 30 EIEDHN C=CCc1cc(CNC2(c3ccc(C#N)cc3)CCC2)cc(OC)c1O ZINC000594521837 1038360177 /nfs/dbraw/zinc/36/01/77/1038360177.db2.gz UUZHHCCFHMOQEL-UHFFFAOYSA-N 0 3 348.446 4.170 20 30 EIEDHN COc1cc2c(cc1OC)[C@H](NC1(c3ccc(C#N)cc3)CCC1)CC2 ZINC000594520091 1038360711 /nfs/dbraw/zinc/36/07/11/1038360711.db2.gz YRZXBPGNYMILFA-LJQANCHMSA-N 0 3 348.446 4.232 20 30 EIEDHN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(C(C)(C)C#N)cc1 ZINC000594522431 1038363893 /nfs/dbraw/zinc/36/38/93/1038363893.db2.gz LMRPYEXTKLZTEY-LJQANCHMSA-N 0 3 338.426 4.413 20 30 EIEDHN COc1cc(CNCc2ccc(C3(C#N)CC3)cc2)c2ccccc2n1 ZINC000594928180 1038431471 /nfs/dbraw/zinc/43/14/71/1038431471.db2.gz FUMWDEZSAKITRP-UHFFFAOYSA-N 0 3 343.430 4.088 20 30 EIEDHN Cc1cccc(C)c1Oc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424102465 1038494790 /nfs/dbraw/zinc/49/47/90/1038494790.db2.gz ONUIWUAFXREXOG-MRXNPFEDSA-N 0 3 337.423 4.055 20 30 EIEDHN Cc1cc(C)cc(Oc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)c1 ZINC000424100865 1038495249 /nfs/dbraw/zinc/49/52/49/1038495249.db2.gz LTYGLPMYAVNXLX-IBGZPJMESA-N 0 3 337.423 4.055 20 30 EIEDHN CC(C)(C)Oc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594943740 1038510265 /nfs/dbraw/zinc/51/02/65/1038510265.db2.gz PFUZNJMBXSMHHA-UHFFFAOYSA-N 0 3 335.451 4.104 20 30 EIEDHN N#CC1(c2ccc(CN[C@@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000594944733 1038519362 /nfs/dbraw/zinc/51/93/62/1038519362.db2.gz VPOAVBVZBRMARB-LJQANCHMSA-N 0 3 336.410 4.384 20 30 EIEDHN N#CC1(c2ccc(CNCc3ccc(OC(F)F)c(F)c3)cc2)CC1 ZINC000594945723 1038524837 /nfs/dbraw/zinc/52/48/37/1038524837.db2.gz WHHJSUSSNMKRCS-UHFFFAOYSA-N 0 3 346.352 4.272 20 30 EIEDHN Cc1c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1-c1cccc(Cl)c1 ZINC000424335938 1038810789 /nfs/dbraw/zinc/81/07/89/1038810789.db2.gz XDPWPJPRMGJRBW-DUVNUKRYSA-N 0 3 328.847 4.177 20 30 EIEDHN COc1cc(C)c([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000554987989 1038812809 /nfs/dbraw/zinc/81/28/09/1038812809.db2.gz HTNFZHFSPMATIV-AUUYWEPGSA-N 0 3 336.435 4.222 20 30 EIEDHN COc1cc(C)c([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000554987993 1038813175 /nfs/dbraw/zinc/81/31/75/1038813175.db2.gz HTNFZHFSPMATIV-LIRRHRJNSA-N 0 3 336.435 4.222 20 30 EIEDHN C[C@@H](NCC#Cc1ccccc1Cl)c1cccc(-n2cccn2)c1 ZINC000539287416 1038934063 /nfs/dbraw/zinc/93/40/63/1038934063.db2.gz XFFVFDACKMMANI-MRXNPFEDSA-N 0 3 335.838 4.228 20 30 EIEDHN C=CCCc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000505061051 1038935642 /nfs/dbraw/zinc/93/56/42/1038935642.db2.gz IXBYNPZLNVKENB-FQEVSTJZSA-N 0 3 337.467 4.230 20 30 EIEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000041498964 1038983309 /nfs/dbraw/zinc/98/33/09/1038983309.db2.gz OEZQWFZRJHWXFK-OAHLLOKOSA-N 0 3 334.400 4.351 20 30 EIEDHN CCOc1ccc(C[C@H](C)C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000842293017 1039180067 /nfs/dbraw/zinc/18/00/67/1039180067.db2.gz GWKRQNIMTYMSDK-WMLDXEAASA-N 0 3 348.402 4.282 20 30 EIEDHN COc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1OC1CC1 ZINC000600167784 1039338594 /nfs/dbraw/zinc/33/85/94/1039338594.db2.gz XWIHKHLYNUVBJA-HNNXBMFYSA-N 0 3 336.435 4.301 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000552323576 1039381287 /nfs/dbraw/zinc/38/12/87/1039381287.db2.gz LYNSOAXIKWAQSF-INIZCTEOSA-N 0 3 341.451 4.428 20 30 EIEDHN CCCN(Cc1ccc(OC)c(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000481438876 1039415234 /nfs/dbraw/zinc/41/52/34/1039415234.db2.gz XREFPOIPMBDDNS-LJQANCHMSA-N 0 3 335.451 4.251 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2ccsc2)cc1 ZINC000128602885 1039819290 /nfs/dbraw/zinc/81/92/90/1039819290.db2.gz JNOXKRYYLJUKFP-INIZCTEOSA-N 0 3 326.421 4.052 20 30 EIEDHN C[C@H](c1ccncc1)N1CCC(Nc2cc(Cl)ccc2C#N)CC1 ZINC000425233729 1039902215 /nfs/dbraw/zinc/90/22/15/1039902215.db2.gz GYANYMLAWVNULY-CQSZACIVSA-N 0 3 340.858 4.244 20 30 EIEDHN CCOc1ccc(CN(C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000505705628 1040447031 /nfs/dbraw/zinc/44/70/31/1040447031.db2.gz KCFHCUYQAXDGPF-UHFFFAOYSA-N 0 3 338.451 4.400 20 30 EIEDHN C=CCCCCCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000508851403 1040451020 /nfs/dbraw/zinc/45/10/20/1040451020.db2.gz GZVXFDKGZOEZDJ-PKOBYXMFSA-N 0 3 331.504 4.066 20 30 EIEDHN C=CCC(F)(F)C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](CC)CCCC ZINC001270001480 1040535124 /nfs/dbraw/zinc/53/51/24/1040535124.db2.gz YOPJXMAYLBZCJP-ZACQAIPSSA-N 0 3 342.474 4.089 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(-c2ccc(F)cc2)n1 ZINC000435746035 1040599302 /nfs/dbraw/zinc/59/93/02/1040599302.db2.gz SPNUWHKJUZKLFJ-YOEHRIQHSA-N 0 3 332.444 4.020 20 30 EIEDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000539609458 1040607396 /nfs/dbraw/zinc/60/73/96/1040607396.db2.gz HKHKKPXNGGWWBL-NQCMUKECSA-N 0 3 330.378 4.263 20 30 EIEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000127963271 1040697428 /nfs/dbraw/zinc/69/74/28/1040697428.db2.gz SUXHHPGUMFMGEY-OAHLLOKOSA-N 0 3 348.333 4.047 20 30 EIEDHN N#CC(=C([O-])c1ccc(OC2CCC2)cc1)c1cnc2ccccc2n1 ZINC000483200101 1040760657 /nfs/dbraw/zinc/76/06/57/1040760657.db2.gz NEWVXTMGSGVLSE-QGZVFWFLSA-N 0 3 343.386 4.051 20 30 EIEDHN N#CC(C(=O)c1ccc(OC2CCC2)cc1)c1cnc2ccccc2n1 ZINC000483200101 1040760664 /nfs/dbraw/zinc/76/06/64/1040760664.db2.gz NEWVXTMGSGVLSE-QGZVFWFLSA-N 0 3 343.386 4.051 20 30 EIEDHN C=C(C)CN(CCc1ccc(F)cc1Cl)Cc1ccc(CO)o1 ZINC000515564130 1040869405 /nfs/dbraw/zinc/86/94/05/1040869405.db2.gz HVELWDJJVLPKHF-UHFFFAOYSA-N 0 3 337.822 4.185 20 30 EIEDHN C=CCC[C@H](CC)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000537968053 1040972304 /nfs/dbraw/zinc/97/23/04/1040972304.db2.gz OKKRQOBCFRJGFR-NSHDSACASA-N 0 3 346.784 4.236 20 30 EIEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000484090231 1041117697 /nfs/dbraw/zinc/11/76/97/1041117697.db2.gz APZZKKRVJKYPQI-XIKOKIGWSA-N 0 3 332.806 4.217 20 30 EIEDHN C=CC[C@@H](C)[C@H](C)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540167476 1041209927 /nfs/dbraw/zinc/20/99/27/1041209927.db2.gz ZMOVNBXJRHPALD-ZJUUUORDSA-N 0 3 346.784 4.092 20 30 EIEDHN COc1ccccc1-c1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000480358279 1041240943 /nfs/dbraw/zinc/24/09/43/1041240943.db2.gz CSCOAPKFXNKQOG-INIZCTEOSA-N 0 3 345.446 4.423 20 30 EIEDHN CCCN(Cc1ccc(Cl)cc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000480525449 1041356964 /nfs/dbraw/zinc/35/69/64/1041356964.db2.gz IQQXPCPICCLNFP-RCCFBDPRSA-N 0 3 332.875 4.237 20 30 EIEDHN C=CCN1CCC(NC(=O)[C@@H](CC(C)C)c2ccc(Cl)cc2)CC1 ZINC000668369935 1041387511 /nfs/dbraw/zinc/38/75/11/1041387511.db2.gz IRWXLUQAPVBOPV-IBGZPJMESA-N 0 3 348.918 4.236 20 30 EIEDHN Cc1oc(NC(=O)CN[C@@H](CC(C)C)c2cccs2)c(C#N)c1C ZINC000544451147 1041543761 /nfs/dbraw/zinc/54/37/61/1041543761.db2.gz ARRURNFMGDUEND-HNNXBMFYSA-N 0 3 345.468 4.145 20 30 EIEDHN CN(C)c1cccc(CN(C)Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000516692174 1041703786 /nfs/dbraw/zinc/70/37/86/1041703786.db2.gz DFPYJWFIENKWFD-UHFFFAOYSA-N 0 3 347.384 4.275 20 30 EIEDHN C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]2CCCC[C@H]12 ZINC000541112089 1041818869 /nfs/dbraw/zinc/81/88/69/1041818869.db2.gz LMYCDFXGHKSGBB-HLIPFELVSA-N 0 3 349.478 4.248 20 30 EIEDHN CN(CCOc1ccc(Cl)cc1Cl)Cc1ccc(C#N)cc1 ZINC000506129778 1041908512 /nfs/dbraw/zinc/90/85/12/1041908512.db2.gz CHRRQFPFGBZVRQ-UHFFFAOYSA-N 0 3 335.234 4.376 20 30 EIEDHN C=CCOc1ccc(CN(C)[C@H](C)c2ccc(OC)cc2)cc1OC ZINC000506339100 1042332068 /nfs/dbraw/zinc/33/20/68/1042332068.db2.gz FXZSCASPZUGYQQ-MRXNPFEDSA-N 0 3 341.451 4.462 20 30 EIEDHN C=CCN(CC1CCCCC1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000303478998 1042444775 /nfs/dbraw/zinc/44/47/75/1042444775.db2.gz SNCFMZIHTUDXTI-FQEVSTJZSA-N 0 3 343.515 4.067 20 30 EIEDHN CN(CC#Cc1ccc(Cl)cc1)C1CCN(c2ccccc2)CC1 ZINC000439014573 1042469014 /nfs/dbraw/zinc/46/90/14/1042469014.db2.gz IADVESNQXDVUIK-UHFFFAOYSA-N 0 3 338.882 4.292 20 30 EIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)[C@@H](C)C(C)C)c1C#N ZINC000030150144 1042492613 /nfs/dbraw/zinc/49/26/13/1042492613.db2.gz RJLOAQZLXPSDEJ-HNNXBMFYSA-N 0 3 344.503 4.007 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC(C)(C)C)cc2)CC1 ZINC000173694454 1042601124 /nfs/dbraw/zinc/60/11/24/1042601124.db2.gz CRIFEQCJHVYUSA-UHFFFAOYSA-N 0 3 345.487 4.026 20 30 EIEDHN COc1ccc([C@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)cc1 ZINC000439452151 1042636777 /nfs/dbraw/zinc/63/67/77/1042636777.db2.gz LYKZSTLSXJOTJM-INIZCTEOSA-N 0 3 326.827 4.210 20 30 EIEDHN N#Cc1ccc(CNCC2(c3ccccc3Br)CCC2)o1 ZINC000492515859 1042678397 /nfs/dbraw/zinc/67/83/97/1042678397.db2.gz SEPYAQGOXODMII-UHFFFAOYSA-N 0 3 345.240 4.125 20 30 EIEDHN COc1ccccc1CN(CCCC(C)(C)C#N)C[C@@H]1CCCO1 ZINC000174863359 1042717858 /nfs/dbraw/zinc/71/78/58/1042717858.db2.gz UOSXIORNUCAISY-SFHVURJKSA-N 0 3 330.472 4.006 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3cnccc3c2)s1 ZINC000518909488 1042748765 /nfs/dbraw/zinc/74/87/65/1042748765.db2.gz PCPKXFIOXDYELT-OAHLLOKOSA-N 0 3 335.432 4.479 20 30 EIEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H]2CCC[C@H](C)C2)c1C ZINC000519002864 1042786254 /nfs/dbraw/zinc/78/62/54/1042786254.db2.gz KHXFEQVOVYZBEU-LPHOPBHVSA-N 0 3 341.499 4.061 20 30 EIEDHN C=CCSCCN[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000494049688 1043008982 /nfs/dbraw/zinc/00/89/82/1043008982.db2.gz PKSYGJRUJTUAPR-LJQANCHMSA-N 0 3 331.456 4.433 20 30 EIEDHN Cc1ccccc1OCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000073977053 1043103523 /nfs/dbraw/zinc/10/35/23/1043103523.db2.gz VQLNLEFCOCYTBB-OAHLLOKOSA-N 0 3 334.375 4.172 20 30 EIEDHN C=CCC[C@H](C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1 ZINC000427645192 1043105817 /nfs/dbraw/zinc/10/58/17/1043105817.db2.gz MHFJYHRHDXTBPV-FKBYEOEOSA-N 0 3 348.490 4.298 20 30 EIEDHN C=CCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1 ZINC000673898633 1043140460 /nfs/dbraw/zinc/14/04/60/1043140460.db2.gz HOTAMUZXBBXVFX-UHFFFAOYSA-N 0 3 335.407 4.030 20 30 EIEDHN COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(OC2CCCC2)c1 ZINC000185850779 1043225732 /nfs/dbraw/zinc/22/57/32/1043225732.db2.gz HFTBHPIEZUSRGH-RDJZCZTQSA-N 0 3 328.456 4.189 20 30 EIEDHN CCCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(OC(F)F)c1 ZINC000185855585 1043227234 /nfs/dbraw/zinc/22/72/34/1043227234.db2.gz GVKHFNFGILQARN-ZFWWWQNUSA-N 0 3 338.398 4.249 20 30 EIEDHN N#Cc1ccc2ncc(CN(C3CC3)[C@H]3CCCc4ccccc43)n2c1 ZINC000507995639 1043230062 /nfs/dbraw/zinc/23/00/62/1043230062.db2.gz VFOPFONDJIBZPV-NRFANRHFSA-N 0 3 342.446 4.248 20 30 EIEDHN CCS[C@@H]1CCC[C@H]1NCc1ccc(Br)cc1C#N ZINC000311597254 1043309988 /nfs/dbraw/zinc/30/99/88/1043309988.db2.gz FPTDKLWEPMNPSX-HUUCEWRRSA-N 0 3 339.302 4.085 20 30 EIEDHN C=CCN1CC[C@H](N[C@@H](CCC)c2ccc(Cl)c(Cl)c2)C1=O ZINC000499602075 1043396728 /nfs/dbraw/zinc/39/67/28/1043396728.db2.gz JCKVZTCVJXEWJO-HOTGVXAUSA-N 0 3 341.282 4.211 20 30 EIEDHN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000499626477 1043498341 /nfs/dbraw/zinc/49/83/41/1043498341.db2.gz OUSLOAVFZXRPES-UGSOOPFHSA-N 0 3 348.368 4.189 20 30 EIEDHN C=CCSc1nc2ccccc2n1CN1CCC(OC(C)C)CC1 ZINC000730565144 1043559517 /nfs/dbraw/zinc/55/95/17/1043559517.db2.gz RNQGGFZDAQTIBE-UHFFFAOYSA-N 0 3 345.512 4.161 20 30 EIEDHN COc1ccc2[nH]cc(C3CCN(Cc4ccccc4C#N)CC3)c2c1 ZINC000142120725 1043718120 /nfs/dbraw/zinc/71/81/20/1043718120.db2.gz QOYJSXFCTIQLBP-UHFFFAOYSA-N 0 3 345.446 4.428 20 30 EIEDHN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)c3ccc(C#N)cc3)ccc2NC1=O ZINC000245678909 1044074870 /nfs/dbraw/zinc/07/48/70/1044074870.db2.gz GFXWCTDKZQHLHV-TYILLQQXSA-N 0 3 349.434 4.080 20 30 EIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Br)s1 ZINC000443310218 1044172949 /nfs/dbraw/zinc/17/29/49/1044172949.db2.gz ISKJCNTWJZNVQM-LLVKDONJSA-N 0 3 335.270 4.427 20 30 EIEDHN C#CCCOc1ccc(CNCc2cccc(OCC(C)C)c2)cc1 ZINC000733325485 1044188177 /nfs/dbraw/zinc/18/81/77/1044188177.db2.gz OORCSLPKRJLAQI-UHFFFAOYSA-N 0 3 337.463 4.413 20 30 EIEDHN N#Cc1ccc(CNCCCOc2ccc(Cl)cc2Cl)o1 ZINC000174323000 1044258531 /nfs/dbraw/zinc/25/85/31/1044258531.db2.gz WXMFOOQMCXIZNT-UHFFFAOYSA-N 0 3 325.195 4.017 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cnc3ccccc3c2)c1 ZINC000733800556 1044316987 /nfs/dbraw/zinc/31/69/87/1044316987.db2.gz ZZTUXVXVEPPDIB-IBGZPJMESA-N 0 3 331.419 4.206 20 30 EIEDHN C=CC[C@@H](CC)NCc1csc(COc2ccc(OC)cc2)n1 ZINC000466400733 1044390717 /nfs/dbraw/zinc/39/07/17/1044390717.db2.gz WMZJHGVJQSHBKG-CQSZACIVSA-N 0 3 332.469 4.175 20 30 EIEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000922299534 1044472050 /nfs/dbraw/zinc/47/20/50/1044472050.db2.gz DEJLNIOKEWAPJU-CVEARBPZSA-N 0 3 336.819 4.032 20 30 EIEDHN Cc1nc(CC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cs1 ZINC000076606932 1044707085 /nfs/dbraw/zinc/70/70/85/1044707085.db2.gz OKYJGFPUMQNZAW-NSHDSACASA-N 0 3 347.852 4.134 20 30 EIEDHN CN(CC#Cc1ccc(F)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000676556606 1044788495 /nfs/dbraw/zinc/78/84/95/1044788495.db2.gz SONSAMUCQWNXQV-RBBKRZOGSA-N 0 3 337.438 4.277 20 30 EIEDHN CN(CC#Cc1ccc(F)cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000676556607 1044790111 /nfs/dbraw/zinc/79/01/11/1044790111.db2.gz SONSAMUCQWNXQV-UNMCSNQZSA-N 0 3 337.438 4.277 20 30 EIEDHN CC(C)CCO[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000093476112 1044838737 /nfs/dbraw/zinc/83/87/37/1044838737.db2.gz ZHCPSYZOAUKINI-HXUWFJFHSA-N 0 3 330.472 4.006 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc4ccccc43)nc21 ZINC000735790951 1044865250 /nfs/dbraw/zinc/86/52/50/1044865250.db2.gz GRGXWJHZSXCASU-SFHVURJKSA-N 0 3 339.398 4.444 20 30 EIEDHN CSC[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000429315364 1044933982 /nfs/dbraw/zinc/93/39/82/1044933982.db2.gz ZRPGFSAKTHJUBO-HNNXBMFYSA-N 0 3 327.415 4.132 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1cc(Cl)cs1 ZINC000737319489 1045000174 /nfs/dbraw/zinc/00/01/74/1045000174.db2.gz XRBLXFFCKUORGZ-CYBMUJFWSA-N 0 3 343.839 4.097 20 30 EIEDHN N#Cc1cccc(CNCc2c(-c3ccccc3)nc3sccn32)c1 ZINC000915054109 1045005378 /nfs/dbraw/zinc/00/53/78/1045005378.db2.gz IKLOEQUJXUOTCF-UHFFFAOYSA-N 0 3 344.443 4.224 20 30 EIEDHN N#CCCOCCN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000338886805 1045020544 /nfs/dbraw/zinc/02/05/44/1045020544.db2.gz NCJJHXIYKHIAGR-UHFFFAOYSA-N 0 3 349.887 4.059 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC/C=C\c1ccccc1 ZINC000739141825 1045120483 /nfs/dbraw/zinc/12/04/83/1045120483.db2.gz DWCXTHQXSFQVPE-KPFINFFTSA-N 0 3 329.403 4.243 20 30 EIEDHN C=CCCCCCN(C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000739930819 1045176512 /nfs/dbraw/zinc/17/65/12/1045176512.db2.gz PALWWVLBPOSAPM-GOSISDBHSA-N 0 3 343.515 4.292 20 30 EIEDHN C=CC[C@@H](N[C@@H](C)c1ccc(OC)c(COC)c1)c1ccncc1 ZINC000766018368 1045193233 /nfs/dbraw/zinc/19/32/33/1045193233.db2.gz GZINRGRTPDITEL-HNAYVOBHSA-N 0 3 326.440 4.205 20 30 EIEDHN C=CCN(CCOc1ccc2c(C)cc(=O)oc2c1)Cc1ccccc1 ZINC000740874850 1045235526 /nfs/dbraw/zinc/23/55/26/1045235526.db2.gz MNZCOSSQEKTMTL-UHFFFAOYSA-N 0 3 349.430 4.168 20 30 EIEDHN Cc1ccc2[nH]c([C@H]3CCCN(Cc4cccc(C#N)c4F)C3)nc2c1 ZINC000611374393 1045290364 /nfs/dbraw/zinc/29/03/64/1045290364.db2.gz NWDFIEPCBYTEOE-KRWDZBQOSA-N 0 3 348.425 4.262 20 30 EIEDHN Cc1ccc2nc([C@H]3CCCN(Cc4cccc(C#N)c4F)C3)[nH]c2c1 ZINC000611374393 1045290371 /nfs/dbraw/zinc/29/03/71/1045290371.db2.gz NWDFIEPCBYTEOE-KRWDZBQOSA-N 0 3 348.425 4.262 20 30 EIEDHN Cc1cc2ncn(CN3CC=C(c4ccc(C#N)cc4)CC3)c2cc1C ZINC000767987255 1045693557 /nfs/dbraw/zinc/69/35/57/1045693557.db2.gz XUPJYBADMNSGDZ-UHFFFAOYSA-N 0 3 342.446 4.272 20 30 EIEDHN C#CCCOc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000768256329 1045770031 /nfs/dbraw/zinc/77/00/31/1045770031.db2.gz CIZDZEZOPSKUEQ-UHFFFAOYSA-N 0 3 330.431 4.125 20 30 EIEDHN O[C@@H](C[C@@H]1CCCCCN1CC#Cc1ccccc1)c1cccs1 ZINC000792239645 1045880469 /nfs/dbraw/zinc/88/04/69/1045880469.db2.gz CYBOKXMQNOEXSX-PMACEKPBSA-N 0 3 339.504 4.468 20 30 EIEDHN C=CCN1CCC[C@@H]1c1ccc(NCC(=O)Cc2ccccc2)cc1 ZINC001170187536 1045919201 /nfs/dbraw/zinc/91/92/01/1045919201.db2.gz ZIXGUUHTWJXGPO-JOCHJYFZSA-N 0 3 334.463 4.233 20 30 EIEDHN N#Cc1ccc(CNc2ccnc3ccc(C(F)(F)F)cc32)s1 ZINC001170202631 1045938511 /nfs/dbraw/zinc/93/85/11/1045938511.db2.gz ADZNIMITSDXSMM-UHFFFAOYSA-N 0 3 333.338 4.221 20 30 EIEDHN CSc1ccc(F)cc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000744448716 1045963834 /nfs/dbraw/zinc/96/38/34/1045963834.db2.gz NHCHZOCLFGUETB-UHFFFAOYSA-N 0 3 343.471 4.187 20 30 EIEDHN N#Cc1ccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1F ZINC000192085384 1046180219 /nfs/dbraw/zinc/18/02/19/1046180219.db2.gz VIRTUJABSOXMEV-INIZCTEOSA-N 0 3 335.382 4.218 20 30 EIEDHN C=CC[C@H](N[C@H](C)c1sc(CCOC)nc1C)c1ccncc1 ZINC000771392094 1046394270 /nfs/dbraw/zinc/39/42/70/1046394270.db2.gz TWRDQSNCVYWKKF-CJNGLKHVSA-N 0 3 331.485 4.003 20 30 EIEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc(C(C)(C)C)cc2)nc(C)n1 ZINC000916880366 1046416638 /nfs/dbraw/zinc/41/66/38/1046416638.db2.gz POXDJUQMHPTNJT-IBWPDUFMSA-N 0 3 333.435 4.281 20 30 EIEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cc2ccccc2o1 ZINC000916907146 1046456381 /nfs/dbraw/zinc/45/63/81/1046456381.db2.gz UXKBTPHMADSLFX-LBPRGKRZSA-N 0 3 338.750 4.047 20 30 EIEDHN N#CC(C(=O)CCCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000916909412 1046458023 /nfs/dbraw/zinc/45/80/23/1046458023.db2.gz AYWOXCQXGDIWOF-HNNXBMFYSA-N 0 3 340.810 4.010 20 30 EIEDHN N#CCSCCCN1CCc2sccc2[C@@H]1c1cccs1 ZINC000080625766 1046734459 /nfs/dbraw/zinc/73/44/59/1046734459.db2.gz UYGREYLMZCBXDM-MRXNPFEDSA-N 0 3 334.535 4.404 20 30 EIEDHN N#CCc1ccc(CN[C@H](c2ccccc2)C2(CO)CCCC2)cc1 ZINC000459528393 1046756537 /nfs/dbraw/zinc/75/65/37/1046756537.db2.gz CAMKBPIQPOCELN-OAQYLSRUSA-N 0 3 334.463 4.136 20 30 EIEDHN CC[C@@H](CC#N)N[C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170468123 1046801143 /nfs/dbraw/zinc/80/11/43/1046801143.db2.gz HAXLSVRZEYXLMZ-LUKYLMHMSA-N 0 3 337.508 4.225 20 30 EIEDHN Cc1cccc(NC(=O)C[C@H](C)N[C@H](CCC#N)c2ccccc2)c1 ZINC000536840549 1046814190 /nfs/dbraw/zinc/81/41/90/1046814190.db2.gz UOMRFJSHUZYPTD-FXAWDEMLSA-N 0 3 335.451 4.347 20 30 EIEDHN COCc1cc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000787034661 1046896040 /nfs/dbraw/zinc/89/60/40/1046896040.db2.gz TWUZZMGYZMJLLL-JLTOFOAXSA-N 0 3 336.435 4.051 20 30 EIEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000537030091 1046907622 /nfs/dbraw/zinc/90/76/22/1046907622.db2.gz YYLZBWOSCMDZRF-YOEHRIQHSA-N 0 3 347.890 4.112 20 30 EIEDHN CC(C)(CCC#N)COC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805948724 1047060127 /nfs/dbraw/zinc/06/01/27/1047060127.db2.gz HYPSUGLIHBXSBQ-UHFFFAOYSA-N 0 3 342.483 4.162 20 30 EIEDHN CCCCCOc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000746742075 1047153774 /nfs/dbraw/zinc/15/37/74/1047153774.db2.gz OMORDZNHTOBEAE-UHFFFAOYSA-N 0 3 338.451 4.426 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806146308 1047170996 /nfs/dbraw/zinc/17/09/96/1047170996.db2.gz MWVQTFOVUOWNHN-WMLDXEAASA-N 0 3 341.842 4.193 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2cc3ccccc3[nH]2)ccc1OC ZINC000788517540 1047212473 /nfs/dbraw/zinc/21/24/73/1047212473.db2.gz CHIGYIGRVWPFAQ-SFHVURJKSA-N 0 3 349.434 4.147 20 30 EIEDHN Cc1ccc(Nc2ccccc2C(=O)C(C#N)c2ccncn2)cc1 ZINC000760339560 1047331890 /nfs/dbraw/zinc/33/18/90/1047331890.db2.gz KEBGOJKDUKFKDL-QGZVFWFLSA-N 0 3 328.375 4.019 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](CC)c2ccc(C(=O)OC)cc2)cc1 ZINC000556194332 1047554435 /nfs/dbraw/zinc/55/44/35/1047554435.db2.gz YJCKWFZSRIYFAA-FQEVSTJZSA-N 0 3 339.435 4.279 20 30 EIEDHN C[C@@H](N[C@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000814249751 1047919676 /nfs/dbraw/zinc/91/96/76/1047919676.db2.gz NCTHMCDOAWOTNB-HZPDHXFCSA-N 0 3 349.434 4.317 20 30 EIEDHN Cc1nn(-c2ccccc2)c(Cl)c1CNCC(C)(C)CCC#N ZINC000808430362 1047941197 /nfs/dbraw/zinc/94/11/97/1047941197.db2.gz WHNIYCFDZSXXBK-UHFFFAOYSA-N 0 3 330.863 4.254 20 30 EIEDHN O=C1C=C2CN(Cc3ccc(C(F)(F)F)cc3Cl)CCC2S1 ZINC001143710352 1048169573 /nfs/dbraw/zinc/16/95/73/1048169573.db2.gz QVHMVDNZQSXZIU-CYBMUJFWSA-N 0 3 347.789 4.133 20 30 EIEDHN C[C@@H](c1ccc(F)c(Cl)c1)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369969 1048296001 /nfs/dbraw/zinc/29/60/01/1048296001.db2.gz PBANUFPJFKXMSN-SGTLLEGYSA-N 0 3 332.806 4.077 20 30 EIEDHN N#Cc1ccc(CN(C[C@@H](O)c2cc3ccccc3o2)C2CC2)cc1 ZINC000815027274 1048308991 /nfs/dbraw/zinc/30/89/91/1048308991.db2.gz BKHCZBXFWKSKGJ-LJQANCHMSA-N 0 3 332.403 4.002 20 30 EIEDHN N#CCOc1ccc(CNC2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000844461651 1048353016 /nfs/dbraw/zinc/35/30/16/1048353016.db2.gz HQSLROPAARNYET-UHFFFAOYSA-N 0 3 346.352 4.387 20 30 EIEDHN N#CCOc1ccc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000844474489 1048357924 /nfs/dbraw/zinc/35/79/24/1048357924.db2.gz RNPRQYDZAKQPLA-FKBYEOEOSA-N 0 3 348.446 4.084 20 30 EIEDHN C#Cc1ccc(CN[C@H](C)c2cccc(OCc3ccccn3)c2)cc1 ZINC000809607729 1048415181 /nfs/dbraw/zinc/41/51/81/1048415181.db2.gz HAQYPMUKWAHSPH-GOSISDBHSA-N 0 3 342.442 4.493 20 30 EIEDHN C#Cc1ccc(CNCc2ccc(Oc3cccnc3)c(F)c2)cc1 ZINC000809609767 1048418997 /nfs/dbraw/zinc/41/89/97/1048418997.db2.gz OBGJVSMCHAHJAR-UHFFFAOYSA-N 0 3 332.378 4.284 20 30 EIEDHN CCO[C@@H](C(=O)C(C#N)c1ccc2ccccc2n1)c1ccccc1 ZINC000920324960 1048647639 /nfs/dbraw/zinc/64/76/39/1048647639.db2.gz SJMFHGJIIXWWOI-LAUBAEHRSA-N 0 3 330.387 4.189 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cc(F)ccc1Br ZINC001171184134 1048673556 /nfs/dbraw/zinc/67/35/56/1048673556.db2.gz KDEODQHDBKDFDM-GFCCVEGCSA-N 0 3 347.231 4.181 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cc(F)ccc1Br ZINC001171184135 1048674308 /nfs/dbraw/zinc/67/43/08/1048674308.db2.gz KDEODQHDBKDFDM-LBPRGKRZSA-N 0 3 347.231 4.181 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@@H](c1ccccc1)c1ccccn1 ZINC001171186594 1048677927 /nfs/dbraw/zinc/67/79/27/1048677927.db2.gz XDECUUWZVAWKOM-JTSKRJEESA-N 0 3 327.431 4.263 20 30 EIEDHN COc1ccc2cc(NC(=N)c3ccc4cc(O)ccc4c3)ccc2n1 ZINC001171185520 1048684195 /nfs/dbraw/zinc/68/41/95/1048684195.db2.gz ZILGEJNQXMQPAT-UHFFFAOYSA-N 0 3 343.386 4.139 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(Br)nc2)cc1 ZINC000810241316 1048724298 /nfs/dbraw/zinc/72/42/98/1048724298.db2.gz RJVVMGJEZLLQDQ-ZDUSSCGKSA-N 0 3 347.256 4.260 20 30 EIEDHN C#Cc1ccc(CN2CCC(Oc3ccc(C)cc3OC)CC2)cc1 ZINC001144576530 1048735188 /nfs/dbraw/zinc/73/51/88/1048735188.db2.gz MFWSXCLHVCZHDS-UHFFFAOYSA-N 0 3 335.447 4.028 20 30 EIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN1CC(C)C ZINC001135487001 1048747149 /nfs/dbraw/zinc/74/71/49/1048747149.db2.gz NLOYXTNFBXRIGT-HNNXBMFYSA-N 0 3 340.920 4.037 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC(C#N)(c2ccccc2)CC1 ZINC001171203053 1048776804 /nfs/dbraw/zinc/77/68/04/1048776804.db2.gz IJCMWDKDQUHXCA-GOSISDBHSA-N 0 3 329.447 4.047 20 30 EIEDHN N#Cc1ccc(CNCc2ccc(COc3ccccc3)cc2)cc1 ZINC000075802373 1048780312 /nfs/dbraw/zinc/78/03/12/1048780312.db2.gz GKKMDRPTDYXGFM-UHFFFAOYSA-N 0 3 328.415 4.427 20 30 EIEDHN CCOc1cccc(/C=N\C[C@H](c2ccc(CC)cc2)N(C)C)c1O ZINC000920944294 1048817548 /nfs/dbraw/zinc/81/75/48/1048817548.db2.gz AMCWKGPZTCYUEK-HBEGMLAUSA-N 0 3 340.467 4.075 20 30 EIEDHN CCC[C@H](C(=O)C(C#N)c1nc(C(C)C)cs1)c1ccccn1 ZINC000810606394 1048831956 /nfs/dbraw/zinc/83/19/56/1048831956.db2.gz WVRQYBNDDIZRLH-KBPBESRZSA-N 0 3 327.453 4.422 20 30 EIEDHN CN(Cc1ccccc1)Cc1cccc(C(=O)OC2(CC#N)CCC2)c1 ZINC000810858956 1048887185 /nfs/dbraw/zinc/88/71/85/1048887185.db2.gz SNGJNTVUSXDDKI-UHFFFAOYSA-N 0 3 348.446 4.312 20 30 EIEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)(C)C ZINC001170623458 1048933970 /nfs/dbraw/zinc/93/39/70/1048933970.db2.gz QLRIVMFTNXCWAH-UHFFFAOYSA-N 0 3 344.503 4.151 20 30 EIEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000175058986 1049074338 /nfs/dbraw/zinc/07/43/38/1049074338.db2.gz QBRWEZIQFBIBEN-INIZCTEOSA-N 0 3 338.407 4.156 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@H]2C(C)C)c1 ZINC000609767207 1049309739 /nfs/dbraw/zinc/30/97/39/1049309739.db2.gz TTYVZJOSMRQCEY-FQEVSTJZSA-N 0 3 341.499 4.061 20 30 EIEDHN COc1ccc(CN[C@@H]2CCCOc3c(C)cc(C)cc32)cc1C#N ZINC000773079298 1049570220 /nfs/dbraw/zinc/57/02/20/1049570220.db2.gz YLJALPZWLMCJGT-LJQANCHMSA-N 0 3 336.435 4.187 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2cc3c(s2)CCCC3)cc1C#N ZINC000773081664 1049571661 /nfs/dbraw/zinc/57/16/61/1049571661.db2.gz FRHJEFISKTWCCB-ZDUSSCGKSA-N 0 3 326.465 4.358 20 30 EIEDHN COc1ccc(CN[C@H](C)c2cc3c(s2)CCCC3)cc1C#N ZINC000773081663 1049571762 /nfs/dbraw/zinc/57/17/62/1049571762.db2.gz FRHJEFISKTWCCB-CYBMUJFWSA-N 0 3 326.465 4.358 20 30 EIEDHN CCN(CC)Cc1cccc(NCCOc2ccc(C#N)cc2)c1F ZINC001171483949 1049716736 /nfs/dbraw/zinc/71/67/36/1049716736.db2.gz CSQHUCAWYWTSDU-UHFFFAOYSA-N 0 3 341.430 4.030 20 30 EIEDHN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(C#N)cc1 ZINC000179727585 1049732870 /nfs/dbraw/zinc/73/28/70/1049732870.db2.gz IXYXARYCQVHKHQ-QKKBWIMNSA-N 0 3 334.419 4.131 20 30 EIEDHN CCCC1(CNCC2(C#N)CCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822489721 1049762861 /nfs/dbraw/zinc/76/28/61/1049762861.db2.gz IOMILEAMKUQXAM-UHFFFAOYSA-N 0 3 349.519 4.087 20 30 EIEDHN C=C(C)COc1cccc(NC(=O)[C@H]2CCCCN2C2CCCC2)c1 ZINC001136596609 1049772644 /nfs/dbraw/zinc/77/26/44/1049772644.db2.gz NBRZWKGWAVBKSL-HXUWFJFHSA-N 0 3 342.483 4.377 20 30 EIEDHN C=CC[C@@H]1CCCN(Cc2nc3ccc(Br)cc3o2)C1 ZINC001171846757 1049812808 /nfs/dbraw/zinc/81/28/08/1049812808.db2.gz DOSAOQCLZPPOPA-GFCCVEGCSA-N 0 3 335.245 4.378 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cc(F)ccc1Br ZINC001172303104 1049873648 /nfs/dbraw/zinc/87/36/48/1049873648.db2.gz VMOODZXWRLRGMS-GFCCVEGCSA-N 0 3 347.231 4.181 20 30 EIEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(F)c(Br)c1 ZINC000037748929 1049913704 /nfs/dbraw/zinc/91/37/04/1049913704.db2.gz NCJBXDMVXUCMKT-NSHDSACASA-N 0 3 333.204 4.311 20 30 EIEDHN CC(C)C[C@@H](C(=O)OCc1ccccc1)N(C)[C@H](C)CCCC#N ZINC001172497529 1049922183 /nfs/dbraw/zinc/92/21/83/1049922183.db2.gz CLMAABNSWYRWON-MJGOQNOKSA-N 0 3 330.472 4.159 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCC1(c2ccccc2C)CC1 ZINC001177604063 1050263637 /nfs/dbraw/zinc/26/36/37/1050263637.db2.gz GOVHHJCZWSDYFU-UHFFFAOYSA-N 0 3 339.866 4.482 20 30 EIEDHN C=CCc1cc(CN(CCC(F)(F)F)CC2CC2)cc(OC)c1O ZINC000091901550 1050288926 /nfs/dbraw/zinc/28/89/26/1050288926.db2.gz BZHXQRDIMBHSKB-UHFFFAOYSA-N 0 3 343.389 4.294 20 30 EIEDHN C=CC[C@H]1N(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1(C)C ZINC000618327849 1050343953 /nfs/dbraw/zinc/34/39/53/1050343953.db2.gz ODJLRJGJPLFYOK-MRXNPFEDSA-N 0 3 329.400 4.303 20 30 EIEDHN C=CCOC1CCC(N2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001173327783 1050420554 /nfs/dbraw/zinc/42/05/54/1050420554.db2.gz RREVDYNTAOQWHR-ACBHZAAOSA-N 0 3 335.488 4.429 20 30 EIEDHN C=CCOC1CCC(NCc2c(F)cccc2Br)CC1 ZINC001173317899 1050441560 /nfs/dbraw/zinc/44/15/60/1050441560.db2.gz QAVLNGQIQOJTBE-UHFFFAOYSA-N 0 3 342.252 4.192 20 30 EIEDHN C=CCc1cc(CN[C@H](C)c2ccc3c(c2)CCC3)cc(OC)c1O ZINC001178386750 1050451815 /nfs/dbraw/zinc/45/18/15/1050451815.db2.gz KFTRRBNZWCIYFG-OAHLLOKOSA-N 0 3 337.463 4.469 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618805301 1050532421 /nfs/dbraw/zinc/53/24/21/1050532421.db2.gz GAIPHZGJGTXYMP-PMACEKPBSA-N 0 3 333.391 4.121 20 30 EIEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000618805108 1050532918 /nfs/dbraw/zinc/53/29/18/1050532918.db2.gz CXTYONXIIPFDST-YJYMSZOUSA-N 0 3 345.446 4.126 20 30 EIEDHN N#Cc1cccc(OC2CCN(Cc3ccc4cnccc4c3)CC2)c1 ZINC000618809489 1050537082 /nfs/dbraw/zinc/53/70/82/1050537082.db2.gz YCMJZCHKBJQOPZ-UHFFFAOYSA-N 0 3 343.430 4.150 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC[C@@H](C)SC)cc1 ZINC000773770656 1050555704 /nfs/dbraw/zinc/55/57/04/1050555704.db2.gz OVYHBECWOSVOJO-VBQJREDUSA-N 0 3 346.496 4.379 20 30 EIEDHN C#Cc1ccc(CNC2(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC001179039593 1050613369 /nfs/dbraw/zinc/61/33/69/1050613369.db2.gz KHDFWHLXFZDECQ-UHFFFAOYSA-N 0 3 331.337 4.345 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCCC[C@H]1CC1(Cl)Cl ZINC001179053728 1050617168 /nfs/dbraw/zinc/61/71/68/1050617168.db2.gz NQFSOGBAQXRFDJ-LBPRGKRZSA-N 0 3 346.685 4.416 20 30 EIEDHN C=CCOc1cccc(CN[C@]2(CO)CC[C@H](C)c3ccccc32)c1 ZINC001179789016 1050777636 /nfs/dbraw/zinc/77/76/36/1050777636.db2.gz LMGWTAXAQWOEQJ-JTSKRJEESA-N 0 3 337.463 4.126 20 30 EIEDHN C=CCOc1cccc(CN[C@]2(CO)CC[C@@H](C)c3ccccc32)c1 ZINC001179789018 1050777679 /nfs/dbraw/zinc/77/76/79/1050777679.db2.gz LMGWTAXAQWOEQJ-VGSWGCGISA-N 0 3 337.463 4.126 20 30 EIEDHN COc1ccc(C(N[C@H]2CC[C@H](C#N)C2)c2ccc(OC)cc2)cc1 ZINC000619672386 1050852122 /nfs/dbraw/zinc/85/21/22/1050852122.db2.gz NPVNQARBWAUHIJ-YJBOKZPZSA-N 0 3 336.435 4.075 20 30 EIEDHN CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000619755689 1050882709 /nfs/dbraw/zinc/88/27/09/1050882709.db2.gz PJOASWORQWTORA-KRWDZBQOSA-N 0 3 342.826 4.224 20 30 EIEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1OC1CC1 ZINC001180317719 1050950212 /nfs/dbraw/zinc/95/02/12/1050950212.db2.gz MSYKWQMJSPYHRB-UHFFFAOYSA-N 0 3 348.446 4.273 20 30 EIEDHN C=CCN(CCc1ccccc1)Cc1cc(C)c(Br)cn1 ZINC001180279541 1050953874 /nfs/dbraw/zinc/95/38/74/1050953874.db2.gz BMPCJXGEOZJXIF-UHFFFAOYSA-N 0 3 345.284 4.383 20 30 EIEDHN C#CCN(Cc1ccc(O[C@@H](C)COC)cc1)[C@@H]1CCc2ccccc21 ZINC001180296816 1050959126 /nfs/dbraw/zinc/95/91/26/1050959126.db2.gz MBZRDBRSXQPKEX-FDDCHVKYSA-N 0 3 349.474 4.223 20 30 EIEDHN Cc1ccccc1[C@@H](CC(C)C)NCC(=O)Nc1sccc1C#N ZINC000183248029 1051040638 /nfs/dbraw/zinc/04/06/38/1051040638.db2.gz BVOYCMINJKPRCR-QGZVFWFLSA-N 0 3 341.480 4.244 20 30 EIEDHN CCCN(CC(=O)Nc1cccc(C#N)c1)[C@@H](CC)c1ccccc1 ZINC001190582341 1051224719 /nfs/dbraw/zinc/22/47/19/1051224719.db2.gz WLOGVYWEVNURQO-FQEVSTJZSA-N 0 3 335.451 4.360 20 30 EIEDHN CCCOc1cccc(CN2CCC(Nc3ccccc3C#N)CC2)c1 ZINC001174983149 1051305011 /nfs/dbraw/zinc/30/50/11/1051305011.db2.gz DNOOTMLNRPYDMB-UHFFFAOYSA-N 0 3 349.478 4.424 20 30 EIEDHN CO[C@@H](CN1CCc2c(CC#N)cccc2C1)c1ccc(Cl)cc1 ZINC001175062898 1051314887 /nfs/dbraw/zinc/31/48/87/1051314887.db2.gz VOKDLWZJNATYDF-FQEVSTJZSA-N 0 3 340.854 4.152 20 30 EIEDHN Clc1ccccc1C#CCN[C@@H](c1ccccc1)C1CCOCC1 ZINC000775437825 1051353626 /nfs/dbraw/zinc/35/36/26/1051353626.db2.gz DPLDZHDDYSFGCW-NRFANRHFSA-N 0 3 339.866 4.449 20 30 EIEDHN CCCCN(CC)[C@@H](C(=O)N[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC001182230824 1051430628 /nfs/dbraw/zinc/43/06/28/1051430628.db2.gz FFIRQFUUOBAROG-LEWJYISDSA-N 0 3 349.478 4.231 20 30 EIEDHN CCCCN(CC)[C@H](C(=O)N[C@@](C)(C#N)CC(C)C)c1ccccc1 ZINC001182234833 1051432702 /nfs/dbraw/zinc/43/27/02/1051432702.db2.gz GPJROZXWYQAHKE-PZJWPPBQSA-N 0 3 343.515 4.294 20 30 EIEDHN C#CCCN[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000775529966 1051741322 /nfs/dbraw/zinc/74/13/22/1051741322.db2.gz PCBHIXVEJVXGKP-LJQANCHMSA-N 0 3 338.451 4.019 20 30 EIEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC001175781525 1051784039 /nfs/dbraw/zinc/78/40/39/1051784039.db2.gz HFZHFRHETHWOPA-UHFFFAOYSA-N 0 3 340.858 4.097 20 30 EIEDHN C[C@@H]1CCC[C@@H](C2CN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)C1 ZINC001183443835 1051844421 /nfs/dbraw/zinc/84/44/21/1051844421.db2.gz JXLXXHLDAONQRU-VQIMIIECSA-N 0 3 348.494 4.217 20 30 EIEDHN C[C@H]1CCC[C@@H](C2CN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)C1 ZINC001183443833 1051844921 /nfs/dbraw/zinc/84/49/21/1051844921.db2.gz JXLXXHLDAONQRU-QFBILLFUSA-N 0 3 348.494 4.217 20 30 EIEDHN CC(C)[C@H](CN1CCO[C@H](c2ccc(C#N)cc2)C1)c1ccccc1 ZINC001184044984 1051944664 /nfs/dbraw/zinc/94/46/64/1051944664.db2.gz GTAJJGDUYHNBIX-VXKWHMMOSA-N 0 3 334.463 4.371 20 30 EIEDHN N#Cc1ccc(C2=CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000774765380 1052060233 /nfs/dbraw/zinc/06/02/33/1052060233.db2.gz LNXFTUFUEZMMHM-HXUWFJFHSA-N 0 3 338.838 4.034 20 30 EIEDHN C[C@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001194262258 1052118831 /nfs/dbraw/zinc/11/88/31/1052118831.db2.gz LPCOALPPVVUOFW-NRFANRHFSA-N 0 3 349.434 4.410 20 30 EIEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCOC23CCCCC3)cc1 ZINC001176760639 1052193165 /nfs/dbraw/zinc/19/31/65/1052193165.db2.gz CMCPIJZWKKDZIC-KRWDZBQOSA-N 0 3 337.385 4.138 20 30 EIEDHN CC[C@H]1CN(c2ccccc2)CCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000764679841 1053267631 /nfs/dbraw/zinc/26/76/31/1053267631.db2.gz XCTGGTVQLLKRET-QUCCMNQESA-N 0 3 349.478 4.078 20 30 EIEDHN C=CCC[C@H](NC[C@H](O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000850581200 1053332697 /nfs/dbraw/zinc/33/26/97/1053332697.db2.gz VDROTVIMUGNQAI-GJZGRUSLSA-N 0 3 325.330 4.027 20 30 EIEDHN Cc1c(Cl)cccc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000865628029 1053562074 /nfs/dbraw/zinc/56/20/74/1053562074.db2.gz LYASHBBHRYLFQE-UHFFFAOYSA-N 0 3 340.854 4.316 20 30 EIEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc2sc(C)c(C)c2c(N)n1 ZINC001196056504 1053564655 /nfs/dbraw/zinc/56/46/55/1053564655.db2.gz KUDGSCPPGUUJRO-UONOGXRCSA-N 0 3 330.501 4.115 20 30 EIEDHN CC[C@H]1Oc2cc([C@@H](C)N[C@@H](C)c3ccc(C#N)cc3)ccc2NC1=O ZINC000173227184 1053580007 /nfs/dbraw/zinc/58/00/07/1053580007.db2.gz GFXWCTDKZQHLHV-IQUTYRLHSA-N 0 3 349.434 4.080 20 30 EIEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000853095073 1053644532 /nfs/dbraw/zinc/64/45/32/1053644532.db2.gz RANSRYHBVZMJQL-KRWDZBQOSA-N 0 3 335.447 4.265 20 30 EIEDHN N#Cc1cc(Cl)cc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC001196920726 1053801902 /nfs/dbraw/zinc/80/19/02/1053801902.db2.gz ZNUBJBDBYHNAEU-MSOLQXFVSA-N 0 3 347.245 4.485 20 30 EIEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCCn3nccc32)cc1 ZINC000866632899 1053811254 /nfs/dbraw/zinc/81/12/54/1053811254.db2.gz PVODJXIDYXUBCD-WMLDXEAASA-N 0 3 331.847 4.200 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2ccccc2N2CCCC2)cc1 ZINC000121231603 1053824662 /nfs/dbraw/zinc/82/46/62/1053824662.db2.gz NSFVDNZIGPZMAJ-GOSISDBHSA-N 0 3 349.478 4.210 20 30 EIEDHN COc1ccccc1[C@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC001197212101 1053854242 /nfs/dbraw/zinc/85/42/42/1053854242.db2.gz GRHQTWIWPLHJIS-IBGZPJMESA-N 0 3 337.438 4.456 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(F)c(C)c2)ccc1OC ZINC000113348231 1053926408 /nfs/dbraw/zinc/92/64/08/1053926408.db2.gz KLNHIBANULPQCB-QGZVFWFLSA-N 0 3 342.414 4.114 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C)(C)c1ccc(F)cc1 ZINC000870115056 1054060655 /nfs/dbraw/zinc/06/06/55/1054060655.db2.gz ACTBMWIUGPDCQL-INIZCTEOSA-N 0 3 349.409 4.257 20 30 EIEDHN COC(=O)c1cc(CN2CCC(c3ccc(C#N)cc3)CC2)ccc1C ZINC001198210146 1054097982 /nfs/dbraw/zinc/09/79/82/1054097982.db2.gz FUTLMFUQSXTRBH-UHFFFAOYSA-N 0 3 348.446 4.033 20 30 EIEDHN COCC1(C(=O)C(C#N)c2nc3ccccc3s2)CCCCC1 ZINC000857009523 1054150511 /nfs/dbraw/zinc/15/05/11/1054150511.db2.gz GTVPPBOLWVFVPY-CYBMUJFWSA-N 0 3 328.437 4.069 20 30 EIEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023833 1054403887 /nfs/dbraw/zinc/40/38/87/1054403887.db2.gz RDKYKXBKCXPMFJ-OAQYLSRUSA-N 0 3 347.462 4.183 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024019 1054404295 /nfs/dbraw/zinc/40/42/95/1054404295.db2.gz SYYUZMZUKUGYTQ-IERDGZPVSA-N 0 3 347.462 4.435 20 30 EIEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(C(F)(F)F)nc1 ZINC000872130977 1054406258 /nfs/dbraw/zinc/40/62/58/1054406258.db2.gz NWLLMYQLTVNFPX-MEDUHNTESA-N 0 3 331.341 4.310 20 30 EIEDHN N#Cc1ccccc1OC1CCN(Cc2c[nH]c3c2cccc3F)CC1 ZINC001137059354 1054442755 /nfs/dbraw/zinc/44/27/55/1054442755.db2.gz YASZZCUXYSGCMF-UHFFFAOYSA-N 0 3 349.409 4.222 20 30 EIEDHN C[C@@H](c1ccccc1)N(Cc1ccnc(C#N)c1)Cc1ccccc1O ZINC000776012034 1054445032 /nfs/dbraw/zinc/44/50/32/1054445032.db2.gz WQRVWBZGGZULPG-KRWDZBQOSA-N 0 3 343.430 4.422 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccccc2CC(F)(F)F)cc1 ZINC000858330247 1054466926 /nfs/dbraw/zinc/46/69/26/1054466926.db2.gz MGBZBVDTXCDWEQ-AWEZNQCLSA-N 0 3 348.368 4.372 20 30 EIEDHN C(#CC1CCN(Cc2ccc(N3CCCC3)o2)CC1)c1ccccc1 ZINC001137071064 1054526185 /nfs/dbraw/zinc/52/61/85/1054526185.db2.gz ZLRFSZMJZDQRCG-UHFFFAOYSA-N 0 3 334.463 4.144 20 30 EIEDHN COc1cc([C@@H](C)NCc2ccc(C)c(C#N)c2)ccc1OC(F)F ZINC000859228610 1054646711 /nfs/dbraw/zinc/64/67/11/1054646711.db2.gz SWKXNHKAXMPMPN-CYBMUJFWSA-N 0 3 346.377 4.328 20 30 EIEDHN Cc1ccc(CN(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1C#N ZINC000859283427 1054657957 /nfs/dbraw/zinc/65/79/57/1054657957.db2.gz VTWMSSANDOPKBM-INIZCTEOSA-N 0 3 349.434 4.016 20 30 EIEDHN C=CCc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(OC)c1OC ZINC000776164548 1054780563 /nfs/dbraw/zinc/78/05/63/1054780563.db2.gz SOXDBQICWWPRKE-OAHLLOKOSA-N 0 3 336.435 4.155 20 30 EIEDHN N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(C#N)c1 ZINC001201481641 1054832822 /nfs/dbraw/zinc/83/28/22/1054832822.db2.gz LEESNGHTVNBDRL-RTWAWAEBSA-N 0 3 340.430 4.163 20 30 EIEDHN CCCCCCCCN1CCCn2cnc(COCC3CC3)c2C1 ZINC001201825994 1054925034 /nfs/dbraw/zinc/92/50/34/1054925034.db2.gz KPLOXLNDBBATCL-UHFFFAOYSA-N 0 3 333.520 4.376 20 30 EIEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1CC[C@H](C)CCC=C(C)C ZINC001201970766 1054974826 /nfs/dbraw/zinc/97/48/26/1054974826.db2.gz BHQXRQLRIUOJBX-QUCCMNQESA-N 0 3 345.531 4.295 20 30 EIEDHN N#Cc1cnc(Cl)c(CNCCCSc2ccc(F)cc2)c1 ZINC000876890903 1054978259 /nfs/dbraw/zinc/97/82/59/1054978259.db2.gz LMMQVLVNUABEJP-UHFFFAOYSA-N 0 3 335.835 4.018 20 30 EIEDHN COc1cccc([C@@H]2CCCCN2Cc2ccc(OCC#N)cc2)c1 ZINC001137119605 1055043403 /nfs/dbraw/zinc/04/34/03/1055043403.db2.gz ZAMRUATWAVJDAO-NRFANRHFSA-N 0 3 336.435 4.325 20 30 EIEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000339043087 1055102545 /nfs/dbraw/zinc/10/25/45/1055102545.db2.gz NZPYTLHGTYSPFM-IJLUTSLNSA-N 0 3 329.391 4.034 20 30 EIEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000339043088 1055103815 /nfs/dbraw/zinc/10/38/15/1055103815.db2.gz NZPYTLHGTYSPFM-UTUOFQBUSA-N 0 3 329.391 4.034 20 30 EIEDHN CN(C)Cc1cccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1 ZINC000073491430 1055311887 /nfs/dbraw/zinc/31/18/87/1055311887.db2.gz ADASVXVVZPNWJU-HXUWFJFHSA-N 0 3 349.478 4.040 20 30 EIEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)c(C)c1OC ZINC000347653592 1055789580 /nfs/dbraw/zinc/78/95/80/1055789580.db2.gz OFBJRPHBCIJAFI-UHFFFAOYSA-N 0 3 336.435 4.049 20 30 EIEDHN C[C@H](CNc1cc(C#N)nc2ccccc21)N1CCc2sccc2C1 ZINC000301345080 1055924524 /nfs/dbraw/zinc/92/45/24/1055924524.db2.gz KCMOHYOVKRWQSO-CQSZACIVSA-N 0 3 348.475 4.027 20 30 EIEDHN Cc1ccc([C@@H](CNc2c(C#N)cnc3ccccc32)N2CCCC2)o1 ZINC000301405980 1055932865 /nfs/dbraw/zinc/93/28/65/1055932865.db2.gz LTCDKBWHEPOOBF-LJQANCHMSA-N 0 3 346.434 4.257 20 30 EIEDHN CC(=O)c1ccc(C#N)c(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000302099609 1056017214 /nfs/dbraw/zinc/01/72/14/1056017214.db2.gz KTEIFSMHURERNL-HRAATJIYSA-N 0 3 347.462 4.083 20 30 EIEDHN CC(=O)c1ccc(C#N)c(NC2CCN([C@H](C)c3ccccc3)CC2)c1 ZINC000302116561 1056018905 /nfs/dbraw/zinc/01/89/05/1056018905.db2.gz RUYOCSIYLNBQEM-MRXNPFEDSA-N 0 3 347.462 4.398 20 30 EIEDHN C[C@@]1(CNc2snc(Cl)c2C#N)CCCN1Cc1ccccc1 ZINC000302377862 1056042005 /nfs/dbraw/zinc/04/20/05/1056042005.db2.gz GELYLTDBJSFHPY-KRWDZBQOSA-N 0 3 346.887 4.135 20 30 EIEDHN C=CCSCCN[C@H]1CCc2c1c(Br)ccc2F ZINC000542827054 1056150219 /nfs/dbraw/zinc/15/02/19/1056150219.db2.gz NEYMEKCNODFOGL-ZDUSSCGKSA-N 0 3 330.266 4.084 20 30 EIEDHN CCCOc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000542830763 1056163055 /nfs/dbraw/zinc/16/30/55/1056163055.db2.gz OAKNOCJZYNNFDX-UHFFFAOYSA-N 0 3 349.478 4.424 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000304224031 1056391664 /nfs/dbraw/zinc/39/16/64/1056391664.db2.gz FVQWDLLPWFFFKD-VFNWGFHPSA-N 0 3 338.426 4.204 20 30 EIEDHN C[C@H]1CCc2c(C(=O)C(C#N)c3nc4ccccc4[nH]3)csc2C1 ZINC000072591289 1056429891 /nfs/dbraw/zinc/42/98/91/1056429891.db2.gz XZYMQJQEQNHTSI-WCQYABFASA-N 0 3 335.432 4.239 20 30 EIEDHN Cc1c(CN2CCSCC2)cccc1NCc1csc(C#N)c1 ZINC000921888673 1056812628 /nfs/dbraw/zinc/81/26/28/1056812628.db2.gz VNIDLBOKCCUGLJ-UHFFFAOYSA-N 0 3 343.521 4.089 20 30 EIEDHN COc1cc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccn1 ZINC000542945361 1056829248 /nfs/dbraw/zinc/82/92/48/1056829248.db2.gz QRGNOIQNYCUJRJ-MRXNPFEDSA-N 0 3 343.430 4.480 20 30 EIEDHN N#Cc1ccc(F)c(CNCc2cc(-c3ccccc3)ccc2O)c1 ZINC000742381973 1058583028 /nfs/dbraw/zinc/58/30/28/1058583028.db2.gz VOWWTHYYNZHBBG-UHFFFAOYSA-N 0 3 332.378 4.360 20 30 EIEDHN N#Cc1ccc(F)c(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000742381973 1058583049 /nfs/dbraw/zinc/58/30/49/1058583049.db2.gz VOWWTHYYNZHBBG-UHFFFAOYSA-N 0 3 332.378 4.360 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H](C)c2ccco2)cc1 ZINC000744033335 1059236297 /nfs/dbraw/zinc/23/62/97/1059236297.db2.gz PIBWNIAXRSCJRY-JJRVBVJISA-N 0 3 338.407 4.244 20 30 EIEDHN N#Cc1cccc(CN(Cc2ccccc2)C[C@@H](O)c2ccccc2)c1 ZINC000746157945 1060051302 /nfs/dbraw/zinc/05/13/02/1060051302.db2.gz YPQMZGMVGXXMDC-HSZRJFAPSA-N 0 3 342.442 4.294 20 30 EIEDHN N#Cc1ccc(NC(=O)CN[C@H](c2ccccc2)C2CCCC2)cc1 ZINC000533386231 1032722124 /nfs/dbraw/zinc/72/21/24/1032722124.db2.gz KUZTWNNNYYZLGF-OAQYLSRUSA-N 0 3 333.435 4.018 20 30 EIEDHN C[C@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000154343222 1019732038 /nfs/dbraw/zinc/73/20/38/1019732038.db2.gz BKWBCFQOGYQWSR-HOTGVXAUSA-N 0 3 333.435 4.097 20 30 EIEDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000339657956 1019782319 /nfs/dbraw/zinc/78/23/19/1019782319.db2.gz JHQBNFMGIBULTQ-SFHVURJKSA-N 0 3 348.425 4.020 20 30 EIEDHN CCCOCc1ccccc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000236893234 1032866461 /nfs/dbraw/zinc/86/64/61/1032866461.db2.gz SERXJHVIKRQUBI-KRWDZBQOSA-N 0 3 338.451 4.194 20 30 EIEDHN N#CCCCOc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000180029041 1020034714 /nfs/dbraw/zinc/03/47/14/1020034714.db2.gz QVZTXDSGGFWGSX-UHFFFAOYSA-N 0 3 345.446 4.405 20 30 EIEDHN C#CCN(CCOc1ccc(F)cc1Cl)[C@@H]1CCc2ccccc21 ZINC001167179247 1020489496 /nfs/dbraw/zinc/48/94/96/1020489496.db2.gz XEBOHVCCRFJPEM-LJQANCHMSA-N 0 3 343.829 4.481 20 30 EIEDHN C[C@@H](CN1CCN(c2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC001167288042 1020866372 /nfs/dbraw/zinc/86/63/72/1020866372.db2.gz WXEPOPDTOXZZQV-INIZCTEOSA-N 0 3 329.463 4.036 20 30 EIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000048712305 1021246869 /nfs/dbraw/zinc/24/68/69/1021246869.db2.gz CIKHSUPLQUICRC-QGZVFWFLSA-N 0 3 343.430 4.383 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000187593988 1021706467 /nfs/dbraw/zinc/70/64/67/1021706467.db2.gz GOVCMURPUTYCKT-HOCLYGCPSA-N 0 3 342.389 4.245 20 30 EIEDHN N#Cc1cccc(C2(NCCOc3ccccc3C(F)(F)F)CC2)c1 ZINC000580055306 1021710265 /nfs/dbraw/zinc/71/02/65/1021710265.db2.gz PEBMIVQKGIWLEH-UHFFFAOYSA-N 0 3 346.352 4.235 20 30 EIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(-c3ccncc3)cc1)CC2 ZINC000581280562 1021840909 /nfs/dbraw/zinc/84/09/09/1021840909.db2.gz TYOLJNUUBUWYAA-QFIPXVFZSA-N 0 3 325.415 4.397 20 30 EIEDHN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)c1nc2ccccc2n1C(F)F ZINC000892538175 1021857457 /nfs/dbraw/zinc/85/74/57/1021857457.db2.gz JEWQYQHZQXYWFA-AVGNSLFASA-N 0 3 329.350 4.044 20 30 EIEDHN CCCSCC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544627 1021889223 /nfs/dbraw/zinc/88/92/23/1021889223.db2.gz FIPGRMLIAOXGOA-CQSZACIVSA-N 0 3 341.461 4.001 20 30 EIEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(OC(F)F)cc1OC(F)F ZINC000414161593 1022000697 /nfs/dbraw/zinc/00/06/97/1022000697.db2.gz FSFPLZCCSMTGOL-SNVBAGLBSA-N 0 3 348.340 4.480 20 30 EIEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc2ccccc2c1 ZINC000175942772 1022001754 /nfs/dbraw/zinc/00/17/54/1022001754.db2.gz MJTBLPGRBHAUNJ-QRWLVFNGSA-N 0 3 348.446 4.101 20 30 EIEDHN CC(C)(C#N)CCCCN1CCN(c2cncc3ccccc32)CC1 ZINC000549035197 1022184980 /nfs/dbraw/zinc/18/49/80/1022184980.db2.gz VVWIJDMPXLCJPM-UHFFFAOYSA-N 0 3 336.483 4.077 20 30 EIEDHN CCN(CC)[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccsc1 ZINC000341398393 1022451906 /nfs/dbraw/zinc/45/19/06/1022451906.db2.gz PDISMHBGZTULMY-KRWDZBQOSA-N 0 3 344.440 4.023 20 30 EIEDHN C=CCC[C@H](O)CN1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000472939471 1022500932 /nfs/dbraw/zinc/50/09/32/1022500932.db2.gz MLKKBRFJBMTMQK-RBBKRZOGSA-N 0 3 337.463 4.122 20 30 EIEDHN CCCCCCCCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000275990164 1022562091 /nfs/dbraw/zinc/56/20/91/1022562091.db2.gz OTNYWHFXZHDFSC-HXUWFJFHSA-N 0 3 345.531 4.113 20 30 EIEDHN N#CC(C(=O)c1cccc(Oc2ccc(Cl)cc2)c1)c1ccncn1 ZINC000545446869 1022686653 /nfs/dbraw/zinc/68/66/53/1022686653.db2.gz XVZYBTPIFVRNEZ-QGZVFWFLSA-N 0 3 349.777 4.412 20 30 EIEDHN COc1ccc(CNCc2ccc(Cl)cc2)cc1OCCCC#N ZINC000064613430 1022822945 /nfs/dbraw/zinc/82/29/45/1022822945.db2.gz NOMAJUHUSXNLIY-UHFFFAOYSA-N 0 3 344.842 4.321 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2sc3ccc(F)cc3c2C)CC1 ZINC000106034736 1022848781 /nfs/dbraw/zinc/84/87/81/1022848781.db2.gz ZCCYFDIGPDWSHH-UHFFFAOYSA-N 0 3 346.471 4.119 20 30 EIEDHN CC(C)(NCc1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000188901437 1022954668 /nfs/dbraw/zinc/95/46/68/1022954668.db2.gz VQJUNUSQNXXZAS-UHFFFAOYSA-N 0 3 334.341 4.482 20 30 EIEDHN COc1cc(CNCc2ccc(C(F)(F)F)c(C)c2)ccc1C#N ZINC000414455974 1023088929 /nfs/dbraw/zinc/08/89/29/1023088929.db2.gz QDHYOQWZVFGVAI-UHFFFAOYSA-N 0 3 334.341 4.184 20 30 EIEDHN COCc1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430587764 1023122804 /nfs/dbraw/zinc/12/28/04/1023122804.db2.gz AGVIMJRHKUSTMB-CQSZACIVSA-N 0 3 328.437 4.077 20 30 EIEDHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000181449662 1023131374 /nfs/dbraw/zinc/13/13/74/1023131374.db2.gz LNEJWKGGTOUQTH-ZTFGCOKTSA-N 0 3 338.455 4.159 20 30 EIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC(F)F)cc2)cc1 ZINC000178281757 1023322074 /nfs/dbraw/zinc/32/20/74/1023322074.db2.gz NOBBGOQTRHPVHQ-AWEZNQCLSA-N 0 3 331.362 4.151 20 30 EIEDHN C=CCCOCCN[C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000090883798 1023611958 /nfs/dbraw/zinc/61/19/58/1023611958.db2.gz QXFGCYOOAKRFQP-OAHLLOKOSA-N 0 3 330.497 4.286 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(C3(C#N)CC3)cc2)s1 ZINC000430644002 1023623541 /nfs/dbraw/zinc/62/35/41/1023623541.db2.gz SOZXSXLKZOMGOH-OAHLLOKOSA-N 0 3 349.459 4.486 20 30 EIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000684411386 1023663201 /nfs/dbraw/zinc/66/32/01/1023663201.db2.gz LCQBOUMWHZRLII-UHFFFAOYSA-N 0 3 334.463 4.157 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(OC(C)(C)C)cc2)cc1 ZINC000728711553 1023739434 /nfs/dbraw/zinc/73/94/34/1023739434.db2.gz FHHLDTPQKMSKCF-MRXNPFEDSA-N 0 3 338.451 4.445 20 30 EIEDHN COCc1ccccc1/C=C(/C)CNC1(c2cccc(C#N)c2)CC1 ZINC000511725386 1023839727 /nfs/dbraw/zinc/83/97/27/1023839727.db2.gz AOBDLVVYAHFMBC-ATVHPVEESA-N 0 3 332.447 4.387 20 30 EIEDHN N#Cc1ccccc1OCCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000341575014 1023882255 /nfs/dbraw/zinc/88/22/55/1023882255.db2.gz PZHNHBGTVSBBFL-INIZCTEOSA-N 0 3 334.341 4.220 20 30 EIEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511799195 1023890433 /nfs/dbraw/zinc/89/04/33/1023890433.db2.gz FSFDEABOGLUBQT-XYPHTWIQSA-N 0 3 335.373 4.375 20 30 EIEDHN N#CCC1(CN[C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000430739172 1023997877 /nfs/dbraw/zinc/99/78/77/1023997877.db2.gz MXDPVSAVFJVWLJ-CYBMUJFWSA-N 0 3 325.239 4.491 20 30 EIEDHN N#CCC1(CN[C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000430738837 1023998636 /nfs/dbraw/zinc/99/86/36/1023998636.db2.gz GMDAUBXOIMZNQD-AWEZNQCLSA-N 0 3 339.664 4.373 20 30 EIEDHN C=CCN(Cc1cccs1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000044277619 1024124339 /nfs/dbraw/zinc/12/43/39/1024124339.db2.gz IYXMIECYYPFGEX-UHFFFAOYSA-N 0 3 329.469 4.030 20 30 EIEDHN C=CCCCCN[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000471897706 1024337530 /nfs/dbraw/zinc/33/75/30/1024337530.db2.gz SXLXGAZUBLUVHS-FQEVSTJZSA-N 0 3 338.451 4.321 20 30 EIEDHN CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341757425 1024601677 /nfs/dbraw/zinc/60/16/77/1024601677.db2.gz JCHGAGGBDAOWFH-SZNDQCEHSA-N 0 3 333.435 4.245 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(OC(F)F)c1 ZINC000341802814 1024723735 /nfs/dbraw/zinc/72/37/35/1024723735.db2.gz HOQAEIJCQJDULQ-GOSISDBHSA-N 0 3 328.362 4.327 20 30 EIEDHN C=CCN(Cc1ccccc1)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000092261644 1024757132 /nfs/dbraw/zinc/75/71/32/1024757132.db2.gz XSTBLAMSRSVJDK-UHFFFAOYSA-N 0 3 349.434 4.145 20 30 EIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc([S@](C)=O)cc1 ZINC000341889359 1024900137 /nfs/dbraw/zinc/90/01/37/1024900137.db2.gz RGDKTNLTCXSNPM-FDORUFNTSA-N 0 3 338.476 4.024 20 30 EIEDHN C=CCC[C@H](NCC(=O)N([C@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000341930383 1024998912 /nfs/dbraw/zinc/99/89/12/1024998912.db2.gz LRDPYLUETXVRJN-UZLBHIALSA-N 0 3 326.484 4.073 20 30 EIEDHN C=CCC[C@H](NCC(=O)N(C)Cc1ccccc1F)c1ccccc1 ZINC000341950784 1025008044 /nfs/dbraw/zinc/00/80/44/1025008044.db2.gz YHIYMCJRTAQQPP-FQEVSTJZSA-N 0 3 340.442 4.081 20 30 EIEDHN N#CCN1CCC(N[C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000610813095 1025033334 /nfs/dbraw/zinc/03/33/34/1025033334.db2.gz ZLOUKGURQWTMQP-LBPRGKRZSA-N 0 3 344.311 4.010 20 30 EIEDHN CN(Cc1csc(C#N)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000893567049 1025061848 /nfs/dbraw/zinc/06/18/48/1025061848.db2.gz JJGDVPSGLBLUMX-FUHWJXTLSA-N 0 3 330.428 4.111 20 30 EIEDHN COc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1OC(F)F ZINC000538397647 1025387827 /nfs/dbraw/zinc/38/78/27/1025387827.db2.gz QBQWUUMPTJWSJP-GFCCVEGCSA-N 0 3 332.350 4.019 20 30 EIEDHN C=CCCCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000472055727 1025544785 /nfs/dbraw/zinc/54/47/85/1025544785.db2.gz PVDUSKGXJXHDJY-UHFFFAOYSA-N 0 3 334.261 4.285 20 30 EIEDHN CC(C)(CCC#N)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000342289109 1025790783 /nfs/dbraw/zinc/79/07/83/1025790783.db2.gz VSCKHIFPURWQHL-UHFFFAOYSA-N 0 3 344.440 4.138 20 30 EIEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000582444090 1026644726 /nfs/dbraw/zinc/64/47/26/1026644726.db2.gz RKHJZQLMPSOBAT-UHFFFAOYSA-N 0 3 348.368 4.226 20 30 EIEDHN O=C1C=C2CN(Cc3cc(Cl)ccc3C(F)(F)F)CCC2S1 ZINC001140565150 1026649089 /nfs/dbraw/zinc/64/90/89/1026649089.db2.gz LJPREWHZGSJUOF-ZDUSSCGKSA-N 0 3 347.789 4.133 20 30 EIEDHN CC[C@H](C)[C@@H](C)N(CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000427002189 1026674820 /nfs/dbraw/zinc/67/48/20/1026674820.db2.gz NJPXRSPYLTWJRB-WCQYABFASA-N 0 3 333.501 4.074 20 30 EIEDHN CCN(Cc1c[nH]nc1-c1ccc(C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119851752 1026700373 /nfs/dbraw/zinc/70/03/73/1026700373.db2.gz YRAVOUJURYDCNE-HNNXBMFYSA-N 0 3 334.423 4.433 20 30 EIEDHN N#CC(C(=O)c1ccoc1C1CC1)c1nc2ccccc2n1C(F)F ZINC000342628037 1026763731 /nfs/dbraw/zinc/76/37/31/1026763731.db2.gz FAVDEQRJNXDTAA-LBPRGKRZSA-N 0 3 341.317 4.392 20 30 EIEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000342815984 1027122726 /nfs/dbraw/zinc/12/27/26/1027122726.db2.gz RYIQYMUZERTCLV-MRXNPFEDSA-N 0 3 328.419 4.084 20 30 EIEDHN C=CCOc1ccccc1CNC[C@@H](c1ccccc1Cl)N(C)C ZINC000520210977 1027336628 /nfs/dbraw/zinc/33/66/28/1027336628.db2.gz JLAXJVXRZKRPHW-IBGZPJMESA-N 0 3 344.886 4.297 20 30 EIEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000329115780 1027601413 /nfs/dbraw/zinc/60/14/13/1027601413.db2.gz IHMOYHLEJGBQHJ-SJLPKXTDSA-N 0 3 325.456 4.252 20 30 EIEDHN COc1cccc([C@@H](C)N2CCN(CCCCC(C)(C)C#N)CC2)c1 ZINC000444602838 1027886502 /nfs/dbraw/zinc/88/65/02/1027886502.db2.gz NBLNGYUXJLCNKL-GOSISDBHSA-N 0 3 343.515 4.094 20 30 EIEDHN C=CC[C@H]1N(Cc2nnc(-c3ccc(OC)cc3)o2)CCCC1(C)C ZINC000444784973 1028071343 /nfs/dbraw/zinc/07/13/43/1028071343.db2.gz WZQIBBKSVKSARV-QGZVFWFLSA-N 0 3 341.455 4.312 20 30 EIEDHN CSc1nc(CN2CCC[C@H]2Cc2ccc(F)cc2)ccc1C#N ZINC001141948085 1028152979 /nfs/dbraw/zinc/15/29/79/1028152979.db2.gz MKWUDJUYWWPRTA-SFHVURJKSA-N 0 3 341.455 4.021 20 30 EIEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000330267453 1028242742 /nfs/dbraw/zinc/24/27/42/1028242742.db2.gz QNVSWXVSEXJORQ-ULKVUYOBSA-N 0 3 343.254 4.127 20 30 EIEDHN N#CC1(CCCN(Cc2ccco2)Cc2cccs2)CCOCC1 ZINC000281151560 1028415729 /nfs/dbraw/zinc/41/57/29/1028415729.db2.gz BKLCMMMSGXLVSN-UHFFFAOYSA-N 0 3 344.480 4.444 20 30 EIEDHN CC[C@@H](NCCOCC(F)(F)C(F)(F)F)c1ccc(F)cc1F ZINC000346578869 1028524480 /nfs/dbraw/zinc/52/44/80/1028524480.db2.gz XHHFOMCEFKAQFX-GFCCVEGCSA-N 0 3 347.274 4.220 20 30 EIEDHN Cc1ccc(C#N)c(NC[C@H](c2cccs2)N2CCC(C)CC2)n1 ZINC000346858168 1028798718 /nfs/dbraw/zinc/79/87/18/1028798718.db2.gz ZIIWYHODWHZFOM-QGZVFWFLSA-N 0 3 340.496 4.208 20 30 EIEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000583503378 1028818833 /nfs/dbraw/zinc/81/88/33/1028818833.db2.gz ZNJWIKMMJJRWFU-FQEVSTJZSA-N 0 3 335.407 4.488 20 30 EIEDHN COc1cc(CNCc2cc(C)cc3c(C)c(C)[nH]c32)ccc1C#N ZINC000440834322 1028854163 /nfs/dbraw/zinc/85/41/63/1028854163.db2.gz VBLNJMNOIXOOJD-UHFFFAOYSA-N 0 3 333.435 4.263 20 30 EIEDHN CCOc1cc(CNCc2ccc(CC#N)cc2)cc(Cl)c1OC ZINC000583752708 1029127151 /nfs/dbraw/zinc/12/71/51/1029127151.db2.gz YVZSYYQIRFQHMC-UHFFFAOYSA-N 0 3 344.842 4.103 20 30 EIEDHN C=CCCCN(C)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000523007635 1029344625 /nfs/dbraw/zinc/34/46/25/1029344625.db2.gz SRWWCUAALYLBKR-UHFFFAOYSA-N 0 3 336.479 4.132 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(OC(F)F)c(F)c1 ZINC000340490876 1029399540 /nfs/dbraw/zinc/39/95/40/1029399540.db2.gz QXZFZUCVMKEFSP-KRWDZBQOSA-N 0 3 346.352 4.466 20 30 EIEDHN Cc1cnccc1OC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000278571683 1029523883 /nfs/dbraw/zinc/52/38/83/1029523883.db2.gz JGHGMFOJOWJJQB-UHFFFAOYSA-N 0 3 349.478 4.235 20 30 EIEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(OC(F)F)c1 ZINC000192975029 1029653657 /nfs/dbraw/zinc/65/36/57/1029653657.db2.gz LBCGNSKMSALALQ-ZDUSSCGKSA-N 0 3 332.350 4.041 20 30 EIEDHN C=CCN1CCC(Nc2ccc3cc(Br)ccc3n2)CC1 ZINC000301412079 1029728181 /nfs/dbraw/zinc/72/81/81/1029728181.db2.gz YSRODESTIIYJAV-UHFFFAOYSA-N 0 3 346.272 4.060 20 30 EIEDHN N#Cc1ccccc1COc1cccc(CNCCC(F)(F)F)c1 ZINC000525708173 1029947354 /nfs/dbraw/zinc/94/73/54/1029947354.db2.gz NJQAMXDDZOSHQD-UHFFFAOYSA-N 0 3 334.341 4.179 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN[C@@H]3CCC[C@H]3c3ccccc3)o2)c1 ZINC000525837828 1030058505 /nfs/dbraw/zinc/05/85/05/1030058505.db2.gz ZEIDZVVRXGNXCU-RBUKOAKNSA-N 0 3 344.418 4.034 20 30 EIEDHN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000451118889 1030246523 /nfs/dbraw/zinc/24/65/23/1030246523.db2.gz ZDXYOXFCHLGHHH-QGZVFWFLSA-N 0 3 347.462 4.161 20 30 EIEDHN C=C(C)[C@H](N[C@@H](COC)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000657983343 1030744128 /nfs/dbraw/zinc/74/41/28/1030744128.db2.gz SMHYQLJXIPACTA-APWZRJJASA-N 0 3 339.426 4.003 20 30 EIEDHN CC1CCN(c2ccc(CNCc3ccc(C#N)s3)cc2)CC1 ZINC000176966126 1030809638 /nfs/dbraw/zinc/80/96/38/1030809638.db2.gz GRHNEZJRGDAHJQ-UHFFFAOYSA-N 0 3 325.481 4.146 20 30 EIEDHN Cc1cc(Cl)ccc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000527811614 1030856955 /nfs/dbraw/zinc/85/69/55/1030856955.db2.gz PKBMESREPPGFRL-UHFFFAOYSA-N 0 3 340.854 4.316 20 30 EIEDHN CC(C)N(Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(C#N)cc1 ZINC000179319762 1030898432 /nfs/dbraw/zinc/89/84/32/1030898432.db2.gz KAKKPWHNTPMMIC-UHFFFAOYSA-N 0 3 330.435 4.359 20 30 EIEDHN C[C@@H](N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)(C)C ZINC000532489219 1031219164 /nfs/dbraw/zinc/21/91/64/1031219164.db2.gz QBGARZYVFOAZSC-LSDHHAIUSA-N 0 3 347.528 4.386 20 30 EIEDHN CC[C@@](C)(COc1ncccc1Cl)NCc1ccc(C#N)cc1F ZINC000532567971 1031299149 /nfs/dbraw/zinc/29/91/49/1031299149.db2.gz MWYHKUVCMOLTSH-SFHVURJKSA-N 0 3 347.821 4.083 20 30 EIEDHN C[C@H](c1cccc(-c2ccncc2)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000364510726 1031327412 /nfs/dbraw/zinc/32/74/12/1031327412.db2.gz WATBMCILXJYSKN-MRXNPFEDSA-N 0 3 330.435 4.152 20 30 EIEDHN Cc1ccc(CN2CCSCC2)cc1NC1CCC(C)(C#N)CC1 ZINC000449055097 1031406062 /nfs/dbraw/zinc/40/60/62/1031406062.db2.gz STLNHEWVKYKUSJ-UHFFFAOYSA-N 0 3 343.540 4.428 20 30 EIEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000449732943 1031959147 /nfs/dbraw/zinc/95/91/47/1031959147.db2.gz MWLVEEYLAZJNCV-UKRRQHHQSA-N 0 3 331.872 4.484 20 30 EIEDHN N#Cc1ccc(CNCCn2ccc3cc(Cl)ccc32)c(F)c1 ZINC000512580813 1033428228 /nfs/dbraw/zinc/42/82/28/1033428228.db2.gz DSCQSQKRPHFNPL-UHFFFAOYSA-N 0 3 327.790 4.095 20 30 EIEDHN COc1ccc([C@H](OC)[C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512610806 1033491740 /nfs/dbraw/zinc/49/17/40/1033491740.db2.gz FCFKHLOABJQYCA-PJSUUKDQSA-N 0 3 342.414 4.133 20 30 EIEDHN C[C@@H](NC[C@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1F ZINC000512637193 1033582420 /nfs/dbraw/zinc/58/24/20/1033582420.db2.gz SMJPMMBYUTWENW-DNVCBOLYSA-N 0 3 341.430 4.168 20 30 EIEDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614179720 1033609752 /nfs/dbraw/zinc/60/97/52/1033609752.db2.gz KVZIVOHVTKKPMS-HNNXBMFYSA-N 0 3 335.451 4.297 20 30 EIEDHN C[C@H](N[C@@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(C#N)cc1F ZINC000512649984 1033610065 /nfs/dbraw/zinc/61/00/65/1033610065.db2.gz WBSNCVHDXHLEGD-RVHYNSKXSA-N 0 3 338.426 4.486 20 30 EIEDHN N#CCCC[C@H](NCC(=O)NCCC1CCCCC1)c1ccccc1 ZINC000433013824 1033654102 /nfs/dbraw/zinc/65/41/02/1033654102.db2.gz ZOGICZDTLPTNEW-FQEVSTJZSA-N 0 3 341.499 4.098 20 30 EIEDHN Cc1cccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)c1C ZINC000433015352 1033655762 /nfs/dbraw/zinc/65/57/62/1033655762.db2.gz WSHYDAAHICESLJ-HXUWFJFHSA-N 0 3 335.451 4.267 20 30 EIEDHN N#CCCC[C@H](NCC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000433031455 1033697572 /nfs/dbraw/zinc/69/75/72/1033697572.db2.gz NPTBDWRNMPCATR-KRWDZBQOSA-N 0 3 341.842 4.303 20 30 EIEDHN N#CC1(CCN2CCC(NC(=O)CC3CCCC3)CC2)CCCCC1 ZINC000411252555 1033773791 /nfs/dbraw/zinc/77/37/91/1033773791.db2.gz KITHXZBLSIBFIR-UHFFFAOYSA-N 0 3 345.531 4.011 20 30 EIEDHN Fc1cc(CNCC2(C(F)(F)F)CC2)ccc1OCC(F)(F)F ZINC000512868810 1034101953 /nfs/dbraw/zinc/10/19/53/1034101953.db2.gz IZHHYNIJASOYCR-UHFFFAOYSA-N 0 3 345.258 4.199 20 30 EIEDHN Cc1cc(C#N)ccc1CN1CC[C@H](OCCCc2ccccc2)C1 ZINC000614402530 1034551737 /nfs/dbraw/zinc/55/17/37/1034551737.db2.gz HURVORRZQRPXAE-QFIPXVFZSA-N 0 3 334.463 4.090 20 30 EIEDHN C=CCOc1ccccc1CN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000513412844 1034931781 /nfs/dbraw/zinc/93/17/81/1034931781.db2.gz DAXTZWPPKNHLJP-LJQANCHMSA-N 0 3 333.435 4.048 20 30 EIEDHN Fc1cc(F)c(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1F ZINC000430024863 1035013528 /nfs/dbraw/zinc/01/35/28/1035013528.db2.gz JKGROYGDICEYQT-SFYZADRCSA-N 0 3 329.259 4.454 20 30 EIEDHN COc1cc(C#N)ccc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000501208720 1035399889 /nfs/dbraw/zinc/39/98/89/1035399889.db2.gz YBPFPJQREURNLV-UHFFFAOYSA-N 0 3 333.435 4.097 20 30 EIEDHN CC(C)[C@H](O)[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594988710 1035517956 /nfs/dbraw/zinc/51/79/56/1035517956.db2.gz BVZORDGWFHMMDN-RTWAWAEBSA-N 0 3 336.479 4.336 20 30 EIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccnc1N1CCCC1 ZINC000595064752 1035543684 /nfs/dbraw/zinc/54/36/84/1035543684.db2.gz FQWPVNSNSBQCMG-OAQYLSRUSA-N 0 3 346.478 4.111 20 30 EIEDHN CC(C)[C@@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1F ZINC000595686263 1035762169 /nfs/dbraw/zinc/76/21/69/1035762169.db2.gz UXZAIXOYOHOOPE-HXUWFJFHSA-N 0 3 339.414 4.013 20 30 EIEDHN FC(F)C[C@@H](NCCOCC(F)(F)C(F)(F)F)c1ccccc1 ZINC000421001496 1035940962 /nfs/dbraw/zinc/94/09/62/1035940962.db2.gz XCIZEIFIBUWVDT-LLVKDONJSA-N 0 3 347.274 4.187 20 30 EIEDHN CCN(CC)[C@H](CNC(=O)CC1(C#N)CCCCC1)c1ccsc1 ZINC000596793514 1036019833 /nfs/dbraw/zinc/01/98/33/1036019833.db2.gz JNPMVBNWFIMGBR-QGZVFWFLSA-N 0 3 347.528 4.111 20 30 EIEDHN CC(C)(CO)[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000597117145 1036108545 /nfs/dbraw/zinc/10/85/45/1036108545.db2.gz JCVKTUPZDFLOGJ-FQEVSTJZSA-N 0 3 334.463 4.091 20 30 EIEDHN N#Cc1ccc(CNC[C@H](Cc2ccccc2)C(F)(F)F)cc1F ZINC000421357270 1036334214 /nfs/dbraw/zinc/33/42/14/1036334214.db2.gz NBDWSRONDMXJNI-INIZCTEOSA-N 0 3 336.332 4.208 20 30 EIEDHN CC(C)N(Cc1ccc(C#N)cc1)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000602438572 1036447613 /nfs/dbraw/zinc/44/76/13/1036447613.db2.gz FTYPSTOOXVDFOL-IBGZPJMESA-N 0 3 337.471 4.208 20 30 EIEDHN COC(=O)c1csc(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000602672606 1036550626 /nfs/dbraw/zinc/55/06/26/1036550626.db2.gz ZHJIXNXIBWSIBM-QGZVFWFLSA-N 0 3 328.437 4.059 20 30 EIEDHN N#CC1(c2ccc(CN3CCC(Cc4nccs4)CC3)cc2)CC1 ZINC000602732287 1036600210 /nfs/dbraw/zinc/60/02/10/1036600210.db2.gz HCFAWDZNNXLYJG-UHFFFAOYSA-N 0 3 337.492 4.153 20 30 EIEDHN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000588959502 1036623219 /nfs/dbraw/zinc/62/32/19/1036623219.db2.gz DDZKOLSNWMOPLO-INIZCTEOSA-N 0 3 330.790 4.136 20 30 EIEDHN N#Cc1cccc(CNCc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000060952842 1036695065 /nfs/dbraw/zinc/69/50/65/1036695065.db2.gz HJQIQBWPGNZRML-UHFFFAOYSA-N 0 3 338.414 4.187 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000598592632 1036709356 /nfs/dbraw/zinc/70/93/56/1036709356.db2.gz KPRVVIWGPADDCL-QGZVFWFLSA-N 0 3 336.426 4.010 20 30 EIEDHN CCCCN(CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000027273542 1036713379 /nfs/dbraw/zinc/71/33/79/1036713379.db2.gz AXONWTMKYFABKX-UHFFFAOYSA-N 0 3 344.503 4.152 20 30 EIEDHN N#Cc1ccc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1 ZINC000060970772 1036716824 /nfs/dbraw/zinc/71/68/24/1036716824.db2.gz OXBWACASCGHXON-UHFFFAOYSA-N 0 3 340.426 4.450 20 30 EIEDHN CCCC(=O)Nc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589336553 1036740087 /nfs/dbraw/zinc/74/00/87/1036740087.db2.gz OZHWAXWXUVRQHS-HXUWFJFHSA-N 0 3 333.435 4.074 20 30 EIEDHN Cc1cc(Br)cc2c1[C@H](NCc1ccc(C#N)s1)CC2 ZINC000421896050 1036845309 /nfs/dbraw/zinc/84/53/09/1036845309.db2.gz ZEHCOHFHTUDCLL-OAHLLOKOSA-N 0 3 347.281 4.468 20 30 EIEDHN Cc1oc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000027449500 1036855542 /nfs/dbraw/zinc/85/55/42/1036855542.db2.gz PWBYUCWTQGZWCL-RDTXWAMCSA-N 0 3 339.439 4.082 20 30 EIEDHN N#Cc1c(F)cccc1CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000589990977 1036926745 /nfs/dbraw/zinc/92/67/45/1036926745.db2.gz XJMQYNAFWNGACA-OAQYLSRUSA-N 0 3 337.442 4.014 20 30 EIEDHN Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCCC2)cc1C#N ZINC000599436487 1037011109 /nfs/dbraw/zinc/01/11/09/1037011109.db2.gz GPLFSOVNFYIZOG-OAQYLSRUSA-N 0 3 334.463 4.250 20 30 EIEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc([S@](C)=O)cc1 ZINC000271848850 1037033446 /nfs/dbraw/zinc/03/34/46/1037033446.db2.gz VNEYVRAGUUIOFX-OWJWWREXSA-N 0 3 340.492 4.076 20 30 EIEDHN C=CCC1(NCc2csc(CC(=O)OC(C)C)n2)CCCCC1 ZINC000599609589 1037098251 /nfs/dbraw/zinc/09/82/51/1037098251.db2.gz KTFNRNNTAKFLIC-UHFFFAOYSA-N 0 3 336.501 4.006 20 30 EIEDHN CN(CCOc1ccccc1C#N)Cc1ccc(C(F)(F)F)cc1 ZINC000604271933 1037324040 /nfs/dbraw/zinc/32/40/40/1037324040.db2.gz BYJAHRUGTQVQTG-UHFFFAOYSA-N 0 3 334.341 4.088 20 30 EIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000591348972 1037389556 /nfs/dbraw/zinc/38/95/56/1037389556.db2.gz VEJIZOSBIZKPNR-PXAZEXFGSA-N 0 3 333.391 4.133 20 30 EIEDHN Cc1cn2c(CN[C@@H]3CCCc4cc(C#N)ccc43)c(C)nc2s1 ZINC000591357585 1037393335 /nfs/dbraw/zinc/39/33/35/1037393335.db2.gz SAKVOWGDDFXQFZ-QGZVFWFLSA-N 0 3 336.464 4.052 20 30 EIEDHN Cc1cccc2[nH]cc(CC(=O)C(C#N)c3nc4ccccc4o3)c21 ZINC000171482407 1037423771 /nfs/dbraw/zinc/42/37/71/1037423771.db2.gz DAZBEIQLNWPZTK-AWEZNQCLSA-N 0 3 329.359 4.037 20 30 EIEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573413351 1037499367 /nfs/dbraw/zinc/49/93/67/1037499367.db2.gz VOQKNELQJCILPH-XJKSGUPXSA-N 0 3 340.389 4.093 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 ZINC000171639855 1037562198 /nfs/dbraw/zinc/56/21/98/1037562198.db2.gz GNWPGGQQBILMMQ-UHFFFAOYSA-N 0 3 347.528 4.349 20 30 EIEDHN N#CC(C(=O)C[C@@H]1CCCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000171776401 1037649310 /nfs/dbraw/zinc/64/93/10/1037649310.db2.gz ZKPRYXQXPCYRAY-RDJZCZTQSA-N 0 3 329.403 4.249 20 30 EIEDHN CC(C)[C@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000488571549 1037669388 /nfs/dbraw/zinc/66/93/88/1037669388.db2.gz GDCRHFIQUQVENF-JKSUJKDBSA-N 0 3 327.415 4.177 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157400 1037765079 /nfs/dbraw/zinc/76/50/79/1037765079.db2.gz WULXPJJZMJCYMU-HNNXBMFYSA-N 0 3 328.456 4.063 20 30 EIEDHN C#CCOc1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000172112577 1037856200 /nfs/dbraw/zinc/85/62/00/1037856200.db2.gz MLJZSZZDIPTSIF-GOSISDBHSA-N 0 3 327.424 4.164 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1c(C2CC2)nc2sccn12 ZINC000574060026 1037930946 /nfs/dbraw/zinc/93/09/46/1037930946.db2.gz MWPLVESBZLKTRW-KRWDZBQOSA-N 0 3 348.475 4.312 20 30 EIEDHN CCN(Cc1cn(C)nc1-c1ccc(C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000592497829 1038072939 /nfs/dbraw/zinc/07/29/39/1038072939.db2.gz ADZMCWXXNUJQES-MRXNPFEDSA-N 0 3 348.450 4.443 20 30 EIEDHN COc1ccc([C@@H](NCC2CCC(C#N)CC2)c2ccccn2)cc1 ZINC000593713076 1038136724 /nfs/dbraw/zinc/13/67/24/1038136724.db2.gz SMABIHOFXYBCNU-MYKUNDNFSA-N 0 3 335.451 4.099 20 30 EIEDHN CC1(C)C[C@H](N[C@H]2CCc3ccc(C#N)cc32)c2cc(N)ccc2O1 ZINC000423421193 1038209305 /nfs/dbraw/zinc/20/93/05/1038209305.db2.gz ATNQHWUQVQYZQA-OALUTQOASA-N 0 3 333.435 4.020 20 30 EIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc2c(c1)OCCCO2 ZINC000574647772 1038308058 /nfs/dbraw/zinc/30/80/58/1038308058.db2.gz XNOIPOFBVABJTL-FQEVSTJZSA-N 0 3 348.446 4.277 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)NCC1(C2CCCCC2)CCCCC1 ZINC000594443380 1038335993 /nfs/dbraw/zinc/33/59/93/1038335993.db2.gz PFGZCRQTGQEXJD-SFHVURJKSA-N 0 3 333.520 4.045 20 30 EIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCCO2 ZINC000594515241 1038357712 /nfs/dbraw/zinc/35/77/12/1038357712.db2.gz LSRURWRZVYYXMA-OAHLLOKOSA-N 0 3 334.419 4.059 20 30 EIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000594515590 1038358860 /nfs/dbraw/zinc/35/88/60/1038358860.db2.gz ODJSTJNESWVFAF-HNNXBMFYSA-N 0 3 345.446 4.173 20 30 EIEDHN C=CCOc1cccc(CN[C@@H](Cc2nccn2C)c2ccccc2)c1 ZINC000608069675 1038482106 /nfs/dbraw/zinc/48/21/06/1038482106.db2.gz DRVUCZWPFMZIAN-NRFANRHFSA-N 0 3 347.462 4.059 20 30 EIEDHN CCCc1ccc(-c2ccc(NC(=O)[C@H](N)CCCC#N)cc2)cc1 ZINC000424122557 1038610098 /nfs/dbraw/zinc/61/00/98/1038610098.db2.gz HBHWDGBWIDVXBB-HXUWFJFHSA-N 0 3 335.451 4.266 20 30 EIEDHN CN(C(=O)[C@@H](N)CCCC#N)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000424163636 1038697895 /nfs/dbraw/zinc/69/78/95/1038697895.db2.gz AKYTZGBETSPSEO-ZWKOTPCHSA-N 0 3 347.890 4.051 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cc(F)cc(C(F)(F)F)c1 ZINC000618743177 1038785784 /nfs/dbraw/zinc/78/57/84/1038785784.db2.gz ZADHYZDIMLPEMN-QGZVFWFLSA-N 0 3 334.316 4.493 20 30 EIEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000173954187 1038800069 /nfs/dbraw/zinc/80/00/69/1038800069.db2.gz IKAKJZROPJOLMM-ZWNOBZJWSA-N 0 3 340.395 4.085 20 30 EIEDHN COCC[N@H+](Cc1ccc(C#N)cc1)Cc1c([O-])ccc2ccccc21 ZINC000063730231 1038800928 /nfs/dbraw/zinc/80/09/28/1038800928.db2.gz XHYYNJIRNPWXPJ-UHFFFAOYSA-N 0 3 346.430 4.066 20 30 EIEDHN COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c([O-])ccc2ccccc21 ZINC000063730231 1038800931 /nfs/dbraw/zinc/80/09/31/1038800931.db2.gz XHYYNJIRNPWXPJ-UHFFFAOYSA-N 0 3 346.430 4.066 20 30 EIEDHN Cc1c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1-c1cccc(Cl)c1 ZINC000424335944 1038811744 /nfs/dbraw/zinc/81/17/44/1038811744.db2.gz XDPWPJPRMGJRBW-IVMMDQJWSA-N 0 3 328.847 4.177 20 30 EIEDHN CCC(CC)[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000539251565 1038896007 /nfs/dbraw/zinc/89/60/07/1038896007.db2.gz WELBMHCKOFKLJT-HXUWFJFHSA-N 0 3 341.499 4.096 20 30 EIEDHN CCN(CC)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1F ZINC000174430261 1038955558 /nfs/dbraw/zinc/95/55/58/1038955558.db2.gz GMYPMNSFYIJFHC-HNNXBMFYSA-N 0 3 325.431 4.394 20 30 EIEDHN C=CCC[C@H](NCC(=O)N[C@@H](C)CC)c1ccc(C(F)(F)F)cc1 ZINC000539331347 1038980522 /nfs/dbraw/zinc/98/05/22/1038980522.db2.gz JBVUWTXEWPNPIW-BBRMVZONSA-N 0 3 342.405 4.217 20 30 EIEDHN COc1ccc(CN(C)Cc2cccc(OCCCC#N)c2)cc1C ZINC000092787089 1039591704 /nfs/dbraw/zinc/59/17/04/1039591704.db2.gz PZNQGAKULOQNHX-UHFFFAOYSA-N 0 3 338.451 4.318 20 30 EIEDHN C=CCC1(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CCC1 ZINC000478272610 1039600121 /nfs/dbraw/zinc/60/01/21/1039600121.db2.gz ANCAJHJINADKTP-KRWDZBQOSA-N 0 3 346.540 4.384 20 30 EIEDHN CO[C@@H](CNC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000514145886 1039657750 /nfs/dbraw/zinc/65/77/50/1039657750.db2.gz QKEYAIHESULOHK-SFHVURJKSA-N 0 3 326.827 4.178 20 30 EIEDHN N#Cc1ccc2ncc(CN3CCC[C@@H]3CCCc3ccccc3)n2c1 ZINC000537646885 1039801850 /nfs/dbraw/zinc/80/18/50/1039801850.db2.gz BQSRLZPGWLPHRJ-FQEVSTJZSA-N 0 3 344.462 4.193 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000442675456 1039845839 /nfs/dbraw/zinc/84/58/39/1039845839.db2.gz YTHRIRBWEMXNIW-AVRDEDQJSA-N 0 3 334.463 4.343 20 30 EIEDHN C=CCC[C@@H](NC(=O)NC1CCN(CC(=C)C)CC1)c1ccccc1 ZINC000158188037 1040156879 /nfs/dbraw/zinc/15/68/79/1040156879.db2.gz YNTZZWCCIHAXAV-HXUWFJFHSA-N 0 3 341.499 4.034 20 30 EIEDHN C=C[C@@H](CC(=O)Nc1cc(CN(C)C)ccc1OC)c1ccccc1 ZINC000535359961 1040216384 /nfs/dbraw/zinc/21/63/84/1040216384.db2.gz IRRPBVVYLOLHPC-KRWDZBQOSA-N 0 3 338.451 4.055 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000160146116 1040372378 /nfs/dbraw/zinc/37/23/78/1040372378.db2.gz XCSVZVXECMYDIY-SNVBAGLBSA-N 0 3 337.807 4.305 20 30 EIEDHN CC(C)N(Cc1cc(C#N)n(C)c1)Cc1ccc(Br)cc1 ZINC000483174843 1040744886 /nfs/dbraw/zinc/74/48/86/1040744886.db2.gz LCCSDEHWYWFLFW-UHFFFAOYSA-N 0 3 346.272 4.070 20 30 EIEDHN CCc1cccc2c(C3CCN(Cc4cc(C#N)n(C)c4)CC3)c[nH]c21 ZINC000483256680 1040795785 /nfs/dbraw/zinc/79/57/85/1040795785.db2.gz NVZLCBDTOAVUPT-UHFFFAOYSA-N 0 3 346.478 4.320 20 30 EIEDHN N#Cc1ccc(CNCc2cccc3cc[nH]c32)c(C(F)(F)F)c1 ZINC000515479596 1040800799 /nfs/dbraw/zinc/80/07/99/1040800799.db2.gz XGXVHYYXJJZTRA-UHFFFAOYSA-N 0 3 329.325 4.348 20 30 EIEDHN C(#Cc1ccccc1)CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000484096199 1041116583 /nfs/dbraw/zinc/11/65/83/1041116583.db2.gz SRAGEAIMPYGIGH-HXUWFJFHSA-N 0 3 348.494 4.084 20 30 EIEDHN C=CCC[C@@H](NCC(=O)Nc1cc(C(C)(C)C)no1)c1ccccc1 ZINC000538260218 1041221636 /nfs/dbraw/zinc/22/16/36/1041221636.db2.gz XMXLSXZIHJCHOL-MRXNPFEDSA-N 0 3 341.455 4.208 20 30 EIEDHN COc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1OC(F)F ZINC000538397648 1041315647 /nfs/dbraw/zinc/31/56/47/1041315647.db2.gz QBQWUUMPTJWSJP-LBPRGKRZSA-N 0 3 332.350 4.019 20 30 EIEDHN Cc1ccc([C@@H](Cn2ccnc2)N[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000540609153 1041561127 /nfs/dbraw/zinc/56/11/27/1041561127.db2.gz DKKTWCVJXMNQRC-PGRDOPGGSA-N 0 3 344.462 4.464 20 30 EIEDHN CCSCC[C@H](C)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437631586 1041862371 /nfs/dbraw/zinc/86/23/71/1041862371.db2.gz CKHRCBCZLHFSFL-LBPRGKRZSA-N 0 3 328.428 4.123 20 30 EIEDHN C[C@@H](CN(Cc1ccc(C#N)cc1Cl)[C@@H](C)CO)c1ccccc1 ZINC000517108797 1041872503 /nfs/dbraw/zinc/87/25/03/1041872503.db2.gz YNZSVMZILPFDTC-HOTGVXAUSA-N 0 3 342.870 4.198 20 30 EIEDHN CCCCOc1cc(CN2CCC(CCC#N)CC2)ccc1OC ZINC000517373056 1041992332 /nfs/dbraw/zinc/99/23/32/1041992332.db2.gz AOJIXDZLTAYNCD-UHFFFAOYSA-N 0 3 330.472 4.390 20 30 EIEDHN N#CC(C(=O)c1ccc(Cl)c(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000464418877 1041995619 /nfs/dbraw/zinc/99/56/19/1041995619.db2.gz BSPSTLJUYOOXPM-JTQLQIEISA-N 0 3 342.679 4.383 20 30 EIEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000464564997 1042064867 /nfs/dbraw/zinc/06/48/67/1042064867.db2.gz ZPSDZDPBECREEL-IRXDYDNUSA-N 0 3 334.529 4.240 20 30 EIEDHN CCN(Cc1cn2ccccc2c1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000517530280 1042067970 /nfs/dbraw/zinc/06/79/70/1042067970.db2.gz NQYNCIRTEGFSPW-QGZVFWFLSA-N 0 3 347.462 4.273 20 30 EIEDHN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271960295 1042561805 /nfs/dbraw/zinc/56/18/05/1042561805.db2.gz QYWIYXFIAFHUOT-ZKWAXGPOSA-N 0 3 346.352 4.156 20 30 EIEDHN C=CCCC[C@@H](C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439456683 1042639530 /nfs/dbraw/zinc/63/95/30/1042639530.db2.gz ZEOFWZZTPLNLRB-DOMZBBRYSA-N 0 3 338.377 4.247 20 30 EIEDHN Cc1cc(CNCc2ccc(NC(=O)c3ccco3)cc2)ccc1C#N ZINC000443967447 1042704872 /nfs/dbraw/zinc/70/48/72/1042704872.db2.gz MCBWMZKCKOBIBD-UHFFFAOYSA-N 0 3 345.402 4.002 20 30 EIEDHN CCCC[C@@H](C)N(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000519035673 1042798367 /nfs/dbraw/zinc/79/83/67/1042798367.db2.gz BGYWEIIXGIGEEJ-QGZVFWFLSA-N 0 3 329.488 4.061 20 30 EIEDHN N#Cc1cccc(CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000067401000 1042882387 /nfs/dbraw/zinc/88/23/87/1042882387.db2.gz DPNXMBAIXNGJGE-HXUWFJFHSA-N 0 3 340.854 4.157 20 30 EIEDHN C=CCc1cc(CNCc2ccc(OC)c(C)c2)cc(OC)c1OC ZINC000237212310 1042954160 /nfs/dbraw/zinc/95/41/60/1042954160.db2.gz YFCFXMUXMUYDCY-UHFFFAOYSA-N 0 3 341.451 4.039 20 30 EIEDHN COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OC2CCCC2)c1 ZINC000185850796 1043227257 /nfs/dbraw/zinc/22/72/57/1043227257.db2.gz HFTBHPIEZUSRGH-NVXWUHKLSA-N 0 3 328.456 4.189 20 30 EIEDHN CCN(Cc1ccc2c(c1)OCO2)Cc1ccccc1C(C)(C)C#N ZINC000487410169 1043380453 /nfs/dbraw/zinc/38/04/53/1043380453.db2.gz OGPFUCZYZVBBCD-UHFFFAOYSA-N 0 3 336.435 4.239 20 30 EIEDHN C=CCN1CC[C@@H](N[C@H](CCC)c2ccc(Cl)c(Cl)c2)C1=O ZINC000499602076 1043396391 /nfs/dbraw/zinc/39/63/91/1043396391.db2.gz JCKVZTCVJXEWJO-HZPDHXFCSA-N 0 3 341.282 4.211 20 30 EIEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1csc2ccccc21 ZINC000730024050 1043430603 /nfs/dbraw/zinc/43/06/03/1043430603.db2.gz ZXVGFRNNORHOBN-LSDHHAIUSA-N 0 3 328.481 4.141 20 30 EIEDHN C[C@H](N[C@@H](C)c1csc2ccccc21)C(=O)Nc1ccccc1C#N ZINC000730019863 1043436166 /nfs/dbraw/zinc/43/61/66/1043436166.db2.gz TYUTWUNVQGHVBF-KBPBESRZSA-N 0 3 349.459 4.451 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@@H](CCCCC)c2ccccc2)CC1 ZINC000730128490 1043450133 /nfs/dbraw/zinc/45/01/33/1043450133.db2.gz QFMJPPGMSBUUAN-FQEVSTJZSA-N 0 3 343.515 4.258 20 30 EIEDHN N#CC(C(=O)CCc1nc2cc(Cl)ccc2s1)c1ccccn1 ZINC000730687295 1043587703 /nfs/dbraw/zinc/58/77/03/1043587703.db2.gz UOAISQJRXNWANN-LBPRGKRZSA-N 0 3 341.823 4.154 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(F)c(COC)c2)c([O-])c1 ZINC000730733158 1043596566 /nfs/dbraw/zinc/59/65/66/1043596566.db2.gz VJIPNYCTZTYGHA-XKZIYDEJSA-N 0 3 344.430 4.143 20 30 EIEDHN Clc1cccc(C#CCN2CCC(CCCn3ccnc3)CC2)c1 ZINC000543061807 1043704323 /nfs/dbraw/zinc/70/43/23/1043704323.db2.gz KKABMBZRCXSDDX-UHFFFAOYSA-N 0 3 341.886 4.080 20 30 EIEDHN COc1ccccc1[C@@H]1CCCCN1Cc1ccc(OCC#N)cc1 ZINC000731213202 1043716085 /nfs/dbraw/zinc/71/60/85/1043716085.db2.gz WNROITPTQFBLFT-FQEVSTJZSA-N 0 3 336.435 4.325 20 30 EIEDHN CC(C)Oc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(C(F)(F)F)c1 ZINC000442792469 1043841217 /nfs/dbraw/zinc/84/12/17/1043841217.db2.gz QDBCFJDMKPRESS-TZMCWYRMSA-N 0 3 326.362 4.274 20 30 EIEDHN N#CC1(c2ccccc2)CCN([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168714540 1044263406 /nfs/dbraw/zinc/26/34/06/1044263406.db2.gz CFBFDGFXPPUQOC-GOSISDBHSA-N 0 3 336.866 4.365 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccccc2COC)c([O-])c1 ZINC000914557821 1044482667 /nfs/dbraw/zinc/48/26/67/1044482667.db2.gz LQUCOQVWECXPHG-KGENOOAVSA-N 0 3 326.440 4.004 20 30 EIEDHN CC(F)(F)C(C)(C)CNCc1cc(C#N)ccc1Br ZINC000922315477 1044507636 /nfs/dbraw/zinc/50/76/36/1044507636.db2.gz LISOGSGZLYHZSL-UHFFFAOYSA-N 0 3 331.204 4.092 20 30 EIEDHN N#Cc1cc(CN[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)cs1 ZINC000922318729 1044515649 /nfs/dbraw/zinc/51/56/49/1044515649.db2.gz MRHNXXYLRIICIH-SJORKVTESA-N 0 3 332.856 4.283 20 30 EIEDHN C=CC[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000494922196 1044519071 /nfs/dbraw/zinc/51/90/71/1044519071.db2.gz OAFBYQAFHCSSCW-YADHBBJMSA-N 0 3 348.490 4.300 20 30 EIEDHN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)C1CCCCC1 ZINC000542531266 1044575646 /nfs/dbraw/zinc/57/56/46/1044575646.db2.gz LKZQAXKJHVNFGB-CABCVRRESA-N 0 3 338.455 4.303 20 30 EIEDHN N#CCOc1ccc(Cl)cc1CN1CCC[C@H]1Cc1ccccc1 ZINC000735305698 1044792318 /nfs/dbraw/zinc/79/23/18/1044792318.db2.gz CFFIGKJQRIBJGG-IBGZPJMESA-N 0 3 340.854 4.449 20 30 EIEDHN C=CCCC1(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000474206224 1044792581 /nfs/dbraw/zinc/79/25/81/1044792581.db2.gz CDJMIMQCKRKTPE-KRWDZBQOSA-N 0 3 346.540 4.384 20 30 EIEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H](c2ccccc2)C1 ZINC000735309480 1044800020 /nfs/dbraw/zinc/80/00/20/1044800020.db2.gz FWASXJGGXCHTCA-INIZCTEOSA-N 0 3 326.827 4.232 20 30 EIEDHN CC(C)N(CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)c1ccccc1 ZINC000428879576 1044814998 /nfs/dbraw/zinc/81/49/98/1044814998.db2.gz HMASMXODXMENPA-GOSISDBHSA-N 0 3 341.499 4.143 20 30 EIEDHN N#CC(C(=O)C[C@@H]1CCOc2ccccc21)c1ccc2ccccc2n1 ZINC000735592926 1044843268 /nfs/dbraw/zinc/84/32/68/1044843268.db2.gz FNNQTQFEDKCMJH-FUHWJXTLSA-N 0 3 342.398 4.367 20 30 EIEDHN N#Cc1csc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000093841008 1044857093 /nfs/dbraw/zinc/85/70/93/1044857093.db2.gz GNYHESXKWBRLIB-CQSZACIVSA-N 0 3 343.521 4.335 20 30 EIEDHN Cc1ccc(CNCc2cccc(OCC(F)(F)F)c2)cc1C#N ZINC000922759839 1044931461 /nfs/dbraw/zinc/93/14/61/1044931461.db2.gz WAOVUSOZQZCAKR-UHFFFAOYSA-N 0 3 334.341 4.098 20 30 EIEDHN C[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)c1cccs1 ZINC000739180580 1045121644 /nfs/dbraw/zinc/12/16/44/1045121644.db2.gz KIZQIGIPIPFNLN-MWLCHTKSSA-N 0 3 330.409 4.477 20 30 EIEDHN CSc1cc(C)ccc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000153528716 1045204644 /nfs/dbraw/zinc/20/46/44/1045204644.db2.gz GEDGDZMSBSUBFT-HNNXBMFYSA-N 0 3 326.465 4.298 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2ccccc2Cl)c([O-])c1 ZINC000740763879 1045218214 /nfs/dbraw/zinc/21/82/14/1045218214.db2.gz SAVODAIKLXEARF-MRUVXERFSA-N 0 3 346.858 4.044 20 30 EIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1CCOc2ccccc21 ZINC000611276541 1045273329 /nfs/dbraw/zinc/27/33/29/1045273329.db2.gz JCSVSKRXDQAIJS-NRSPTQNISA-N 0 3 332.447 4.324 20 30 EIEDHN CN(Cc1cccc(C#N)c1F)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611371287 1045290567 /nfs/dbraw/zinc/29/05/67/1045290567.db2.gz JEUCGCKNZYSTIX-CTNGQTDRSA-N 0 3 338.426 4.297 20 30 EIEDHN CC(C)C(=O)Nc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611390226 1045301918 /nfs/dbraw/zinc/30/19/18/1045301918.db2.gz LABMIYKCABPGGW-OAQYLSRUSA-N 0 3 347.462 4.320 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(OC2CCCC2)nc1 ZINC000611391059 1045302682 /nfs/dbraw/zinc/30/26/82/1045302682.db2.gz OOJVSAZXHVOVHQ-OAQYLSRUSA-N 0 3 347.462 4.442 20 30 EIEDHN CC(C)COc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171676153 1045331804 /nfs/dbraw/zinc/33/18/04/1045331804.db2.gz USVMKKDJISAIFR-KRWDZBQOSA-N 0 3 338.451 4.475 20 30 EIEDHN CCOc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)ccc1OC ZINC000193613456 1045392809 /nfs/dbraw/zinc/39/28/09/1045392809.db2.gz OLRLWANKNRZJGM-UHFFFAOYSA-N 0 3 336.435 4.130 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000767693126 1045615498 /nfs/dbraw/zinc/61/54/98/1045615498.db2.gz YJWWXXGUZOEQGT-WNSCPLKPSA-N 0 3 330.472 4.149 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000767693116 1045616060 /nfs/dbraw/zinc/61/60/60/1045616060.db2.gz YJWWXXGUZOEQGT-LBSLPOPVSA-N 0 3 330.472 4.149 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/CCO[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC000915978518 1045850064 /nfs/dbraw/zinc/85/00/64/1045850064.db2.gz HOPNUVQQEXYLAV-ZNVNJADUSA-N 0 3 332.488 4.253 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccc(COC)c2)c([O-])c1 ZINC000915979349 1045851751 /nfs/dbraw/zinc/85/17/51/1045851751.db2.gz NZKUXIXGNHWJOX-KGENOOAVSA-N 0 3 326.440 4.004 20 30 EIEDHN Cc1ccccc1C[NH+]1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000915983075 1045854997 /nfs/dbraw/zinc/85/49/97/1045854997.db2.gz PAKQNBXLZPNNHM-LPYMAVHISA-N 0 3 342.870 4.438 20 30 EIEDHN N#CC(C(=O)C=CSCc1ccco1)c1nccc2ccccc21 ZINC000792100350 1045857014 /nfs/dbraw/zinc/85/70/14/1045857014.db2.gz DPACBOCOUNTROB-VGMNTSGFSA-N 0 3 334.400 4.451 20 30 EIEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000249254533 1045895902 /nfs/dbraw/zinc/89/59/02/1045895902.db2.gz GHCIPVGRLWFLDB-FRFSOERESA-N 0 3 335.373 4.375 20 30 EIEDHN Cc1cccc(C2(NC3CCC(C#N)(c4ccccc4)CC3)COC2)c1 ZINC001170362331 1046015897 /nfs/dbraw/zinc/01/58/97/1046015897.db2.gz XNODKWROZXHPEV-UHFFFAOYSA-N 0 3 346.474 4.214 20 30 EIEDHN Cc1ccccc1C1(NC2CCC(C#N)(c3ccccc3)CC2)COC1 ZINC001170371914 1046018102 /nfs/dbraw/zinc/01/81/02/1046018102.db2.gz NQKPLVGTIYGJCA-UHFFFAOYSA-N 0 3 346.474 4.214 20 30 EIEDHN Cc1cc(CN2CCC[C@@H]2CC(=O)c2ccc(F)cc2)ccc1C#N ZINC000488135374 1046105864 /nfs/dbraw/zinc/10/58/64/1046105864.db2.gz FZSALKUBSZZXFE-HXUWFJFHSA-N 0 3 336.410 4.243 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCCc3ccc(Br)cc32)cc1 ZINC000771380004 1046378478 /nfs/dbraw/zinc/37/84/78/1046378478.db2.gz DXCXFNOEIAHRDT-GOSISDBHSA-N 0 3 341.252 4.488 20 30 EIEDHN C=CC[C@@H](N[C@@H](C)c1sc(CCOC)nc1C)c1ccncc1 ZINC000771392098 1046395270 /nfs/dbraw/zinc/39/52/70/1046395270.db2.gz TWRDQSNCVYWKKF-XJKSGUPXSA-N 0 3 331.485 4.003 20 30 EIEDHN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1(C)C ZINC000916910683 1046457537 /nfs/dbraw/zinc/45/75/37/1046457537.db2.gz SGGGGOSIXXNGON-IOASZLSFSA-N 0 3 344.842 4.226 20 30 EIEDHN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916930634 1046459907 /nfs/dbraw/zinc/45/99/07/1046459907.db2.gz FEWXTYIYYYPYHQ-SECBINFHSA-N 0 3 349.164 4.076 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC(C)(F)F)cc1 ZINC000916948285 1046490726 /nfs/dbraw/zinc/49/07/26/1046490726.db2.gz FZVVFZNKLKWDSJ-IUODEOHRSA-N 0 3 336.382 4.283 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC(C)(F)F)cc1 ZINC000916948286 1046491598 /nfs/dbraw/zinc/49/15/98/1046491598.db2.gz FZVVFZNKLKWDSJ-SWLSCSKDSA-N 0 3 336.382 4.283 20 30 EIEDHN CC[C@@H]1C[C@@H](NCC2(C#N)CCC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170458028 1046637583 /nfs/dbraw/zinc/63/75/83/1046637583.db2.gz FMDAQGKBJTZHGU-OSYLJGHBSA-N 0 3 349.519 4.227 20 30 EIEDHN N#C[C@@H]1CCC[C@@H]1NCCCCOc1ccccc1C(F)(F)F ZINC000459456617 1046690729 /nfs/dbraw/zinc/69/07/29/1046690729.db2.gz CDSJINICXSBTSO-ZFWWWQNUSA-N 0 3 326.362 4.146 20 30 EIEDHN C[C@@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786530792 1046844739 /nfs/dbraw/zinc/84/47/39/1046844739.db2.gz JYXDJPRDWKBPLS-BBRMVZONSA-N 0 3 348.874 4.127 20 30 EIEDHN Cc1c([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cnn1-c1ccccc1 ZINC000787025358 1046893633 /nfs/dbraw/zinc/89/36/33/1046893633.db2.gz GEPZJQDTHXMXPD-QRQCRPRQSA-N 0 3 342.446 4.391 20 30 EIEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000537114754 1046964573 /nfs/dbraw/zinc/96/45/73/1046964573.db2.gz GSFDLTJVANEJMA-GJZGRUSLSA-N 0 3 342.870 4.348 20 30 EIEDHN CCOc1ccc(/C=N/C[C@@H](c2ccc(Cl)cc2)N(C)C)c(O)c1 ZINC000746816278 1047428231 /nfs/dbraw/zinc/42/82/31/1047428231.db2.gz QSNBFANALKRVHH-IUOVYFEOSA-N 0 3 346.858 4.166 20 30 EIEDHN C=C[C@@H](CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000533912703 1047482872 /nfs/dbraw/zinc/48/28/72/1047482872.db2.gz VQNFMTITGKHAQI-UNMCSNQZSA-N 0 3 348.490 4.127 20 30 EIEDHN COc1ccccc1[C@@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000609280553 1047495923 /nfs/dbraw/zinc/49/59/23/1047495923.db2.gz AFTTXJPVFJFCJI-FQEVSTJZSA-N 0 3 336.435 4.173 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000824468145 1047877620 /nfs/dbraw/zinc/87/76/20/1047877620.db2.gz CMUJYFOEJBHLBG-ZUOKHONESA-N 0 3 342.389 4.423 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCOC2=O)cc1)c1cccc(C#N)c1 ZINC000814249170 1047918121 /nfs/dbraw/zinc/91/81/21/1047918121.db2.gz IXUYUHZDGVXWQM-JKSUJKDBSA-N 0 3 349.434 4.317 20 30 EIEDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCCOC3=O)cc2)ccc1C#N ZINC000814302665 1047970364 /nfs/dbraw/zinc/97/03/64/1047970364.db2.gz HSHVNPSIYCDODW-INIZCTEOSA-N 0 3 349.434 4.064 20 30 EIEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000809609181 1048419792 /nfs/dbraw/zinc/41/97/92/1048419792.db2.gz GCKFXZWSLYBFIE-AWEZNQCLSA-N 0 3 333.353 4.460 20 30 EIEDHN C#Cc1ccc(CN[C@H](C)c2ccc(SCCOC)cc2)cc1 ZINC000809616008 1048422592 /nfs/dbraw/zinc/42/25/92/1048422592.db2.gz PFTBDMNDTQZKRE-MRXNPFEDSA-N 0 3 325.477 4.257 20 30 EIEDHN CC(C)N(Cc1ccc(C#N)cn1)C[C@@H](O)c1ccc2ccccc2c1 ZINC001144166801 1048478575 /nfs/dbraw/zinc/47/85/75/1048478575.db2.gz WSWSNRKQHGIAJZ-JOCHJYFZSA-N 0 3 345.446 4.050 20 30 EIEDHN CC(C)Oc1ccc([C@@H]2CCC[C@H]2NCc2nc(C#N)cs2)cc1 ZINC000810151815 1048657226 /nfs/dbraw/zinc/65/72/26/1048657226.db2.gz PFOCXJJXUSPTOJ-ZWKOTPCHSA-N 0 3 341.480 4.228 20 30 EIEDHN CC(C)(O)c1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000810152911 1048659938 /nfs/dbraw/zinc/65/99/38/1048659938.db2.gz GSHKCVJRPFWSET-UHFFFAOYSA-N 0 3 348.368 4.094 20 30 EIEDHN Cc1cc(NC(=N)c2ccc3cc(O)ccc3c2)cc2cccnc12 ZINC001171182658 1048673668 /nfs/dbraw/zinc/67/36/68/1048673668.db2.gz QWQCYLBIHJBMET-UHFFFAOYSA-N 0 3 327.387 4.439 20 30 EIEDHN N#CC1(c2ccccc2F)CCN(Cc2cccc3cc[nH]c32)CC1 ZINC001144721471 1048831661 /nfs/dbraw/zinc/83/16/61/1048831661.db2.gz OEQQQLRDHVCETN-UHFFFAOYSA-N 0 3 333.410 4.364 20 30 EIEDHN N#Cc1cccc(CN(Cc2ccccc2)C2(CO)CCCC2)c1F ZINC001170615340 1048864767 /nfs/dbraw/zinc/86/47/67/1048864767.db2.gz YKAFCHPMPDNUKG-UHFFFAOYSA-N 0 3 338.426 4.005 20 30 EIEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001170860488 1048931724 /nfs/dbraw/zinc/93/17/24/1048931724.db2.gz IVJNVHHEYCHQSA-WOJBJXKFSA-N 0 3 338.426 4.375 20 30 EIEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000175058976 1049074670 /nfs/dbraw/zinc/07/46/70/1049074670.db2.gz QBRWEZIQFBIBEN-MRXNPFEDSA-N 0 3 338.407 4.156 20 30 EIEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000135345671 1049126134 /nfs/dbraw/zinc/12/61/34/1049126134.db2.gz WRAYENQMRQUXJY-RDJZCZTQSA-N 0 3 345.512 4.141 20 30 EIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)c1nc2cc(F)ccc2s1 ZINC000609627568 1049212736 /nfs/dbraw/zinc/21/27/36/1049212736.db2.gz NCMBTMPIXGRQDS-GFCCVEGCSA-N 0 3 345.786 4.335 20 30 EIEDHN CC(C)[C@H]1CCCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000609772196 1049311325 /nfs/dbraw/zinc/31/13/25/1049311325.db2.gz ZEGLMLZWDCJUCV-GOSISDBHSA-N 0 3 347.890 4.097 20 30 EIEDHN C[C@@H]1SCCN(CCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000609829485 1049348640 /nfs/dbraw/zinc/34/86/40/1049348640.db2.gz XPHRXLKLMOZRFP-JXFKEZNVSA-N 0 3 338.476 4.116 20 30 EIEDHN C#C[C@@H](NC1CCN(c2ccc(F)cc2F)CC1)c1ccc(F)cc1 ZINC000812793833 1049591919 /nfs/dbraw/zinc/59/19/19/1049591919.db2.gz HBJYSSICYUPJBQ-LJQANCHMSA-N 0 3 344.380 4.037 20 30 EIEDHN Cc1ccc(O[C@@H](C)C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000813212828 1049707621 /nfs/dbraw/zinc/70/76/21/1049707621.db2.gz GMTNJZKEYIBTFL-WFASDCNBSA-N 0 3 348.324 4.053 20 30 EIEDHN N#CC(C(=O)c1cccc2cc[nH]c21)c1cc(C(F)(F)F)ccn1 ZINC000813212602 1049708212 /nfs/dbraw/zinc/70/82/12/1049708212.db2.gz DGIHZPDKUFDPMN-CYBMUJFWSA-N 0 3 329.281 4.072 20 30 EIEDHN Cc1cccc(O[C@@H](C)C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000813215736 1049708940 /nfs/dbraw/zinc/70/89/40/1049708940.db2.gz JXHQLBLWIJGJMX-SWLSCSKDSA-N 0 3 348.324 4.053 20 30 EIEDHN N#C[C@@H]1CCN(C2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001171654604 1049770921 /nfs/dbraw/zinc/77/09/21/1049770921.db2.gz YJOMAHASLAGKHI-KTAKPFMOSA-N 0 3 333.273 4.321 20 30 EIEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN([C@H](C)CCc1ccc(C)cc1)C2 ZINC001171672686 1049776216 /nfs/dbraw/zinc/77/62/16/1049776216.db2.gz CXFGSUWOXVVPTA-BAGYTPMASA-N 0 3 343.511 4.142 20 30 EIEDHN CC[C@@H](CC#N)N[C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171816241 1049810497 /nfs/dbraw/zinc/81/04/97/1049810497.db2.gz HAXLSVRZEYXLMZ-NXOAAHMSSA-N 0 3 337.508 4.225 20 30 EIEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=N)c1ccc(Cl)cn1 ZINC001171959555 1049823244 /nfs/dbraw/zinc/82/32/44/1049823244.db2.gz BJQUDBZQMXYHCO-SNVBAGLBSA-N 0 3 341.764 4.090 20 30 EIEDHN N=C(N[C@H]1CCc2c(Cl)cccc2C1)c1ccc2ccccc2n1 ZINC001171023243 1049867444 /nfs/dbraw/zinc/86/74/44/1049867444.db2.gz VMOHWLKXIYTUHD-HNNXBMFYSA-N 0 3 335.838 4.151 20 30 EIEDHN N=C(N[C@@H]1CCc2c(Cl)cccc2C1)c1ccc2ccccc2n1 ZINC001171023244 1049867568 /nfs/dbraw/zinc/86/75/68/1049867568.db2.gz VMOHWLKXIYTUHD-OAHLLOKOSA-N 0 3 335.838 4.151 20 30 EIEDHN N#CC1(c2ccccc2)CCN([C@H]2CSc3ccccc3C2)CC1 ZINC001172195164 1049868271 /nfs/dbraw/zinc/86/82/71/1049868271.db2.gz ZLOMSRAVOZLGRM-LJQANCHMSA-N 0 3 334.488 4.261 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1ccsc1Br ZINC001172299141 1049882582 /nfs/dbraw/zinc/88/25/82/1049882582.db2.gz FVVOAEXYGZWZDW-LLVKDONJSA-N 0 3 335.270 4.103 20 30 EIEDHN CCCCCCC[C@H](CC)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001172357701 1049894291 /nfs/dbraw/zinc/89/42/91/1049894291.db2.gz LVUWCAZYOMIJOJ-KRWDZBQOSA-N 0 3 344.503 4.417 20 30 EIEDHN CC[C@@H](C)OCC[C@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172362753 1049896211 /nfs/dbraw/zinc/89/62/11/1049896211.db2.gz XFNLBJZANDLYAD-DLBZAZTESA-N 0 3 332.463 4.277 20 30 EIEDHN Cc1ccccc1NC(=O)C[C@@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000090665229 1050198362 /nfs/dbraw/zinc/19/83/62/1050198362.db2.gz QQFVXLYPVHMCKR-XLIONFOSSA-N 0 3 335.451 4.347 20 30 EIEDHN C[C@@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1cccc(C#N)c1 ZINC000181980904 1050401432 /nfs/dbraw/zinc/40/14/32/1050401432.db2.gz MBSRTRDDRABTAO-OAHLLOKOSA-N 0 3 336.435 4.364 20 30 EIEDHN C=CCOC1CCC(N2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001173325906 1050418406 /nfs/dbraw/zinc/41/84/06/1050418406.db2.gz SFQPTBNOMBBKSH-UHFFFAOYSA-N 0 3 342.458 4.197 20 30 EIEDHN C=CCN1CCN([C@H](C)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC001173554590 1050482067 /nfs/dbraw/zinc/48/20/67/1050482067.db2.gz OZOFASMRZSMPFN-CQSZACIVSA-N 0 3 327.299 4.118 20 30 EIEDHN CC1(C#N)CCC(NCc2c(F)cccc2Br)CC1 ZINC001173593255 1050497649 /nfs/dbraw/zinc/49/76/49/1050497649.db2.gz KVHBHXJZVOVCJN-UHFFFAOYSA-N 0 3 325.225 4.150 20 30 EIEDHN CC1(C#N)CCC(N2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001173597465 1050499986 /nfs/dbraw/zinc/49/99/86/1050499986.db2.gz UVBOWLAMIABVPG-UHFFFAOYSA-N 0 3 325.431 4.155 20 30 EIEDHN Cc1cc(Br)ccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618741733 1050502060 /nfs/dbraw/zinc/50/20/60/1050502060.db2.gz MADQVFJXHXKSKN-SFHVURJKSA-N 0 3 341.252 4.406 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCCc1ccc(C=C)cc1 ZINC001178778588 1050562077 /nfs/dbraw/zinc/56/20/77/1050562077.db2.gz QQBGEXWSLWLUKM-UHFFFAOYSA-N 0 3 325.839 4.327 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(C)c(C#N)c2)cc1Cl ZINC001179562862 1050718662 /nfs/dbraw/zinc/71/86/62/1050718662.db2.gz VRVUEPSBJATPST-UHFFFAOYSA-N 0 3 326.827 4.375 20 30 EIEDHN COc1cccc2c1OCC[C@H]2N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508365 1050794753 /nfs/dbraw/zinc/79/47/53/1050794753.db2.gz JKQKXLUMLUOUDL-VQTJNVASSA-N 0 3 348.446 4.448 20 30 EIEDHN N#C[C@@H]1CC[C@H](N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)C1 ZINC000619672582 1050849599 /nfs/dbraw/zinc/84/95/99/1050849599.db2.gz ALVTVZQVFGCBGL-BPAFIMBUSA-N 0 3 348.425 4.199 20 30 EIEDHN COc1ccc2c(c1)CCC[C@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000619755632 1050883165 /nfs/dbraw/zinc/88/31/65/1050883165.db2.gz OARSBQPTGMBFTR-LJQANCHMSA-N 0 3 326.827 4.387 20 30 EIEDHN CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000619755074 1050885817 /nfs/dbraw/zinc/88/58/17/1050885817.db2.gz SHDLLYPFPNOZKJ-QGZVFWFLSA-N 0 3 344.842 4.470 20 30 EIEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccccc1-c1ccccc1 ZINC001189731389 1051053334 /nfs/dbraw/zinc/05/33/34/1051053334.db2.gz CNAWLQNUPUPFNI-SFHVURJKSA-N 0 3 335.451 4.126 20 30 EIEDHN CC[C@@](C)(NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000775392139 1051211559 /nfs/dbraw/zinc/21/15/59/1051211559.db2.gz YROMPQGGYAFTMN-LJQANCHMSA-N 0 3 341.842 4.065 20 30 EIEDHN N#Cc1ccc(C2CCN([C@@H]3CCc4cc(Cl)ccc43)CC2)nc1 ZINC001174871321 1051226119 /nfs/dbraw/zinc/22/61/19/1051226119.db2.gz BINNPVJQQTVCSC-HXUWFJFHSA-N 0 3 337.854 4.474 20 30 EIEDHN N#Cc1ccc(C2CCN([C@@H]3CCc4c3cccc4Cl)CC2)nc1 ZINC001174876127 1051227237 /nfs/dbraw/zinc/22/72/37/1051227237.db2.gz YPRTWEUGBJVCAL-HXUWFJFHSA-N 0 3 337.854 4.474 20 30 EIEDHN N#Cc1ccc(C2CCN([C@H]3CCc4c3cccc4Cl)CC2)nc1 ZINC001174876125 1051227925 /nfs/dbraw/zinc/22/79/25/1051227925.db2.gz YPRTWEUGBJVCAL-FQEVSTJZSA-N 0 3 337.854 4.474 20 30 EIEDHN C=C(CNCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000620756886 1051274392 /nfs/dbraw/zinc/27/43/92/1051274392.db2.gz USUANNMCEAHUKT-UHFFFAOYSA-N 0 3 329.827 4.304 20 30 EIEDHN N#Cc1cccc(C2(NC[C@H](O)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000775430357 1051341094 /nfs/dbraw/zinc/34/10/94/1051341094.db2.gz OPRUPMDSAOGTDN-KRWDZBQOSA-N 0 3 347.245 4.177 20 30 EIEDHN COc1cccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000155438222 1051419170 /nfs/dbraw/zinc/41/91/70/1051419170.db2.gz KFOZEZMBMBYHDR-MRXNPFEDSA-N 0 3 349.415 4.065 20 30 EIEDHN CC[C@@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000774169577 1051490244 /nfs/dbraw/zinc/49/02/44/1051490244.db2.gz SJWLMRXUZQQTSW-QZTJIDSGSA-N 0 3 348.368 4.049 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000774241243 1051513034 /nfs/dbraw/zinc/51/30/34/1051513034.db2.gz BBVGNEAFDUCQAJ-FPOVZHCZSA-N 0 3 333.435 4.480 20 30 EIEDHN CC(C)(C#N)CCN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000157929179 1051685399 /nfs/dbraw/zinc/68/53/99/1051685399.db2.gz OIOBIGZFFAWWSQ-UHFFFAOYSA-N 0 3 325.431 4.205 20 30 EIEDHN CCN1CCN(c2ccc(Nc3ccc([C@@H](C)C#N)cc3)cc2)CC1 ZINC001175781541 1051783738 /nfs/dbraw/zinc/78/37/38/1051783738.db2.gz VXCFMLLIJJRAJM-KRWDZBQOSA-N 0 3 334.467 4.199 20 30 EIEDHN C[C@@H](N[C@H](C)c1cc2ccccc2s1)C(=O)Nc1ccccc1C#N ZINC000184352462 1051914132 /nfs/dbraw/zinc/91/41/32/1051914132.db2.gz NGOXPLNJNITUBR-ZIAGYGMSSA-N 0 3 349.459 4.451 20 30 EIEDHN C[C@]1(c2ccccc2)CC[C@H](N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001184046066 1051944373 /nfs/dbraw/zinc/94/43/73/1051944373.db2.gz SGWPLNCCTZWWRH-ZRBLBEILSA-N 0 3 346.474 4.442 20 30 EIEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1c(C)cccc1C(C)(C)C ZINC001184636922 1052065446 /nfs/dbraw/zinc/06/54/46/1052065446.db2.gz BKMOTJUCJHIEQK-INIZCTEOSA-N 0 3 329.488 4.064 20 30 EIEDHN C=CCC[C@H](NCC(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000178758017 1052713468 /nfs/dbraw/zinc/71/34/68/1052713468.db2.gz QNBAWKQKOMBFJA-SFHVURJKSA-N 0 3 338.451 4.239 20 30 EIEDHN COc1c(C)cc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1C ZINC000180776070 1052815335 /nfs/dbraw/zinc/81/53/35/1052815335.db2.gz PMLFRNULBJLTTQ-AWEZNQCLSA-N 0 3 328.437 4.382 20 30 EIEDHN CCCCCCCCCOC(=O)N1CCC2SC(=O)C=C2C1 ZINC001194911832 1053162312 /nfs/dbraw/zinc/16/23/12/1053162312.db2.gz WCXOSSBCDZVLRE-HNNXBMFYSA-N 0 3 325.474 4.148 20 30 EIEDHN C=CCC[C@H](NC[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000850581204 1053333453 /nfs/dbraw/zinc/33/34/53/1053333453.db2.gz VDROTVIMUGNQAI-LSDHHAIUSA-N 0 3 325.330 4.027 20 30 EIEDHN N#CC(C(=O)CC[C@@H]1CC1(Cl)Cl)c1ccc2ccccc2n1 ZINC000850741085 1053344543 /nfs/dbraw/zinc/34/45/43/1053344543.db2.gz DJCNDWYBMHPHHH-CHWSQXEVSA-N 0 3 333.218 4.385 20 30 EIEDHN CC(C)(NCc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC001196039027 1053569016 /nfs/dbraw/zinc/56/90/16/1053569016.db2.gz ITLAMSGDGYKCAZ-UHFFFAOYSA-N 0 3 347.231 4.485 20 30 EIEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCCn3nccc32)cc1 ZINC000866632896 1053812040 /nfs/dbraw/zinc/81/20/40/1053812040.db2.gz PVODJXIDYXUBCD-PBHICJAKSA-N 0 3 331.847 4.200 20 30 EIEDHN CC(C)c1ccc([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccccn2)cc1 ZINC000121861767 1053854164 /nfs/dbraw/zinc/85/41/64/1053854164.db2.gz BDTMVSVHJUWESL-YJBOKZPZSA-N 0 3 349.434 4.046 20 30 EIEDHN CCOc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000776767296 1053862405 /nfs/dbraw/zinc/86/24/05/1053862405.db2.gz PYSKZMBKXZKPKX-UHFFFAOYSA-N 0 3 349.478 4.342 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(F)cc2)ccc1OC ZINC000113308831 1053917941 /nfs/dbraw/zinc/91/79/41/1053917941.db2.gz GTTWPFVREAYEKU-RDTXWAMCSA-N 0 3 342.414 4.366 20 30 EIEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CCC1 ZINC001198034446 1054061772 /nfs/dbraw/zinc/06/17/72/1054061772.db2.gz XEAOIFCFOLZTGQ-QGZVFWFLSA-N 0 3 348.446 4.342 20 30 EIEDHN N#CC(C(=O)c1cnn(CC2CCCC2)c1)c1ccc2ccccc2n1 ZINC000870121455 1054063334 /nfs/dbraw/zinc/06/33/34/1054063334.db2.gz CQTJAPXNWBQGGI-SFHVURJKSA-N 0 3 344.418 4.112 20 30 EIEDHN CC(C)(C(=O)C(C#N)c1nc2cc(F)ccc2s1)[C@@H]1CCCCO1 ZINC000870195602 1054069568 /nfs/dbraw/zinc/06/95/68/1054069568.db2.gz LOEVHPOVFJLYQU-DOMZBBRYSA-N 0 3 346.427 4.207 20 30 EIEDHN COc1cc(C)cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1C ZINC000870444158 1054100650 /nfs/dbraw/zinc/10/06/50/1054100650.db2.gz GQRYQQKJRFTZFX-CQSZACIVSA-N 0 3 326.421 4.136 20 30 EIEDHN N#Cc1cccc(CN(Cc2ccccc2)C[C@@H](O)c2cccs2)c1 ZINC000123455466 1054149626 /nfs/dbraw/zinc/14/96/26/1054149626.db2.gz MAPABKWTRRGICB-HXUWFJFHSA-N 0 3 348.471 4.356 20 30 EIEDHN N#Cc1cc(CN[C@@H]2CCCc3cc(OC(F)F)ccc32)cs1 ZINC000921625605 1054179209 /nfs/dbraw/zinc/17/92/09/1054179209.db2.gz NSPPREMBVCMQCY-MRXNPFEDSA-N 0 3 334.391 4.388 20 30 EIEDHN COc1cc2c(cc1OC)[C@@H](NCc1cccc(C#N)c1)CCCC2 ZINC000872020830 1054335533 /nfs/dbraw/zinc/33/55/33/1054335533.db2.gz KRCIKVMVVKXEIQ-IBGZPJMESA-N 0 3 336.435 4.133 20 30 EIEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(C(F)(F)F)nc1 ZINC000872130505 1054406645 /nfs/dbraw/zinc/40/66/45/1054406645.db2.gz NWLLMYQLTVNFPX-BDJLRTHQSA-N 0 3 331.341 4.310 20 30 EIEDHN N#CC1(CCN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)CCCCC1 ZINC000858052727 1054410073 /nfs/dbraw/zinc/41/00/73/1054410073.db2.gz ZNJSMSCNAASBLL-LJQANCHMSA-N 0 3 339.483 4.276 20 30 EIEDHN C#CCOc1cccc(Cl)c1CN[C@@H](C)Cc1ccccc1F ZINC001199648129 1054437537 /nfs/dbraw/zinc/43/75/37/1054437537.db2.gz DRXWANRTAQAUHR-AWEZNQCLSA-N 0 3 331.818 4.212 20 30 EIEDHN C#CCCOc1ccc(CN2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000776013425 1054438738 /nfs/dbraw/zinc/43/87/38/1054438738.db2.gz GPMNEPTWKPJUJJ-QHCPKHFHSA-N 0 3 347.458 4.110 20 30 EIEDHN C#CCCOc1ccc(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776014461 1054440017 /nfs/dbraw/zinc/44/00/17/1054440017.db2.gz RTFXJXFOCHCEII-YOEHRIQHSA-N 0 3 325.374 4.252 20 30 EIEDHN CN(CCC#N)c1ccc(CN2Cc3ccccc3C3(CC3)C2)cc1 ZINC000776014014 1054441295 /nfs/dbraw/zinc/44/12/95/1054441295.db2.gz QEMCHQABPLGAMN-UHFFFAOYSA-N 0 3 331.463 4.084 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776012670 1054444962 /nfs/dbraw/zinc/44/49/62/1054444962.db2.gz INULANRJXJZZKO-IOASZLSFSA-N 0 3 326.362 4.140 20 30 EIEDHN N#Cc1ccc(CC2CCN(Cc3ccc(N4CCCC4)o3)CC2)cc1 ZINC001137067596 1054481613 /nfs/dbraw/zinc/48/16/13/1054481613.db2.gz AUEAGYWJCWGJFL-UHFFFAOYSA-N 0 3 349.478 4.206 20 30 EIEDHN CSCc1cc(F)ccc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776162946 1054787914 /nfs/dbraw/zinc/78/79/14/1054787914.db2.gz CJSCRONPNSYAAI-AWEZNQCLSA-N 0 3 344.455 4.442 20 30 EIEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC000876630329 1054939690 /nfs/dbraw/zinc/93/96/90/1054939690.db2.gz XFIHGSLMSQHAHC-TZMCWYRMSA-N 0 3 326.893 4.294 20 30 EIEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000876673333 1054945775 /nfs/dbraw/zinc/94/57/75/1054945775.db2.gz WBSGBZOBCOAORC-BXUZGUMPSA-N 0 3 348.796 4.085 20 30 EIEDHN CCN(CCC#N)C(=O)CN[C@@H](CCC(C)C)c1ccc(Cl)cc1 ZINC001168593122 1054955623 /nfs/dbraw/zinc/95/56/23/1054955623.db2.gz IXRJAIFDKVNYQR-SFHVURJKSA-N 0 3 349.906 4.169 20 30 EIEDHN N#Cc1cnc(Cl)c(CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000877493826 1055062673 /nfs/dbraw/zinc/06/26/73/1055062673.db2.gz OYDZIRLHSMQESI-SAZUREKKSA-N 0 3 332.234 4.296 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(C)CCCCc1ccccc1)c1ccccc1 ZINC000877971898 1055165818 /nfs/dbraw/zinc/16/58/18/1055165818.db2.gz SEQYHLHBSSQBAW-QHCPKHFHSA-N 0 3 348.490 4.382 20 30 EIEDHN CCS[C@@H]1CC[C@H](N(C)CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878151408 1055195694 /nfs/dbraw/zinc/19/56/94/1055195694.db2.gz QHCJYSNRFIZWDF-XUVXKRRUSA-N 0 3 344.524 4.033 20 30 EIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OCC)c(F)c2)cc1 ZINC000765837502 1055823663 /nfs/dbraw/zinc/82/36/63/1055823663.db2.gz YGPSGWLZWWCQBN-HNNXBMFYSA-N 0 3 327.399 4.087 20 30 EIEDHN CN(C)[C@@H](CNc1snc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000301485344 1055941763 /nfs/dbraw/zinc/94/17/63/1055941763.db2.gz WMEDOELFUQKKAW-LBPRGKRZSA-N 0 3 341.267 4.036 20 30 EIEDHN CN(C)[C@H](CNc1ccc(C(F)(F)F)c(C#N)c1)c1cccs1 ZINC000301733699 1055975176 /nfs/dbraw/zinc/97/51/76/1055975176.db2.gz GEFISGIAETVNCB-CQSZACIVSA-N 0 3 339.386 4.353 20 30 EIEDHN CC(=O)c1ccc(C#N)c(NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000302115453 1056018781 /nfs/dbraw/zinc/01/87/81/1056018781.db2.gz RGTGIIHTKBMAMO-OAQYLSRUSA-N 0 3 333.435 4.010 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1NC1CCN(Cc2ccccc2C)CC1 ZINC000302118504 1056018967 /nfs/dbraw/zinc/01/89/67/1056018967.db2.gz SMWGOKFTTFRKCC-UHFFFAOYSA-N 0 3 347.462 4.146 20 30 EIEDHN CCCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)C ZINC000554177875 1056040139 /nfs/dbraw/zinc/04/01/39/1056040139.db2.gz SNKZHNUAOPCFFM-UHFFFAOYSA-N 0 3 347.528 4.195 20 30 EIEDHN CC[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1cnn(C)c1 ZINC000091412090 1056111912 /nfs/dbraw/zinc/11/19/12/1056111912.db2.gz HUKXSPVKSJUUMG-OAQYLSRUSA-N 0 3 330.435 4.200 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1C#N ZINC000072742493 1056465559 /nfs/dbraw/zinc/46/55/59/1056465559.db2.gz HCAGTKZLHTVBCI-INIZCTEOSA-N 0 3 343.430 4.480 20 30 EIEDHN C[C@H](NCc1csc(C#N)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000921807366 1056612648 /nfs/dbraw/zinc/61/26/48/1056612648.db2.gz PDOXHCMCXUFXKF-BJOHPYRUSA-N 0 3 341.263 4.138 20 30 EIEDHN CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934375 1056797978 /nfs/dbraw/zinc/79/79/78/1056797978.db2.gz IQGSSIKRLIRQNA-GVDBMIGSSA-N 0 3 349.478 4.179 20 30 EIEDHN CCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934035 1056800201 /nfs/dbraw/zinc/80/02/01/1056800201.db2.gz GSULRMJXVNDFQF-SJORKVTESA-N 0 3 349.478 4.181 20 30 EIEDHN COc1ccc(CNCc2ccc(-c3csc(C)n3)cc2)cc1C#N ZINC000742368927 1058578727 /nfs/dbraw/zinc/57/87/27/1058578727.db2.gz KYFCLCFKSJBIEL-UHFFFAOYSA-N 0 3 349.459 4.289 20 30 EIEDHN Cc1ccc(CCCCC(=O)C(C#N)C(=O)Nc2cccc(C)c2)cc1 ZINC000746417534 1060304639 /nfs/dbraw/zinc/30/46/39/1060304639.db2.gz ZOQFAIJHXPMJIQ-FQEVSTJZSA-N 0 3 348.446 4.364 20 30 EIEDHN C#Cc1ccc(NC(=O)CCN[C@H](C)c2oc3ccccc3c2C)cc1 ZINC001168982916 1060552364 /nfs/dbraw/zinc/55/23/64/1060552364.db2.gz UJZMYSCELLHMHD-MRXNPFEDSA-N 0 3 346.430 4.402 20 30 EIEDHN C=C(C)[C@@H](NC[C@H]1Cc2cc(OC)ccc2O1)c1ccc(F)c(F)c1 ZINC001169472532 1060833726 /nfs/dbraw/zinc/83/37/26/1060833726.db2.gz HSZLYVQTAGYLST-OXQOHEQNSA-N 0 3 345.389 4.184 20 30 EIEDHN N#Cc1ccc(Cl)cc1NC1CCN(Cc2ccccc2)CC1 ZINC000097393567 219021039 /nfs/dbraw/zinc/02/10/39/219021039.db2.gz VLEXSYMOGKJFFF-UHFFFAOYSA-N 0 3 325.843 4.288 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccccc3Cl)C2)c(F)c1 ZINC000533308963 1032620461 /nfs/dbraw/zinc/62/04/61/1032620461.db2.gz UBRHDWNEPJEDFX-MRXNPFEDSA-N 0 3 343.833 4.109 20 30 EIEDHN Cc1nc2ccc(Nc3cc(F)c(Br)cc3C#N)cc2[nH]1 ZINC001213077414 1032779126 /nfs/dbraw/zinc/77/91/26/1032779126.db2.gz WFRQYTDABIZPOQ-UHFFFAOYSA-N 0 3 345.175 4.388 20 30 EIEDHN N#CC(C(=O)CCCOc1cccc2ccccc21)c1ccccn1 ZINC000049457977 1018755505 /nfs/dbraw/zinc/75/55/05/1018755505.db2.gz HHHKTAYPGKNSLF-SFHVURJKSA-N 0 3 330.387 4.270 20 30 EIEDHN CCCCn1ncc(C(=O)C(C#N)c2ccc3ccccc3n2)c1CC ZINC000683221053 1019492660 /nfs/dbraw/zinc/49/26/60/1019492660.db2.gz HAFIYXSDMXNGTP-INIZCTEOSA-N 0 3 346.434 4.284 20 30 EIEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)c1cccc(C)c1 ZINC000728915927 1032863665 /nfs/dbraw/zinc/86/36/65/1032863665.db2.gz MLLDTCOTBOGVJZ-INIZCTEOSA-N 0 3 349.459 4.308 20 30 EIEDHN C[C@@H](NCc1cc(C#N)cs1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000748099564 1020343235 /nfs/dbraw/zinc/34/32/35/1020343235.db2.gz ZAVGQMMMDOYYHK-RFAUZJTJSA-N 0 3 341.263 4.138 20 30 EIEDHN COCCN(Cc1ccc(C)cc1C)Cc1c(C)cc(C#N)cc1C ZINC001167227322 1020602651 /nfs/dbraw/zinc/60/26/51/1020602651.db2.gz LCRPBVCHYWYHCM-UHFFFAOYSA-N 0 3 336.479 4.441 20 30 EIEDHN N#Cc1cnc(N[C@H](CN2CCCCC2)c2ccccc2)c(Cl)c1 ZINC000610279268 1020916249 /nfs/dbraw/zinc/91/62/49/1020916249.db2.gz ODUFVIIPEIYLQM-GOSISDBHSA-N 0 3 340.858 4.246 20 30 EIEDHN N#Cc1ccc(CN[C@@H]2CCc3c2cccc3Br)s1 ZINC000176964567 1020942264 /nfs/dbraw/zinc/94/22/64/1020942264.db2.gz OTCHRMXMDPELEL-OAHLLOKOSA-N 0 3 333.254 4.159 20 30 EIEDHN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1OCC(C)C ZINC000610344694 1021341885 /nfs/dbraw/zinc/34/18/85/1021341885.db2.gz GBCKLPDIPBPGAS-MRXNPFEDSA-N 0 3 338.451 4.452 20 30 EIEDHN N#CC(C(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc2ccccc2n1 ZINC000613290685 1021853580 /nfs/dbraw/zinc/85/35/80/1021853580.db2.gz JVVCICCZVZRJAC-MRXNPFEDSA-N 0 3 338.370 4.115 20 30 EIEDHN C=CCN(CC1CCCCC1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC001167391535 1021954977 /nfs/dbraw/zinc/95/49/77/1021954977.db2.gz KBYRMVIJZYWNHX-FQEVSTJZSA-N 0 3 344.474 4.389 20 30 EIEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc2ccccc2c1 ZINC000175942759 1022001677 /nfs/dbraw/zinc/00/16/77/1022001677.db2.gz MJTBLPGRBHAUNJ-YWZLYKJASA-N 0 3 348.446 4.101 20 30 EIEDHN N#Cc1ccc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)s1 ZINC000180163362 1022092664 /nfs/dbraw/zinc/09/26/64/1022092664.db2.gz BJGBDUVHTLHEBM-CYBMUJFWSA-N 0 3 343.521 4.335 20 30 EIEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000178179205 1022140787 /nfs/dbraw/zinc/14/07/87/1022140787.db2.gz KSCGGGMVNOSPBR-HZPDHXFCSA-N 0 3 333.435 4.097 20 30 EIEDHN N#C[C@H]1CCC[C@H](NCc2cccc(Br)c2Cl)C1 ZINC000414207913 1022158660 /nfs/dbraw/zinc/15/86/60/1022158660.db2.gz HYDHKGAHYMTMMU-JQWIXIFHSA-N 0 3 327.653 4.274 20 30 EIEDHN CC(C)c1ccc(CN2CCN(CCCC(C)(C)C#N)CC2)cc1 ZINC000610447504 1022231753 /nfs/dbraw/zinc/23/17/53/1022231753.db2.gz WFXOKQBOMLRDFN-UHFFFAOYSA-N 0 3 327.516 4.258 20 30 EIEDHN CC(C)Oc1ccccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000106353588 1022422663 /nfs/dbraw/zinc/42/26/63/1022422663.db2.gz IZVNCYAWJKONMJ-AWEZNQCLSA-N 0 3 348.324 4.378 20 30 EIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659248995 1022973537 /nfs/dbraw/zinc/97/35/37/1022973537.db2.gz AQQGUUDITVKGQB-INIZCTEOSA-N 0 3 346.883 4.151 20 30 EIEDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1cccc(C#N)c1F ZINC000340959609 1023013481 /nfs/dbraw/zinc/01/34/81/1023013481.db2.gz RAGNMQSVODGSQV-SFHVURJKSA-N 0 3 348.425 4.020 20 30 EIEDHN C=CCOc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430594126 1023165150 /nfs/dbraw/zinc/16/51/50/1023165150.db2.gz FWQCVQPWHSFKDB-HNNXBMFYSA-N 0 3 340.448 4.495 20 30 EIEDHN C=CCN1CCC(NC(=O)C2(Cc3cccs3)CCCCC2)CC1 ZINC000584690530 1023187469 /nfs/dbraw/zinc/18/74/69/1023187469.db2.gz PYFMVXRDOQOEFM-UHFFFAOYSA-N 0 3 346.540 4.008 20 30 EIEDHN C=CCSc1ccccc1NC(=O)CN(C)C(C1CC1)C1CC1 ZINC000050989257 1023222499 /nfs/dbraw/zinc/22/24/99/1023222499.db2.gz KJJFXQDGPXJQLG-UHFFFAOYSA-N 0 3 330.497 4.024 20 30 EIEDHN N#CC1(c2ccccn2)CCN(Cc2cccc3ccccc32)CC1 ZINC000376737081 1023274894 /nfs/dbraw/zinc/27/48/94/1023274894.db2.gz OLHPQZSMMLNSQF-UHFFFAOYSA-N 0 3 327.431 4.292 20 30 EIEDHN CCCCCCCC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000376970762 1023341061 /nfs/dbraw/zinc/34/10/61/1023341061.db2.gz BAUWWZWUPJBWOF-UHFFFAOYSA-N 0 3 348.453 4.268 20 30 EIEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000376957034 1023341463 /nfs/dbraw/zinc/34/14/63/1023341463.db2.gz UVTIQAWOVSZEIF-QILLFSRXSA-N 0 3 334.891 4.051 20 30 EIEDHN CCc1oc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)cc1C ZINC000162434730 1023360581 /nfs/dbraw/zinc/36/05/81/1023360581.db2.gz WMZGTNYGYZEDEE-MRXNPFEDSA-N 0 3 346.386 4.265 20 30 EIEDHN CSc1ccc(CN[C@@H](C)c2ccc(C(C)(C)O)cc2)cc1C#N ZINC000926869955 1023541061 /nfs/dbraw/zinc/54/10/61/1023541061.db2.gz ZOBDWXRRODDRII-AWEZNQCLSA-N 0 3 340.492 4.358 20 30 EIEDHN C=CCc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cc(OC)c1O ZINC000418140251 1023558770 /nfs/dbraw/zinc/55/87/70/1023558770.db2.gz FNSARVNBTJYTPM-FQEVSTJZSA-N 0 3 348.446 4.168 20 30 EIEDHN COc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccc1SC ZINC000418151413 1023567862 /nfs/dbraw/zinc/56/78/62/1023567862.db2.gz XFIHQVKUCKVYKK-SFHVURJKSA-N 0 3 338.476 4.456 20 30 EIEDHN N#CCC[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000759864977 1023753208 /nfs/dbraw/zinc/75/32/08/1023753208.db2.gz JWOZNMUVBMAQIG-ROUUACIJSA-N 0 3 332.806 4.147 20 30 EIEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000430745254 1024002457 /nfs/dbraw/zinc/00/24/57/1024002457.db2.gz WLAVAVILNKKOEO-DOTOQJQBSA-N 0 3 346.446 4.118 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(OC(F)F)cc1 ZINC000341763496 1024636749 /nfs/dbraw/zinc/63/67/49/1024636749.db2.gz ZNQOTTXSFZWBDP-GOSISDBHSA-N 0 3 328.362 4.327 20 30 EIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000662080202 1024851622 /nfs/dbraw/zinc/85/16/22/1024851622.db2.gz NVMORCQWDOFFRM-LZQZEXGQSA-N 0 3 326.484 4.321 20 30 EIEDHN C=CCC[C@@H](NCC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000341930381 1024997898 /nfs/dbraw/zinc/99/78/98/1024997898.db2.gz LRDPYLUETXVRJN-OXJNMPFZSA-N 0 3 326.484 4.073 20 30 EIEDHN N#Cc1cc(CN2CCC(c3cccc4ccccc43)CC2)ccn1 ZINC000610992183 1025236529 /nfs/dbraw/zinc/23/65/29/1025236529.db2.gz JNHSPRYGIBPTTH-UHFFFAOYSA-N 0 3 327.431 4.486 20 30 EIEDHN Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1cccc(C#N)c1 ZINC000151384932 1025286313 /nfs/dbraw/zinc/28/63/13/1025286313.db2.gz ZLSPMNJBJZGXON-ZDUSSCGKSA-N 0 3 334.448 4.236 20 30 EIEDHN N#Cc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000066971908 1025587876 /nfs/dbraw/zinc/58/78/76/1025587876.db2.gz CYIFKDQGXVXQMU-UHFFFAOYSA-N 0 3 349.415 4.485 20 30 EIEDHN CCC(CC)N(CC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000344035413 1025892099 /nfs/dbraw/zinc/89/20/99/1025892099.db2.gz SGBPYYHFCDUJMY-UHFFFAOYSA-N 0 3 325.456 4.248 20 30 EIEDHN N#CC(C(=O)C=Cc1cccs1)c1nc2ccccc2n1C(F)F ZINC000051655363 1026592919 /nfs/dbraw/zinc/59/29/19/1026592919.db2.gz PVEZMTFSAAJDLL-GUOLPTJISA-N 0 3 343.358 4.383 20 30 EIEDHN CC[C@H](N[C@@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C#N)cc1 ZINC000375722368 1026873976 /nfs/dbraw/zinc/87/39/76/1026873976.db2.gz ZYPTWWGAPDMIQG-VQTJNVASSA-N 0 3 333.435 4.097 20 30 EIEDHN Cn1cc(CCC(=O)C(C#N)c2nc3ccccc3o2)c2ccccc21 ZINC000176733444 1026958168 /nfs/dbraw/zinc/95/81/68/1026958168.db2.gz WNHKCHYFLXGEHJ-MRXNPFEDSA-N 0 3 343.386 4.129 20 30 EIEDHN C=C(C)COc1cc(CN2CCC([C@@H]3CCCO3)CC2)ccc1OC ZINC000188244907 1027208823 /nfs/dbraw/zinc/20/88/23/1027208823.db2.gz IUERHDAJFUWWEW-IBGZPJMESA-N 0 3 345.483 4.041 20 30 EIEDHN CC(C)(C#N)CCCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000277926885 1027471737 /nfs/dbraw/zinc/47/17/37/1027471737.db2.gz HRGLSQVUUKIEMB-DHZHZOJOSA-N 0 3 325.500 4.037 20 30 EIEDHN C=CCSCCNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000237764952 1027552881 /nfs/dbraw/zinc/55/28/81/1027552881.db2.gz NDILQHPVKJYVNE-UHFFFAOYSA-N 0 3 348.899 4.323 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000328730736 1027808612 /nfs/dbraw/zinc/80/86/12/1027808612.db2.gz GFVBXQJRMDOLMH-UHFFFAOYSA-N 0 3 331.460 4.067 20 30 EIEDHN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000329518494 1027826955 /nfs/dbraw/zinc/82/69/55/1027826955.db2.gz PSBBANJNTIHXNU-ZWKOTPCHSA-N 0 3 344.503 4.207 20 30 EIEDHN CC(C)(C)c1ccccc1NC(=O)CN[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328909370 1027833229 /nfs/dbraw/zinc/83/32/29/1027833229.db2.gz MRLHTCWEDKIMCK-APWZRJJASA-N 0 3 343.471 4.059 20 30 EIEDHN CC(C)(C)c1ccccc1NC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328909372 1027833918 /nfs/dbraw/zinc/83/39/18/1027833918.db2.gz MRLHTCWEDKIMCK-QFBILLFUSA-N 0 3 343.471 4.059 20 30 EIEDHN C[C@@H](c1cccc(F)c1)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444663580 1027947503 /nfs/dbraw/zinc/94/75/03/1027947503.db2.gz YWFIABAQODHWGI-KRWDZBQOSA-N 0 3 331.479 4.224 20 30 EIEDHN CC1CCC(N(Cc2cc(C#N)ccc2F)C[C@H]2CCCO2)CC1 ZINC000441463993 1028100759 /nfs/dbraw/zinc/10/07/59/1028100759.db2.gz HBAKPISZMJUSBA-XUJQIHCRSA-N 0 3 330.447 4.257 20 30 EIEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000330273325 1028244585 /nfs/dbraw/zinc/24/45/85/1028244585.db2.gz ZAMOEBPJFBOPGM-LNHVQRHZSA-N 0 3 343.254 4.127 20 30 EIEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cc(C)c2ncccc2c1 ZINC000346170791 1028305549 /nfs/dbraw/zinc/30/55/49/1028305549.db2.gz JYSAXZAJQFYCKA-UHFFFAOYSA-N 0 3 345.446 4.064 20 30 EIEDHN CN(CCC#N)c1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000155507069 1028444791 /nfs/dbraw/zinc/44/47/91/1028444791.db2.gz HLGJEGGKZCIBMD-FQEVSTJZSA-N 0 3 335.451 4.040 20 30 EIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(F)cc1C(F)(F)F)CC2 ZINC000583351693 1028562947 /nfs/dbraw/zinc/56/29/47/1028562947.db2.gz LDTYCHCSCQFCBN-QGZVFWFLSA-N 0 3 334.316 4.493 20 30 EIEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000524148141 1028711234 /nfs/dbraw/zinc/71/12/34/1028711234.db2.gz GKZMFWPYJQRSKS-UYAOXDASSA-N 0 3 343.515 4.210 20 30 EIEDHN COc1cc(CN[C@@H](C)c2cccc(N3CCCC3)c2)ccc1C#N ZINC000281805196 1028880217 /nfs/dbraw/zinc/88/02/17/1028880217.db2.gz VPXNIFBCPQPQER-INIZCTEOSA-N 0 3 335.451 4.018 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN[C@@H]3CCC[C@@H]3c3ccccc3)o2)c1 ZINC000525837829 1030056937 /nfs/dbraw/zinc/05/69/37/1030056937.db2.gz ZEIDZVVRXGNXCU-RTBURBONSA-N 0 3 344.418 4.034 20 30 EIEDHN CC[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000447540104 1030144618 /nfs/dbraw/zinc/14/46/18/1030144618.db2.gz ISVPJFGYLONBFB-NRFANRHFSA-N 0 3 330.435 4.044 20 30 EIEDHN CC[C@@H](NCc1ccc(OC)c(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000447547462 1030151548 /nfs/dbraw/zinc/15/15/48/1030151548.db2.gz BWWJXTBYBYVGNQ-MRXNPFEDSA-N 0 3 346.377 4.409 20 30 EIEDHN N#CCSCCCN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451015361 1030181192 /nfs/dbraw/zinc/18/11/92/1030181192.db2.gz JSCMOUMARNZSLC-HNNXBMFYSA-N 0 3 334.876 4.000 20 30 EIEDHN CC[C@@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(C#N)cc1 ZINC000447591571 1030195992 /nfs/dbraw/zinc/19/59/92/1030195992.db2.gz INJDLVJFYVOOHP-HXUWFJFHSA-N 0 3 330.435 4.200 20 30 EIEDHN CC[C@@H](NCc1cn(-c2ccccc2)nc1C)c1ccc(C#N)cc1 ZINC000447600766 1030219095 /nfs/dbraw/zinc/21/90/95/1030219095.db2.gz NLGRJJIFRCFHKE-OAQYLSRUSA-N 0 3 330.435 4.293 20 30 EIEDHN COc1ccc(C#N)cc1CN1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451148570 1030274629 /nfs/dbraw/zinc/27/46/29/1030274629.db2.gz QQHYYVLATTXBRA-SCRDCRAPSA-N 0 3 326.362 4.118 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cc2ccccc2s1 ZINC000526944618 1030338597 /nfs/dbraw/zinc/33/85/97/1030338597.db2.gz GOSJLLZUFKZPDM-CABCVRRESA-N 0 3 330.497 4.365 20 30 EIEDHN N#Cc1ccc(F)c(CN[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000611938107 1030419704 /nfs/dbraw/zinc/41/97/04/1030419704.db2.gz JCOQYRRMVKOJTQ-NRFANRHFSA-N 0 3 337.442 4.014 20 30 EIEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2s1 ZINC000527484775 1030699370 /nfs/dbraw/zinc/69/93/70/1030699370.db2.gz ZRRHMXOONNEWGF-GJZGRUSLSA-N 0 3 328.481 4.141 20 30 EIEDHN N#CC(C(=O)c1ccc(OC(F)F)cc1)c1nc(C2CC2)cs1 ZINC000647371542 1030874663 /nfs/dbraw/zinc/87/46/63/1030874663.db2.gz SLCYBDSBIASTOD-GFCCVEGCSA-N 0 3 334.347 4.112 20 30 EIEDHN N#Cc1csc(CNCc2cccc(COCc3ccco3)c2)c1 ZINC000531117822 1030897057 /nfs/dbraw/zinc/89/70/57/1030897057.db2.gz NBVAOCKVHYWWBG-UHFFFAOYSA-N 0 3 338.432 4.219 20 30 EIEDHN CC1(C)Cc2cc(C(=O)C(C#N)c3nc(C4CC4)cs3)ccc2O1 ZINC000647380314 1030914038 /nfs/dbraw/zinc/91/40/38/1030914038.db2.gz BQEMRLQMMJVSTJ-CQSZACIVSA-N 0 3 338.432 4.224 20 30 EIEDHN C=CCc1cc(CN[C@@H]2CCCc3c(F)cccc32)cc(OC)c1O ZINC000449348099 1031646609 /nfs/dbraw/zinc/64/66/09/1031646609.db2.gz FJWKUDNJHNLBNT-LJQANCHMSA-N 0 3 341.426 4.436 20 30 EIEDHN COc1ccc(CN2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)cc1C#N ZINC000449365698 1031658548 /nfs/dbraw/zinc/65/85/48/1031658548.db2.gz USORCFGLJCTFHR-OUCADQQQSA-N 0 3 326.362 4.118 20 30 EIEDHN CN1CCC[C@H](NCc2cccc(OCCCC#N)c2)c2ccccc21 ZINC000449655389 1031910081 /nfs/dbraw/zinc/91/00/81/1031910081.db2.gz YXNODVFNJJMXRK-NRFANRHFSA-N 0 3 349.478 4.430 20 30 EIEDHN N#Cc1csc(CN[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000449732827 1031966424 /nfs/dbraw/zinc/96/64/24/1031966424.db2.gz MWLVEEYLAZJNCV-DZGCQCFKSA-N 0 3 331.872 4.484 20 30 EIEDHN Cc1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c(C(C)C)n1 ZINC000453571540 1032020003 /nfs/dbraw/zinc/02/00/03/1032020003.db2.gz MOGQZEAATSVNRB-AWEZNQCLSA-N 0 3 347.340 4.417 20 30 EIEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573413345 1033342389 /nfs/dbraw/zinc/34/23/89/1033342389.db2.gz VOQKNELQJCILPH-BBRMVZONSA-N 0 3 340.389 4.093 20 30 EIEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512613556 1033496421 /nfs/dbraw/zinc/49/64/21/1033496421.db2.gz SIXMWOHCAGRIFC-JMERFSKESA-N 0 3 330.378 4.263 20 30 EIEDHN C[C@@H](NCCc1nc(C(C)(C)C)cs1)c1ccc(C#N)cc1F ZINC000512620588 1033507485 /nfs/dbraw/zinc/50/74/85/1033507485.db2.gz RFSABJAKKVQEDI-GFCCVEGCSA-N 0 3 331.460 4.345 20 30 EIEDHN CCN(Cc1ccc(C(C)(C)C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000614159578 1033528698 /nfs/dbraw/zinc/52/86/98/1033528698.db2.gz GUUNWQATQYXCCQ-UHFFFAOYSA-N 0 3 336.435 4.239 20 30 EIEDHN CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)C(C)C ZINC000246540993 1033573475 /nfs/dbraw/zinc/57/34/75/1033573475.db2.gz CQFDBTJRMAKVTG-HZPDHXFCSA-N 0 3 347.528 4.386 20 30 EIEDHN CC(C)(C#N)c1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000614178762 1033589356 /nfs/dbraw/zinc/58/93/56/1033589356.db2.gz CZBWCCHCBGYVPS-UHFFFAOYSA-N 0 3 337.423 4.421 20 30 EIEDHN CC(C)(C#N)c1ccc(CN2CC(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000614176964 1033595326 /nfs/dbraw/zinc/59/53/26/1033595326.db2.gz COGVFLCLAFUTSL-UHFFFAOYSA-N 0 3 340.417 4.440 20 30 EIEDHN Cc1ccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)c(F)c1 ZINC000433025880 1033687017 /nfs/dbraw/zinc/68/70/17/1033687017.db2.gz BNOPEWCTSIRLNC-GOSISDBHSA-N 0 3 339.414 4.097 20 30 EIEDHN Cc1cc(C)cc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433038327 1033703962 /nfs/dbraw/zinc/70/39/62/1033703962.db2.gz JFBYNYLXUMECKS-FQEVSTJZSA-N 0 3 335.451 4.267 20 30 EIEDHN Cc1ccc(NC(=O)[C@@H](N[C@H]2CC[C@@H](CC#N)C2)c2ccccc2)cc1 ZINC000419263156 1033985758 /nfs/dbraw/zinc/98/57/58/1033985758.db2.gz VBUISQNGPOQIPO-YYWHXJBOSA-N 0 3 347.462 4.347 20 30 EIEDHN Cc1csc(C2(NCCCOc3cccc(C#N)c3)CCCC2)n1 ZINC000129231167 1034546755 /nfs/dbraw/zinc/54/67/55/1034546755.db2.gz VZMDDBAJLIYFGB-UHFFFAOYSA-N 0 3 341.480 4.151 20 30 EIEDHN N#Cc1ccc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000513185179 1034832013 /nfs/dbraw/zinc/83/20/13/1034832013.db2.gz SGLVFPCYRXMKCF-LJQANCHMSA-N 0 3 325.843 4.461 20 30 EIEDHN CCC1CCC(N(C)CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000513404003 1034920398 /nfs/dbraw/zinc/92/03/98/1034920398.db2.gz ZLKIQFMKMKYTKP-UHFFFAOYSA-N 0 3 333.863 4.051 20 30 EIEDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 ZINC000182586317 1034970848 /nfs/dbraw/zinc/97/08/48/1034970848.db2.gz OQLQQSUBIHPVHY-GUYCJALGSA-N 0 3 341.842 4.280 20 30 EIEDHN CC[C@@H](CNCc1ccc(C#N)o1)Oc1ccccc1C(F)(F)F ZINC000236987133 1035229962 /nfs/dbraw/zinc/22/99/62/1035229962.db2.gz DGVDTWRQIKLKNC-LBPRGKRZSA-N 0 3 338.329 4.117 20 30 EIEDHN Cc1ccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1C ZINC000419838076 1035423560 /nfs/dbraw/zinc/42/35/60/1035423560.db2.gz NJPYXFKIALDUEH-AWEZNQCLSA-N 0 3 327.453 4.303 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000419838860 1035423731 /nfs/dbraw/zinc/42/37/31/1035423731.db2.gz PMTYIOGCJVWSNE-JTQLQIEISA-N 0 3 333.844 4.340 20 30 EIEDHN COc1cccc(CNCc2ccc(C#N)cc2C(F)(F)F)c1C ZINC000594997704 1035523531 /nfs/dbraw/zinc/52/35/31/1035523531.db2.gz BCTNMRITWXDRTG-UHFFFAOYSA-N 0 3 334.341 4.184 20 30 EIEDHN CC(C)[C@H](O)[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595096893 1035606207 /nfs/dbraw/zinc/60/62/07/1035606207.db2.gz NRZXUQDTVVMOTL-VSKRKVRLSA-N 0 3 334.463 4.283 20 30 EIEDHN C=CCC[C@@H](O)CN1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000575131191 1035711089 /nfs/dbraw/zinc/71/10/89/1035711089.db2.gz XTBNMFFQPDAWRK-CYBMUJFWSA-N 0 3 348.899 4.149 20 30 EIEDHN CC(C)(C)OC(=O)[C@H]1CN(CCCC(C)(C)C#N)Cc2ccccc21 ZINC000595614305 1035752332 /nfs/dbraw/zinc/75/23/32/1035752332.db2.gz KIGPQOLIQCHTMR-SFHVURJKSA-N 0 3 342.483 4.257 20 30 EIEDHN C[C@]1(Cc2ccccc2C(F)(F)F)CCCN1CCOCCC#N ZINC000595864846 1035801296 /nfs/dbraw/zinc/80/12/96/1035801296.db2.gz DSFJQWOEVBCNAA-QGZVFWFLSA-N 0 3 340.389 4.033 20 30 EIEDHN COc1ccc(CN2CCC3(C=Cc4ccccc4O3)CC2)cc1C#N ZINC000595877021 1035806417 /nfs/dbraw/zinc/80/64/17/1035806417.db2.gz GSQKRFYEBNMSJM-UHFFFAOYSA-N 0 3 346.430 4.007 20 30 EIEDHN Cc1cccc([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000485331761 1035826475 /nfs/dbraw/zinc/82/64/75/1035826475.db2.gz OEIWRWWXQQEVLK-UTKZUKDTSA-N 0 3 347.462 4.021 20 30 EIEDHN CCc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000586794815 1035849817 /nfs/dbraw/zinc/84/98/17/1035849817.db2.gz MSRPCLNDDZPZDM-UHFFFAOYSA-N 0 3 337.442 4.336 20 30 EIEDHN CC(C)(C#N)c1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000588214956 1036302724 /nfs/dbraw/zinc/30/27/24/1036302724.db2.gz KCRWVWZIRGDRTP-IBGZPJMESA-N 0 3 342.870 4.354 20 30 EIEDHN N#Cc1cccc(CN2CCC(Nc3nccc4sccc43)CC2)c1 ZINC000593515615 1036498536 /nfs/dbraw/zinc/49/85/36/1036498536.db2.gz OLLXIWLRIXECLR-UHFFFAOYSA-N 0 3 348.475 4.244 20 30 EIEDHN COc1ccc([C@@H](Cc2ccccc2)NCc2ccnc(C#N)c2)cc1 ZINC000589291179 1036733946 /nfs/dbraw/zinc/73/39/46/1036733946.db2.gz SMJZWDUPRAZOON-JOCHJYFZSA-N 0 3 343.430 4.035 20 30 EIEDHN C[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000170686268 1036775810 /nfs/dbraw/zinc/77/58/10/1036775810.db2.gz BVBVSYYCONTYGM-ZDUSSCGKSA-N 0 3 334.341 4.459 20 30 EIEDHN N#Cc1ccc2ncc(CN[C@@H]3CCCc4ccc(Cl)cc43)n2c1 ZINC000599022914 1036850160 /nfs/dbraw/zinc/85/01/60/1036850160.db2.gz ONNCFGOPPFNRCT-GOSISDBHSA-N 0 3 336.826 4.027 20 30 EIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000603681096 1036944936 /nfs/dbraw/zinc/94/49/36/1036944936.db2.gz JAJLWICJRPSQHA-UHFFFAOYSA-N 0 3 342.826 4.353 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000590190281 1037008905 /nfs/dbraw/zinc/00/89/05/1037008905.db2.gz QWAOOVNTZZWMPN-OAHLLOKOSA-N 0 3 334.398 4.042 20 30 EIEDHN CC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C(=O)OC)cc1 ZINC000590254360 1037021922 /nfs/dbraw/zinc/02/19/22/1037021922.db2.gz KZVANBXESWNAAP-UXHICEINSA-N 0 3 334.419 4.073 20 30 EIEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cccc2ccccc21 ZINC000603894742 1037080767 /nfs/dbraw/zinc/08/07/67/1037080767.db2.gz AVWCUPCERJVUQT-UHFFFAOYSA-N 0 3 330.431 4.360 20 30 EIEDHN CCCN(C(=O)c1cccs1)C1CCN(CCC(C)(C)C#N)CC1 ZINC000272071118 1037093187 /nfs/dbraw/zinc/09/31/87/1037093187.db2.gz ZDXNGDOMHSKNLE-UHFFFAOYSA-N 0 3 347.528 4.005 20 30 EIEDHN N#CCCOCCN(Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000599674019 1037114814 /nfs/dbraw/zinc/11/48/14/1037114814.db2.gz YLEONIXCTXQTCV-UHFFFAOYSA-N 0 3 339.464 4.162 20 30 EIEDHN N#Cc1ccc2ncc(CNC3(c4cccc(Cl)c4)CCC3)n2c1 ZINC000592529412 1037826165 /nfs/dbraw/zinc/82/61/65/1037826165.db2.gz YQJPPMIXIZDHAA-UHFFFAOYSA-N 0 3 336.826 4.028 20 30 EIEDHN C=CCCCN(C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000605738765 1037858748 /nfs/dbraw/zinc/85/87/48/1037858748.db2.gz PTYPCGKOBSCPCB-FQEVSTJZSA-N 0 3 342.508 4.160 20 30 EIEDHN Cc1ccc(-c2nn(C)cc2CN[C@H]2CCCc3cc(C#N)ccc32)o1 ZINC000592368421 1037901447 /nfs/dbraw/zinc/90/14/47/1037901447.db2.gz JHINNWIAEKTEKC-IBGZPJMESA-N 0 3 346.434 4.027 20 30 EIEDHN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)CCCSCC#N ZINC000593106103 1037966069 /nfs/dbraw/zinc/96/60/69/1037966069.db2.gz XKKLCQSRBMQFRU-HNNXBMFYSA-N 0 3 338.904 4.305 20 30 EIEDHN C=CCN(CC=C)C(=O)CN(CC1CCC1)[C@H](C)c1ccccc1 ZINC000607158823 1037975591 /nfs/dbraw/zinc/97/55/91/1037975591.db2.gz FWXHSBGKAIOZGX-GOSISDBHSA-N 0 3 326.484 4.050 20 30 EIEDHN CCc1cccc(CNCc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000593689299 1038146302 /nfs/dbraw/zinc/14/63/02/1038146302.db2.gz ZHKRUNHUWSLSPW-UHFFFAOYSA-N 0 3 344.462 4.316 20 30 EIEDHN C=CCN(CCOc1ccc(OCC)cc1)Cc1cccc(C#N)c1 ZINC000063300398 1038198740 /nfs/dbraw/zinc/19/87/40/1038198740.db2.gz MJWHFWSZWQGENR-UHFFFAOYSA-N 0 3 336.435 4.024 20 30 EIEDHN CC(C)OC(=O)c1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594033301 1038233382 /nfs/dbraw/zinc/23/33/82/1038233382.db2.gz MRQJIFOKNJBVIM-UHFFFAOYSA-N 0 3 348.446 4.292 20 30 EIEDHN C=C(C)CN(CCCc1cnccc1C)Cc1cnn(C(C)C)c1 ZINC000574486528 1038248440 /nfs/dbraw/zinc/24/84/40/1038248440.db2.gz IMUJBEPDUPXHKC-UHFFFAOYSA-N 0 3 326.488 4.178 20 30 EIEDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1F ZINC000172671988 1038249641 /nfs/dbraw/zinc/24/96/41/1038249641.db2.gz IHDDZZFRWJZIMI-HNNXBMFYSA-N 0 3 325.431 4.394 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000172688618 1038268784 /nfs/dbraw/zinc/26/87/84/1038268784.db2.gz MKEKKSSWVDAZBU-LBPRGKRZSA-N 0 3 334.341 4.436 20 30 EIEDHN CCc1ccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)N(C)C)cc1 ZINC000912777904 1038290923 /nfs/dbraw/zinc/29/09/23/1038290923.db2.gz XVRCCSGOOHBAKX-VLDJDNEVSA-N 0 3 347.462 4.225 20 30 EIEDHN CC(C)c1ccc([C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C)cc1 ZINC000594426768 1038341805 /nfs/dbraw/zinc/34/18/05/1038341805.db2.gz RWYGJRMNFLFXMB-RBUKOAKNSA-N 0 3 329.488 4.035 20 30 EIEDHN COC(=O)c1ccc2c(c1)[C@@H](N[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000594496815 1038346708 /nfs/dbraw/zinc/34/67/08/1038346708.db2.gz WNWUOHPTIMBBOP-VLIAUNLRSA-N 0 3 334.419 4.073 20 30 EIEDHN N#CC1(c2ccc(CNCc3ccc(Br)s3)cc2)CC1 ZINC000594915995 1038427521 /nfs/dbraw/zinc/42/75/21/1038427521.db2.gz ZOPOYJDSPASLPP-UHFFFAOYSA-N 0 3 347.281 4.356 20 30 EIEDHN N#CCC1(CNCc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC000594934959 1038490330 /nfs/dbraw/zinc/49/03/30/1038490330.db2.gz AEKZTFXUANRARH-UHFFFAOYSA-N 0 3 342.389 4.327 20 30 EIEDHN COc1cc(CNC(C)(C)c2cccc(C#N)c2)ccc1OC(F)F ZINC000594964793 1038562846 /nfs/dbraw/zinc/56/28/46/1038562846.db2.gz GIKSBBMETSGTSD-UHFFFAOYSA-N 0 3 346.377 4.193 20 30 EIEDHN N#C[C@H]1CC[C@@H](N[C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000424327527 1038807193 /nfs/dbraw/zinc/80/71/93/1038807193.db2.gz MTBSWEZSYOQMMM-OWRWGESLSA-N 0 3 337.236 4.321 20 30 EIEDHN C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@@H](CCC#N)c1ccccc1 ZINC000090665561 1039268017 /nfs/dbraw/zinc/26/80/17/1039268017.db2.gz YTIYFCAVHLNUES-KXBFYZLASA-N 0 3 339.414 4.177 20 30 EIEDHN C=C(C)[C@H](NCCOc1ccccc1OC)c1ccc(F)c(F)c1 ZINC000481595528 1039612250 /nfs/dbraw/zinc/61/22/50/1039612250.db2.gz HKVMGJZFMPDUFA-IBGZPJMESA-N 0 3 333.378 4.259 20 30 EIEDHN CCc1ccc([C@@H](CO)N[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481680328 1039721103 /nfs/dbraw/zinc/72/11/03/1039721103.db2.gz YVIOGMIPBXACLG-FCHUYYIVSA-N 0 3 334.463 4.211 20 30 EIEDHN C=CCC[C@H](NC(=O)NC1CCN(CC(=C)C)CC1)c1ccccc1 ZINC000158187891 1040157594 /nfs/dbraw/zinc/15/75/94/1040157594.db2.gz YNTZZWCCIHAXAV-FQEVSTJZSA-N 0 3 341.499 4.034 20 30 EIEDHN N#CCC[C@@H](NCCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000553385926 1040200086 /nfs/dbraw/zinc/20/00/86/1040200086.db2.gz HVXOQBIQYNJOPF-GOSISDBHSA-N 0 3 341.842 4.303 20 30 EIEDHN C=C[C@H](CC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000535340150 1040204080 /nfs/dbraw/zinc/20/40/80/1040204080.db2.gz JYDCQJSFRSOVJB-NQIIRXRSSA-N 0 3 336.479 4.074 20 30 EIEDHN C[C@@H](NCc1cc(N(C)C)nc2ccccc12)c1ccc(C#N)c(F)c1 ZINC000539608413 1040604902 /nfs/dbraw/zinc/60/49/02/1040604902.db2.gz KFUHYGFEMKFJBC-CQSZACIVSA-N 0 3 348.425 4.162 20 30 EIEDHN N#Cc1cc(CN2CCC[C@H](c3nc4ccccc4o3)C2)ccc1F ZINC000160796469 1040757897 /nfs/dbraw/zinc/75/78/97/1040757897.db2.gz VVPYGONSNRPYGF-HNNXBMFYSA-N 0 3 335.382 4.218 20 30 EIEDHN CCN(C)c1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000483186603 1040762721 /nfs/dbraw/zinc/76/27/21/1040762721.db2.gz QYMIEILYBUGAMY-UHFFFAOYSA-N 0 3 336.483 4.068 20 30 EIEDHN C=CCSc1ccccc1NC(=O)CN(CC1CC1)C1CCC1 ZINC000483299063 1040809602 /nfs/dbraw/zinc/80/96/02/1040809602.db2.gz WUGZLHDJCHBTFD-UHFFFAOYSA-N 0 3 330.497 4.168 20 30 EIEDHN COc1cc(C)c(C)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000595061005 1040819221 /nfs/dbraw/zinc/81/92/21/1040819221.db2.gz JLAYNWHGNURMEH-UHFFFAOYSA-N 0 3 349.478 4.260 20 30 EIEDHN C=CCOc1ccc(CN2CCS[C@H]3CCCC[C@H]32)cc1OC ZINC000539851463 1040841003 /nfs/dbraw/zinc/84/10/03/1040841003.db2.gz WGXLUWDRFZEFAF-APWZRJJASA-N 0 3 333.497 4.120 20 30 EIEDHN C=CCOc1ccccc1CNC[C@H](OC)c1ccc(Cl)cc1 ZINC000462743500 1040892155 /nfs/dbraw/zinc/89/21/55/1040892155.db2.gz SRXZONQNYRKTGJ-IBGZPJMESA-N 0 3 331.843 4.382 20 30 EIEDHN C=CCOc1ccccc1CNC[C@H](OC)c1cccc(Cl)c1 ZINC000462756889 1040906535 /nfs/dbraw/zinc/90/65/35/1040906535.db2.gz RGKMTLKYRUCKSZ-IBGZPJMESA-N 0 3 331.843 4.382 20 30 EIEDHN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1cccc(C#N)c1F ZINC000538139083 1041072622 /nfs/dbraw/zinc/07/26/22/1041072622.db2.gz JYIRNCZJGNCVRM-UHFFFAOYSA-N 0 3 348.425 4.152 20 30 EIEDHN C[C@H](NCC#Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC000484076890 1041108809 /nfs/dbraw/zinc/10/88/09/1041108809.db2.gz VLNMDPDCBHEQTP-HNNXBMFYSA-N 0 3 333.353 4.330 20 30 EIEDHN Clc1cccc(C#CCN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000538222961 1041182003 /nfs/dbraw/zinc/18/20/03/1041182003.db2.gz FINXADSVZRBZPG-RXVVDRJESA-N 0 3 339.866 4.449 20 30 EIEDHN Cc1cccc([C@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1C ZINC000540389544 1041424274 /nfs/dbraw/zinc/42/42/74/1041424274.db2.gz NTWSKNXCRKUIGA-AWEZNQCLSA-N 0 3 341.842 4.118 20 30 EIEDHN CN(CCc1ccc(Br)cc1)Cc1ccc(C#N)s1 ZINC000538739438 1041510470 /nfs/dbraw/zinc/51/04/70/1041510470.db2.gz HJUIEVUWEQODJS-UHFFFAOYSA-N 0 3 335.270 4.057 20 30 EIEDHN CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC(C)(C)C ZINC000463371313 1041538248 /nfs/dbraw/zinc/53/82/48/1041538248.db2.gz PEOSBJGKBGFLSQ-OAHLLOKOSA-N 0 3 347.528 4.245 20 30 EIEDHN CC(C)(CCC#N)CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000506025169 1041757963 /nfs/dbraw/zinc/75/79/63/1041757963.db2.gz CMOQDXUDAOJZHF-UHFFFAOYSA-N 0 3 335.495 4.287 20 30 EIEDHN CCCOc1ccccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540973252 1041758686 /nfs/dbraw/zinc/75/86/86/1041758686.db2.gz PEYXJIUWPPJNDB-UHFFFAOYSA-N 0 3 349.478 4.424 20 30 EIEDHN CN(c1ccccc1)c1ccc(CN2CCC(CCC#N)CC2)cn1 ZINC000517375212 1041994688 /nfs/dbraw/zinc/99/46/88/1041994688.db2.gz INXFDCAGDIPSRH-UHFFFAOYSA-N 0 3 334.467 4.365 20 30 EIEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000464564995 1042065083 /nfs/dbraw/zinc/06/50/83/1042065083.db2.gz ZPSDZDPBECREEL-DLBZAZTESA-N 0 3 334.529 4.240 20 30 EIEDHN C[C@H](NC[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)cc1F ZINC000541904623 1042170941 /nfs/dbraw/zinc/17/09/41/1042170941.db2.gz DPDDJKJCVVJOEF-DJJJIMSYSA-N 0 3 345.849 4.304 20 30 EIEDHN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2ccc(C#N)cc2OC)c1 ZINC000542247657 1042358426 /nfs/dbraw/zinc/35/84/26/1042358426.db2.gz FDOMYQLXFHOTMP-QRWLVFNGSA-N 0 3 336.435 4.159 20 30 EIEDHN Cc1cc(CNCc2ccc(OCC(F)(F)F)cc2)ccc1C#N ZINC000443972394 1042705077 /nfs/dbraw/zinc/70/50/77/1042705077.db2.gz MJWUKNACLZJJGQ-UHFFFAOYSA-N 0 3 334.341 4.098 20 30 EIEDHN C=CCc1cc(CN[C@H](C)c2ccc(C)c(F)c2)cc(OC)c1O ZINC000088765996 1042922532 /nfs/dbraw/zinc/92/25/32/1042922532.db2.gz XJVCCGXUKWUNBU-CQSZACIVSA-N 0 3 329.415 4.428 20 30 EIEDHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000493571987 1042931726 /nfs/dbraw/zinc/93/17/26/1042931726.db2.gz IZUGQMCNMJWUCX-WMZOPIPTSA-N 0 3 338.455 4.303 20 30 EIEDHN CC(C)c1ccc([C@@H](NCc2cnc3c(C#N)cnn3c2)C(C)C)cc1 ZINC000520617701 1042941065 /nfs/dbraw/zinc/94/10/65/1042941065.db2.gz XYOLCDSQAQLLFQ-FQEVSTJZSA-N 0 3 347.466 4.211 20 30 EIEDHN CC(C)c1ccc([C@H](NCc2cnc3c(C#N)cnn3c2)C(C)C)cc1 ZINC000520617702 1042941401 /nfs/dbraw/zinc/94/14/01/1042941401.db2.gz XYOLCDSQAQLLFQ-HXUWFJFHSA-N 0 3 347.466 4.211 20 30 EIEDHN C=C(C)COc1cccc(NC2CCN(CCC(F)(F)F)CC2)c1 ZINC000183501020 1043047705 /nfs/dbraw/zinc/04/77/05/1043047705.db2.gz RCCMXVQXNFCUOP-UHFFFAOYSA-N 0 3 342.405 4.470 20 30 EIEDHN C=CCC[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000427645190 1043106873 /nfs/dbraw/zinc/10/68/73/1043106873.db2.gz MHFJYHRHDXTBPV-BHDDXSALSA-N 0 3 348.490 4.298 20 30 EIEDHN C=C(C)[C@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc(F)c(F)c1 ZINC000184847033 1043133947 /nfs/dbraw/zinc/13/39/47/1043133947.db2.gz ZRGPDWUPYAGMNS-IBGZPJMESA-N 0 3 344.405 4.074 20 30 EIEDHN N#C[C@H]1CCC[C@H](NCc2ccc(Br)cc2Cl)C1 ZINC000185804569 1043221206 /nfs/dbraw/zinc/22/12/06/1043221206.db2.gz LUHZILCYKFUUEJ-GWCFXTLKSA-N 0 3 327.653 4.274 20 30 EIEDHN Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(OCC(F)(F)F)c1 ZINC000185862420 1043226232 /nfs/dbraw/zinc/22/62/32/1043226232.db2.gz FMSNEDNJNDMOLL-ZFWWWQNUSA-N 0 3 326.362 4.108 20 30 EIEDHN C=CCOc1ccc(CN[C@H]2CCc3cc(OC)c(OC)cc32)cc1 ZINC000287385569 1043371904 /nfs/dbraw/zinc/37/19/04/1043371904.db2.gz IMUAXWWQDHIEBT-IBGZPJMESA-N 0 3 339.435 4.046 20 30 EIEDHN Clc1ccc(C#CCN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000494445925 1043490593 /nfs/dbraw/zinc/49/05/93/1043490593.db2.gz SQMFZUGKLNVLJZ-OALUTQOASA-N 0 3 346.257 4.465 20 30 EIEDHN C=CCc1cc(CNCc2ccc(CC)s2)cc(OC)c1OC ZINC000731218138 1043723386 /nfs/dbraw/zinc/72/33/86/1043723386.db2.gz PKOKXPUJJFSGRH-UHFFFAOYSA-N 0 3 331.481 4.346 20 30 EIEDHN C=CCCOCCN[C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000224759709 1043847407 /nfs/dbraw/zinc/84/74/07/1043847407.db2.gz WDVZPQGLGXAOLO-LBPRGKRZSA-N 0 3 338.245 4.439 20 30 EIEDHN N#CC1CCC(CN[C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000442874235 1043872821 /nfs/dbraw/zinc/87/28/21/1043872821.db2.gz STPXLAMLYCBMOZ-WSNMIEGMSA-N 0 3 341.405 4.369 20 30 EIEDHN C=CCc1cc(OC)cc(CN(C)Cc2cccc(Cl)c2)c1O ZINC000732439683 1043925309 /nfs/dbraw/zinc/92/53/09/1043925309.db2.gz NIRPSICSPKXZRJ-UHFFFAOYSA-N 0 3 331.843 4.415 20 30 EIEDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000011047454 1043944831 /nfs/dbraw/zinc/94/48/31/1043944831.db2.gz WGHHVHPFHUUAOK-GUYCJALGSA-N 0 3 341.842 4.280 20 30 EIEDHN C#CCCOc1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000733326168 1044191531 /nfs/dbraw/zinc/19/15/31/1044191531.db2.gz LTWNJCGTRVFSFG-UHFFFAOYSA-N 0 3 333.353 4.397 20 30 EIEDHN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1OC(F)F ZINC000174430908 1044270795 /nfs/dbraw/zinc/27/07/95/1044270795.db2.gz XLZHMGRRFWFRDC-GFCCVEGCSA-N 0 3 332.350 4.019 20 30 EIEDHN C=CC[C@@H](C)N[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000116907828 1044318477 /nfs/dbraw/zinc/31/84/77/1044318477.db2.gz NZDCDZITPLNMLQ-UZLBHIALSA-N 0 3 338.451 4.319 20 30 EIEDHN C[C@@H]1C[C@H](C)CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000443644947 1044603991 /nfs/dbraw/zinc/60/39/91/1044603991.db2.gz ZOVRZXRHSUDYJB-IAGOWNOFSA-N 0 3 337.467 4.106 20 30 EIEDHN CC[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)N(CC)CC ZINC000736003302 1044887882 /nfs/dbraw/zinc/88/78/82/1044887882.db2.gz XOISJDIBYPPEBF-LEWJYISDSA-N 0 3 349.478 4.401 20 30 EIEDHN N#CC(C(=O)CC1CCSCC1)c1nc2ccccc2n1C(F)F ZINC000762068605 1044890812 /nfs/dbraw/zinc/89/08/12/1044890812.db2.gz LJNQMNVEQPDSRF-LBPRGKRZSA-N 0 3 349.406 4.141 20 30 EIEDHN Cc1c(CNCc2ccc(C)c(C#N)c2)sc2nc(C)nc(C)c12 ZINC000922759807 1044930392 /nfs/dbraw/zinc/93/03/92/1044930392.db2.gz UQIBHKAXMTUDFL-UHFFFAOYSA-N 0 3 336.464 4.086 20 30 EIEDHN CCCCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](CC)c1ccccc1 ZINC000303671059 1045051081 /nfs/dbraw/zinc/05/10/81/1045051081.db2.gz YRHSZCDYVXACJH-PZJWPPBQSA-N 0 3 341.499 4.048 20 30 EIEDHN N#Cc1ccc(-c2cccc(CNCc3cnc4ccccn34)c2)s1 ZINC000740013326 1045180380 /nfs/dbraw/zinc/18/03/80/1045180380.db2.gz DJBDMYGOGUIORT-UHFFFAOYSA-N 0 3 344.443 4.224 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)c2ccccc2Cl)c([O-])c1 ZINC000740763880 1045218672 /nfs/dbraw/zinc/21/86/72/1045218672.db2.gz SAVODAIKLXEARF-VFAFIFLJSA-N 0 3 346.858 4.044 20 30 EIEDHN C=CC[C@H](N[C@@H](CC)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000766020993 1045234169 /nfs/dbraw/zinc/23/41/69/1045234169.db2.gz RZEQHGOLZDPLII-ROUUACIJSA-N 0 3 326.440 4.457 20 30 EIEDHN C=CC[C@@H](N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccncc1 ZINC000766021936 1045236636 /nfs/dbraw/zinc/23/66/36/1045236636.db2.gz VOZHIKIRIGCQFT-RDTXWAMCSA-N 0 3 335.451 4.279 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](Cn1cccn1)c1ccccc1 ZINC000611393108 1045299505 /nfs/dbraw/zinc/29/95/05/1045299505.db2.gz JQZGHRWAXHWYIS-YADHBBJMSA-N 0 3 342.446 4.163 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](Cn1cccn1)c1ccccc1 ZINC000611393105 1045299693 /nfs/dbraw/zinc/29/96/93/1045299693.db2.gz JQZGHRWAXHWYIS-FCHUYYIVSA-N 0 3 342.446 4.163 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccnc(N2CCCCC2)c1 ZINC000611391145 1045302040 /nfs/dbraw/zinc/30/20/40/1045302040.db2.gz VTWACXSNCXKHDM-OAQYLSRUSA-N 0 3 346.478 4.111 20 30 EIEDHN CCC(=O)Nc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390879 1045302516 /nfs/dbraw/zinc/30/25/16/1045302516.db2.gz IPCRDMHIJTUGOG-HXUWFJFHSA-N 0 3 333.435 4.074 20 30 EIEDHN Cc1ccc(NC(=O)C[C@H](C)NC2(c3cccc(C#N)c3)CC2)c(C)c1 ZINC000272332848 1045417192 /nfs/dbraw/zinc/41/71/92/1045417192.db2.gz YDMDSNXOSWVCTB-KRWDZBQOSA-N 0 3 347.462 4.171 20 30 EIEDHN CN(Cc1ccccc1)Cc1cccc(C(=O)OCC2(C#N)CCC2)c1 ZINC000768091679 1045708069 /nfs/dbraw/zinc/70/80/69/1045708069.db2.gz QJXMAXAAQZAPMA-UHFFFAOYSA-N 0 3 348.446 4.169 20 30 EIEDHN CC(C)(C#N)CCCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000768718399 1045832170 /nfs/dbraw/zinc/83/21/70/1045832170.db2.gz LOSAWDRONYJTFI-UHFFFAOYSA-N 0 3 342.483 4.162 20 30 EIEDHN N#CC(C(=O)C=CSCc1ccco1)c1nccc2ccccc21 ZINC000792100345 1045856164 /nfs/dbraw/zinc/85/61/64/1045856164.db2.gz DPACBOCOUNTROB-NLZINVLXSA-N 0 3 334.400 4.451 20 30 EIEDHN CCO[C@@H](C(=O)C(C#N)c1nccc2ccccc21)c1ccccc1 ZINC000792100856 1045856382 /nfs/dbraw/zinc/85/63/82/1045856382.db2.gz MSMKVAYADPRQDO-GHTZIAJQSA-N 0 3 330.387 4.189 20 30 EIEDHN Cc1cc(CN(C)[C@H](C)c2cccc(N3CCOC3=O)c2)ccc1C#N ZINC000496307161 1045899885 /nfs/dbraw/zinc/89/98/85/1045899885.db2.gz NCKFBRYXQOQQQA-MRXNPFEDSA-N 0 3 349.434 4.016 20 30 EIEDHN C=CCN1CCC[C@H]1c1ccc(NCC(=O)Cc2ccccc2)cc1 ZINC001170187537 1045919678 /nfs/dbraw/zinc/91/96/78/1045919678.db2.gz ZIXGUUHTWJXGPO-QFIPXVFZSA-N 0 3 334.463 4.233 20 30 EIEDHN COc1ccc(C(C)=NNc2cccc(C)c2)cc1CN1CCCC1 ZINC000916256071 1045966152 /nfs/dbraw/zinc/96/61/52/1045966152.db2.gz KRSLYKVSKLEDAQ-UHFFFAOYSA-N 0 3 337.467 4.436 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OCc2ccccc2F)CC1 ZINC000614963837 1045968704 /nfs/dbraw/zinc/96/87/04/1045968704.db2.gz LFIIYHPBRBJKHE-MRXNPFEDSA-N 0 3 338.426 4.440 20 30 EIEDHN N#CC1(c2ccccc2)CCC(NCC(=O)c2cccc(F)c2)CC1 ZINC001170373301 1046030842 /nfs/dbraw/zinc/03/08/42/1046030842.db2.gz BIXLMNJRGHAVRF-UHFFFAOYSA-N 0 3 336.410 4.002 20 30 EIEDHN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000792996091 1046121191 /nfs/dbraw/zinc/12/11/91/1046121191.db2.gz OZCLMMSAKXCSQB-CYBMUJFWSA-N 0 3 347.384 4.494 20 30 EIEDHN N#CC(C(=O)CCc1nc2ccccc2o1)c1ccc2ccccc2n1 ZINC000916849724 1046373912 /nfs/dbraw/zinc/37/39/12/1046373912.db2.gz ZGIHPSSZUXIQKY-OAHLLOKOSA-N 0 3 341.370 4.185 20 30 EIEDHN Cc1oc(NC(=O)CN[C@H](CC(C)C)c2ccccc2)c(C#N)c1C ZINC000192513338 1046390374 /nfs/dbraw/zinc/39/03/74/1046390374.db2.gz VYXJGXZYQHRMJE-GOSISDBHSA-N 0 3 339.439 4.084 20 30 EIEDHN C[C@H](c1ccccc1)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917052563 1046578572 /nfs/dbraw/zinc/57/85/72/1046578572.db2.gz WTSZZENLEQMQPG-GDBMZVCRSA-N 0 3 349.459 4.166 20 30 EIEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1OC ZINC000080453561 1046620462 /nfs/dbraw/zinc/62/04/62/1046620462.db2.gz AZZHXGHTXOWSDF-CYBMUJFWSA-N 0 3 344.436 4.164 20 30 EIEDHN C[C@@H](OC(=O)c1cccc(CN2CCCC2)c1)c1cccc(C#N)c1 ZINC000785713669 1046743641 /nfs/dbraw/zinc/74/36/41/1046743641.db2.gz IPMOWHCIRODMHH-MRXNPFEDSA-N 0 3 334.419 4.072 20 30 EIEDHN N#CCCn1cc(CN2CC3(C2)CCCCC3)c(-c2ccccc2)n1 ZINC000459598157 1046804804 /nfs/dbraw/zinc/80/48/04/1046804804.db2.gz ROEGAMACFYMQKF-UHFFFAOYSA-N 0 3 334.467 4.230 20 30 EIEDHN N#CC(C(=O)CCCC1CCCC1)C(=O)NCc1cccc(Cl)c1 ZINC000786533679 1046845745 /nfs/dbraw/zinc/84/57/45/1046845745.db2.gz HJFFXQCRCYCREH-QGZVFWFLSA-N 0 3 346.858 4.026 20 30 EIEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(N2CCCC2=O)cc1 ZINC000787025457 1046893785 /nfs/dbraw/zinc/89/37/85/1046893785.db2.gz GVQIFJBDJSXKRP-BTYIYWSLSA-N 0 3 345.446 4.023 20 30 EIEDHN C=CCC[C@@H](NCC(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000537131833 1046971996 /nfs/dbraw/zinc/97/19/96/1046971996.db2.gz CWTSELQTWRJNAU-OAHLLOKOSA-N 0 3 342.405 4.217 20 30 EIEDHN CN(C)[C@@H](C/N=C\c1c(O)ccc2ccccc21)c1ccc(F)cc1 ZINC000917557243 1046993504 /nfs/dbraw/zinc/99/35/04/1046993504.db2.gz CDQBYPMRADIAKM-YTLMXASBSA-N 0 3 336.410 4.406 20 30 EIEDHN C[C@H]1C[C@H]1c1ccc(CNCCSCc2ccccc2C#N)o1 ZINC000537215433 1047032253 /nfs/dbraw/zinc/03/22/53/1047032253.db2.gz FMMCNPBPWMYIGG-KBXCAEBGSA-N 0 3 326.465 4.298 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCCCC#N)cc1 ZINC000805854993 1047039111 /nfs/dbraw/zinc/03/91/11/1047039111.db2.gz BGLGGXOJGGLBTH-CRAIPNDOSA-N 0 3 339.439 4.322 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(C#N)c(F)c1 ZINC000537406634 1047199782 /nfs/dbraw/zinc/19/97/82/1047199782.db2.gz FTSUWCYSLUBVDG-LSDHHAIUSA-N 0 3 334.398 4.295 20 30 EIEDHN C=CCN(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(C)C ZINC000918057811 1047307883 /nfs/dbraw/zinc/30/78/83/1047307883.db2.gz ZDOAZFORVVQLAX-KRWDZBQOSA-N 0 3 349.544 4.127 20 30 EIEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)c1nccn1-c1ccccc1 ZINC000806619102 1047330492 /nfs/dbraw/zinc/33/04/92/1047330492.db2.gz XSKVGDNKSPBUIB-QUCCMNQESA-N 0 3 329.447 4.158 20 30 EIEDHN Cc1cc(C#N)ccc1CN(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789360898 1047408376 /nfs/dbraw/zinc/40/83/76/1047408376.db2.gz AXNSKKGRJLRVNP-MRXNPFEDSA-N 0 3 349.434 4.016 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1 ZINC000154750148 1047500901 /nfs/dbraw/zinc/50/09/01/1047500901.db2.gz GGDLLKGBESJIPO-NRFANRHFSA-N 0 3 348.471 4.356 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2C)C(C)C)CC1 ZINC000069937384 1047511921 /nfs/dbraw/zinc/51/19/21/1047511921.db2.gz JOXOZSFRZUCCBJ-HXUWFJFHSA-N 0 3 343.515 4.032 20 30 EIEDHN CC1(C)CCc2cc(CNC3(c4cccc(C#N)c4)CC3)ccc2O1 ZINC000747923203 1047887291 /nfs/dbraw/zinc/88/72/91/1047887291.db2.gz IXIWLXWDBMSMAG-UHFFFAOYSA-N 0 3 332.447 4.441 20 30 EIEDHN C[C@H](N[C@@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000814249750 1047917506 /nfs/dbraw/zinc/91/75/06/1047917506.db2.gz NCTHMCDOAWOTNB-HOTGVXAUSA-N 0 3 349.434 4.317 20 30 EIEDHN C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808707659 1048054205 /nfs/dbraw/zinc/05/42/05/1048054205.db2.gz UZDJWBLIGQYGEP-AWEZNQCLSA-N 0 3 329.827 4.217 20 30 EIEDHN COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1C#N ZINC000808709584 1048056069 /nfs/dbraw/zinc/05/60/69/1048056069.db2.gz XUABFTYDEMJDMJ-LBPRGKRZSA-N 0 3 330.815 4.085 20 30 EIEDHN C=C1CCC(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001143678939 1048150675 /nfs/dbraw/zinc/15/06/75/1048150675.db2.gz BIUAEDNZGHJIKH-FQEVSTJZSA-N 0 3 326.484 4.076 20 30 EIEDHN C[C@@H](NCc1cccc(OCC#N)c1)c1cccc(C(F)(F)F)c1 ZINC000124806783 1048160061 /nfs/dbraw/zinc/16/00/61/1048160061.db2.gz FLLGNMOVLLJBSB-CYBMUJFWSA-N 0 3 334.341 4.459 20 30 EIEDHN CC(C)[C@H](NCc1ccc(C#N)cc1Cl)[C@@H](O)c1ccccc1 ZINC000844326513 1048294480 /nfs/dbraw/zinc/29/44/80/1048294480.db2.gz GQNIWRQEMYJKDX-OALUTQOASA-N 0 3 328.843 4.059 20 30 EIEDHN C=CCc1cc(OCC)cc(CN2CCC[C@H]2c2cc(C)no2)c1O ZINC000919939507 1048321160 /nfs/dbraw/zinc/32/11/60/1048321160.db2.gz YFBWXKKNJUCPEK-SFHVURJKSA-N 0 3 342.439 4.153 20 30 EIEDHN C#Cc1ccc(CN[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000809606056 1048414513 /nfs/dbraw/zinc/41/45/13/1048414513.db2.gz TUKLEUNMNOIGCW-GOSISDBHSA-N 0 3 342.442 4.493 20 30 EIEDHN C#Cc1ccc(CN[C@@H](C)c2cccc(OCc3ccccn3)c2)cc1 ZINC000809607730 1048415247 /nfs/dbraw/zinc/41/52/47/1048415247.db2.gz HAQYPMUKWAHSPH-SFHVURJKSA-N 0 3 342.442 4.493 20 30 EIEDHN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000920173963 1048572326 /nfs/dbraw/zinc/57/23/26/1048572326.db2.gz HYDPHKARPWQBRI-ATMXPARFSA-N 0 3 328.843 4.300 20 30 EIEDHN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000920173963 1048572338 /nfs/dbraw/zinc/57/23/38/1048572338.db2.gz HYDPHKARPWQBRI-ATMXPARFSA-N 0 3 328.843 4.300 20 30 EIEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@H](CC)CCCCCC ZINC001170598769 1048652060 /nfs/dbraw/zinc/65/20/60/1048652060.db2.gz JKGLEDMBMMYTIE-MJGOQNOKSA-N 0 3 333.520 4.271 20 30 EIEDHN CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NCc2nc(C#N)cs2)cc1 ZINC000810151814 1048657920 /nfs/dbraw/zinc/65/79/20/1048657920.db2.gz PFOCXJJXUSPTOJ-ROUUACIJSA-N 0 3 341.480 4.228 20 30 EIEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(N2CCCC2=O)cc1 ZINC000810212741 1048682524 /nfs/dbraw/zinc/68/25/24/1048682524.db2.gz WXHJQICGWLONPF-QVKFZJNVSA-N 0 3 345.446 4.023 20 30 EIEDHN C[C@@H]1[C@H](OC(=O)CCCCCC#N)CCCN1Cc1ccccc1 ZINC000816470370 1048806768 /nfs/dbraw/zinc/80/67/68/1048806768.db2.gz MQWYUASZNKRYNM-IEBWSBKVSA-N 0 3 328.456 4.057 20 30 EIEDHN COc1cccc([C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1O ZINC000846153962 1048824471 /nfs/dbraw/zinc/82/44/71/1048824471.db2.gz KQYLORLTTJJWTM-CYBMUJFWSA-N 0 3 349.352 4.122 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(-n3ccnc3)cc2)c([O-])c1 ZINC000921138547 1048856969 /nfs/dbraw/zinc/85/69/69/1048856969.db2.gz RDVROMIHYMGRON-HAHDFKILSA-N 0 3 348.450 4.043 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(-n3ccnc3)cc2)c([O-])c1 ZINC000921138548 1048857267 /nfs/dbraw/zinc/85/72/67/1048857267.db2.gz RDVROMIHYMGRON-HZHRSRAPSA-N 0 3 348.450 4.043 20 30 EIEDHN C=CCc1cc(CN[C@H](C)c2sc(C)nc2C)cc(OC)c1OC ZINC000772955892 1048931523 /nfs/dbraw/zinc/93/15/23/1048931523.db2.gz RKXGHLXYNRZJPQ-GFCCVEGCSA-N 0 3 346.496 4.356 20 30 EIEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000763453521 1049081891 /nfs/dbraw/zinc/08/18/91/1049081891.db2.gz NYVGADMSUWAZKL-ZWKOTPCHSA-N 0 3 348.874 4.022 20 30 EIEDHN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000811491821 1049086588 /nfs/dbraw/zinc/08/65/88/1049086588.db2.gz RGFJKZSUXPACFJ-ZDUSSCGKSA-N 0 3 347.384 4.494 20 30 EIEDHN Cc1ccc([C@@H](CNc2ccc(C#N)c(Cl)c2)N2CCCC2)o1 ZINC000609507628 1049122204 /nfs/dbraw/zinc/12/22/04/1049122204.db2.gz SWUZRQFFHVRAJB-QGZVFWFLSA-N 0 3 329.831 4.362 20 30 EIEDHN C#CCOc1ccccc1CN[C@H](CC)c1ccc2c(c1)CCCO2 ZINC000772987584 1049271408 /nfs/dbraw/zinc/27/14/08/1049271408.db2.gz LFLDCNKHTFSZDJ-HXUWFJFHSA-N 0 3 335.447 4.265 20 30 EIEDHN N#CC(C(=O)c1cc2cc(F)ccc2s1)c1nc2ccccc2[nH]1 ZINC000078733643 1049281334 /nfs/dbraw/zinc/28/13/34/1049281334.db2.gz IVBXMZWISRSTET-LBPRGKRZSA-N 0 3 335.363 4.407 20 30 EIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OC)c(Cl)c2)cc1 ZINC000773069020 1049564693 /nfs/dbraw/zinc/56/46/93/1049564693.db2.gz PYTBBRHSSJRVPJ-CQSZACIVSA-N 0 3 329.827 4.211 20 30 EIEDHN CCN(CC#Cc1ccc(Cl)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812853231 1049614804 /nfs/dbraw/zinc/61/48/04/1049614804.db2.gz DANIBDFGYIEYEC-OXQOHEQNSA-N 0 3 327.855 4.136 20 30 EIEDHN Cc1ccc(O[C@H](C)C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000813212822 1049707592 /nfs/dbraw/zinc/70/75/92/1049707592.db2.gz GMTNJZKEYIBTFL-DOMZBBRYSA-N 0 3 348.324 4.053 20 30 EIEDHN Cc1cccc(O[C@H](C)C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000813215735 1049709451 /nfs/dbraw/zinc/70/94/51/1049709451.db2.gz JXHQLBLWIJGJMX-IUODEOHRSA-N 0 3 348.324 4.053 20 30 EIEDHN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(C#N)cc1 ZINC000179727572 1049732757 /nfs/dbraw/zinc/73/27/57/1049732757.db2.gz IXYXARYCQVHKHQ-SPLOXXLWSA-N 0 3 334.419 4.131 20 30 EIEDHN CCCC1(CN[C@@H](CC)CC#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000813338233 1049754182 /nfs/dbraw/zinc/75/41/82/1049754182.db2.gz YCRVJOFSLVHGQT-INIZCTEOSA-N 0 3 337.508 4.086 20 30 EIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(-c2ccc(C)c(OC)c2)no1 ZINC001171920644 1049820071 /nfs/dbraw/zinc/82/00/71/1049820071.db2.gz KKHFVTLCMYICHE-WBVHZDCISA-N 0 3 341.455 4.278 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@H](c1ncccc1Cl)C1CC1 ZINC001172304024 1049874026 /nfs/dbraw/zinc/87/40/26/1049874026.db2.gz GZQVTVMFCPYWPP-UGSOOPFHSA-N 0 3 325.843 4.279 20 30 EIEDHN C=CC[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000617777306 1050102493 /nfs/dbraw/zinc/10/24/93/1050102493.db2.gz MBXZAXDNBDQFAX-SFHVURJKSA-N 0 3 326.484 4.101 20 30 EIEDHN C=CC[C@@H](NCc1ccc(OCCC)c(OC)c1)c1ccncc1 ZINC001177886105 1050319567 /nfs/dbraw/zinc/31/95/67/1050319567.db2.gz XSSAWQARLKDLCE-GOSISDBHSA-N 0 3 326.440 4.286 20 30 EIEDHN N#CC(Cc1cccs1)C(=O)Nc1ncccc1-c1ccccc1 ZINC001177905421 1050323614 /nfs/dbraw/zinc/32/36/14/1050323614.db2.gz ZJLIFDNDBYDEOQ-OAHLLOKOSA-N 0 3 333.416 4.131 20 30 EIEDHN N#Cc1ccc(F)cc1S[C@H]1CCCN(Cc2ccccc2)C1 ZINC001186756663 1050406926 /nfs/dbraw/zinc/40/69/26/1050406926.db2.gz DKZWQEIHVRCLLD-SFHVURJKSA-N 0 3 326.440 4.454 20 30 EIEDHN C=CCOC1CCC(N2Cc3cccc(Br)c3C2)CC1 ZINC001173327810 1050419882 /nfs/dbraw/zinc/41/98/82/1050419882.db2.gz STROHKFOQQHHBX-UHFFFAOYSA-N 0 3 336.273 4.279 20 30 EIEDHN C=CCOC1CCC(n2c(-c3ccccc3)cnc2[C@H](C)N)CC1 ZINC001173318438 1050441433 /nfs/dbraw/zinc/44/14/33/1050441433.db2.gz UYXAZZUEUSLPQM-ZLPCBKJTSA-N 0 3 325.456 4.256 20 30 EIEDHN C=C[C@@H](COC)NCc1ccc(-c2ccccc2Br)cc1 ZINC001178536751 1050496118 /nfs/dbraw/zinc/49/61/18/1050496118.db2.gz BFERZFDIVKFRFU-INIZCTEOSA-N 0 3 346.268 4.407 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(OCC(F)(F)F)c1 ZINC000618741620 1050501881 /nfs/dbraw/zinc/50/18/81/1050501881.db2.gz HQFJXLFGRPLOHH-SFHVURJKSA-N 0 3 346.352 4.276 20 30 EIEDHN Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1Br ZINC000618741578 1050502086 /nfs/dbraw/zinc/50/20/86/1050502086.db2.gz GKGCHYZKJIUZIL-GOSISDBHSA-N 0 3 341.252 4.406 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(Br)s1 ZINC000618741885 1050502758 /nfs/dbraw/zinc/50/27/58/1050502758.db2.gz ISDXVIKFOMOGKK-AWEZNQCLSA-N 0 3 333.254 4.159 20 30 EIEDHN COc1cc(CNCc2cc3ccnc(Cl)c3s2)ccc1C#N ZINC001178654238 1050524731 /nfs/dbraw/zinc/52/47/31/1050524731.db2.gz HGTAQVXACQEDLY-UHFFFAOYSA-N 0 3 343.839 4.120 20 30 EIEDHN COc1ccc2c(c1)[C@H](N[C@H]1CCc3cc(C#N)ccc31)CCS2 ZINC000618807376 1050535551 /nfs/dbraw/zinc/53/55/51/1050535551.db2.gz YPILLCSZWDQCER-RBUKOAKNSA-N 0 3 336.460 4.381 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CC[C@H](C)SC)cc1 ZINC000773770104 1050554124 /nfs/dbraw/zinc/55/41/24/1050554124.db2.gz LTRGSLYICFPJFB-WMLDXEAASA-N 0 3 346.496 4.208 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccnn1-c1ccc(F)cc1 ZINC001178972039 1050601163 /nfs/dbraw/zinc/60/11/63/1050601163.db2.gz OOKMNGRQCGXRGX-NRFANRHFSA-N 0 3 346.409 4.050 20 30 EIEDHN CN(C)Cc1ccccc1Nc1ccccc1-c1ccc(C#N)cn1 ZINC001173931037 1050652841 /nfs/dbraw/zinc/65/28/41/1050652841.db2.gz DGAGKKCKRIWABS-UHFFFAOYSA-N 0 3 328.419 4.425 20 30 EIEDHN N#Cc1ccc(CN2CCC(Nc3cccc4cccnc43)CC2)cc1 ZINC000182567170 1050746064 /nfs/dbraw/zinc/74/60/64/1050746064.db2.gz LVTKSKWZURZWNH-UHFFFAOYSA-N 0 3 342.446 4.183 20 30 EIEDHN N#C[C@@H]1CC[C@H](N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)C1 ZINC000619672583 1050849093 /nfs/dbraw/zinc/84/90/93/1050849093.db2.gz ALVTVZQVFGCBGL-MOXGXCLJSA-N 0 3 348.425 4.199 20 30 EIEDHN C=CCN(C/C=C\c1ccc(N(C)C)cc1)Cc1ccc(OC)cc1 ZINC001179966102 1050850326 /nfs/dbraw/zinc/85/03/26/1050850326.db2.gz GGFUCHWCKOOYPQ-SREVYHEPSA-N 0 3 336.479 4.463 20 30 EIEDHN CCc1nc2c(s1)[C@H](NCc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619755576 1050883630 /nfs/dbraw/zinc/88/36/30/1050883630.db2.gz ZVMSFGXRLDGUHN-CQSZACIVSA-N 0 3 331.872 4.398 20 30 EIEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)cc1OC ZINC000619755377 1050885831 /nfs/dbraw/zinc/88/58/31/1050885831.db2.gz GPWJARXFMIDVGP-LBPRGKRZSA-N 0 3 330.815 4.080 20 30 EIEDHN C#Cc1cccc(NC(=O)CN(C)[C@H]2CC[C@@](C)(c3ccccc3)C2)c1 ZINC001180161482 1050906863 /nfs/dbraw/zinc/90/68/63/1050906863.db2.gz FCLLYXHQVBCSDD-JTHBVZDNSA-N 0 3 346.474 4.049 20 30 EIEDHN CC(C)(C#N)c1ccc(NC2=CCCN(Cc3ccccc3)C2)cn1 ZINC001174392877 1050907699 /nfs/dbraw/zinc/90/76/99/1050907699.db2.gz LLRKDQIZPNICDD-UHFFFAOYSA-N 0 3 332.451 4.084 20 30 EIEDHN Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cc(C)cc(C)c2)c(C#N)c1C ZINC000182935404 1050909114 /nfs/dbraw/zinc/90/91/14/1050909114.db2.gz MLXQQSONUQNXQB-HUUCEWRRSA-N 0 3 339.439 4.063 20 30 EIEDHN COc1cccc2cc(CN[C@H]3CCCc4cc(C#N)ccc43)oc21 ZINC000775381738 1051164404 /nfs/dbraw/zinc/16/44/04/1051164404.db2.gz UXMYZLIXMBNKFM-IBGZPJMESA-N 0 3 332.403 4.480 20 30 EIEDHN C[C@@H](C#N)OCCN1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001174758111 1051179848 /nfs/dbraw/zinc/17/98/48/1051179848.db2.gz ACFFQVHIWPSNMU-YOEHRIQHSA-N 0 3 340.389 4.031 20 30 EIEDHN CCC[C@]1(COC)CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000773952744 1051339592 /nfs/dbraw/zinc/33/95/92/1051339592.db2.gz BPYNNLGIJYVYBM-GOSISDBHSA-N 0 3 336.863 4.023 20 30 EIEDHN COC(=O)c1cccc(CN2CCCCC[C@@H]2CC(C)C)c1C#N ZINC001191113613 1051355996 /nfs/dbraw/zinc/35/59/96/1051355996.db2.gz ZJLPZSVBUXXEFZ-QGZVFWFLSA-N 0 3 328.456 4.136 20 30 EIEDHN Brc1ccc(/C=C\CNCC#Cc2ccccc2)cc1 ZINC001181970976 1051372500 /nfs/dbraw/zinc/37/25/00/1051372500.db2.gz HCNSANSVGZHUCQ-UITAMQMPSA-N 0 3 326.237 4.104 20 30 EIEDHN C#C[C@H](N[C@@H](C)CCc1ccco1)c1ccc(Br)cc1 ZINC001182035450 1051377168 /nfs/dbraw/zinc/37/71/68/1051377168.db2.gz ZJWVBWTWLHCDLX-GUYCJALGSA-N 0 3 332.241 4.327 20 30 EIEDHN C[C@]1(Cc2ccc(Cl)c(F)c2)CCCN1Cc1cncc(C#N)c1 ZINC001175418121 1051580337 /nfs/dbraw/zinc/58/03/37/1051580337.db2.gz FKWHZNTXGZIIKF-LJQANCHMSA-N 0 3 343.833 4.343 20 30 EIEDHN CC(C)(C)n1cc(C#N)cc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175505577 1051637319 /nfs/dbraw/zinc/63/73/19/1051637319.db2.gz SXBRTSLWIFSXFV-UHFFFAOYSA-N 0 3 334.467 4.316 20 30 EIEDHN C=CCCC[C@H](NCC(=O)N(CC)CC(F)(F)F)c1ccccc1 ZINC001175776242 1051780105 /nfs/dbraw/zinc/78/01/05/1051780105.db2.gz WKIPWECXNVHKAA-INIZCTEOSA-N 0 3 342.405 4.084 20 30 EIEDHN CCN1CCN(c2ccc(Nc3ccc([C@H](C)C#N)cc3)cc2)CC1 ZINC001175781544 1051784473 /nfs/dbraw/zinc/78/44/73/1051784473.db2.gz VXCFMLLIJJRAJM-QGZVFWFLSA-N 0 3 334.467 4.199 20 30 EIEDHN C[C@@H](NCc1cc(Cl)cc(C#N)c1)c1cccc(-n2cccn2)c1 ZINC001192823148 1051813718 /nfs/dbraw/zinc/81/37/18/1051813718.db2.gz FIVBRORUHXNPHV-CQSZACIVSA-N 0 3 336.826 4.248 20 30 EIEDHN Clc1ccc(C#CCN2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC001193011038 1051852483 /nfs/dbraw/zinc/85/24/83/1051852483.db2.gz FMRPSONMATVZAI-IBGZPJMESA-N 0 3 349.865 4.206 20 30 EIEDHN C[C@@H]1CCC[C@H](CCN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001193324976 1051899916 /nfs/dbraw/zinc/89/99/16/1051899916.db2.gz XEXWBDCZNKLYKQ-DBXWQHBBSA-N 0 3 343.490 4.224 20 30 EIEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CCC1 ZINC001176380656 1052027129 /nfs/dbraw/zinc/02/71/29/1052027129.db2.gz FOMKWHPHNRVBTR-GOSISDBHSA-N 0 3 346.474 4.140 20 30 EIEDHN CCCC1CCC(N(C)CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC001194052081 1052061743 /nfs/dbraw/zinc/06/17/43/1052061743.db2.gz NUGIGSCRJLJERW-UHFFFAOYSA-N 0 3 347.528 4.466 20 30 EIEDHN C#CCN(C[C@H]1COC2(CCCCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176454139 1052077709 /nfs/dbraw/zinc/07/77/09/1052077709.db2.gz ZPNWZDSLLFMCOL-PZJWPPBQSA-N 0 3 339.479 4.075 20 30 EIEDHN C#CCN(C[C@@H]1COC2(CCCCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176454140 1052078102 /nfs/dbraw/zinc/07/81/02/1052078102.db2.gz ZPNWZDSLLFMCOL-TZIWHRDSSA-N 0 3 339.479 4.075 20 30 EIEDHN N#Cc1c(N)sc2c1CCN(CCCCc1cccc(Cl)c1)C2 ZINC001176771223 1052193955 /nfs/dbraw/zinc/19/39/55/1052193955.db2.gz IOSYYQDTCGUJCF-UHFFFAOYSA-N 0 3 345.899 4.236 20 30 EIEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc(NC(=O)C2CCC2)c1 ZINC000921501176 1052724900 /nfs/dbraw/zinc/72/49/00/1052724900.db2.gz JGCQZCVRNREEHT-UHFFFAOYSA-N 0 3 347.462 4.204 20 30 EIEDHN C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000193089399 1053023031 /nfs/dbraw/zinc/02/30/31/1053023031.db2.gz URGWCVGVWMMQHL-LAUBAEHRSA-N 0 3 347.462 4.063 20 30 EIEDHN C[C@H](CN(Cc1ccc(Cl)cc1C#N)[C@@H](C)CO)c1ccccc1 ZINC001194755006 1053095266 /nfs/dbraw/zinc/09/52/66/1053095266.db2.gz MNLLPOLVSDXIGY-CVEARBPZSA-N 0 3 342.870 4.198 20 30 EIEDHN C[C@@]1(Cc2ccccc2F)CCCN1Cc1ccc(F)c(C#N)c1 ZINC001195463156 1053408507 /nfs/dbraw/zinc/40/85/07/1053408507.db2.gz HYJSXJNRJQKTKN-FQEVSTJZSA-N 0 3 326.390 4.434 20 30 EIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCc1cc(C#N)ccc1F ZINC000552271054 1053845760 /nfs/dbraw/zinc/84/57/60/1053845760.db2.gz PKGZEMXPUHLLRH-JRGCBEDISA-N 0 3 338.426 4.138 20 30 EIEDHN CCc1ccc(CNCc2ccc(OC)c(O[C@H](C#N)CC)c2)cc1 ZINC000113348169 1053924162 /nfs/dbraw/zinc/92/41/62/1053924162.db2.gz OBMQMMCBVJDHNO-IBGZPJMESA-N 0 3 338.451 4.228 20 30 EIEDHN C[C@H](NCCCSCC#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856779517 1054108766 /nfs/dbraw/zinc/10/87/66/1054108766.db2.gz XVWHXPGLQLIVRM-VIFPVBQESA-N 0 3 337.798 4.051 20 30 EIEDHN Cc1cc(C#N)ccc1CN1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001198244119 1054110171 /nfs/dbraw/zinc/11/01/71/1054110171.db2.gz ZYKWLIKWIJLWMY-QFIPXVFZSA-N 0 3 330.431 4.307 20 30 EIEDHN Cc1cc(CN2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)ccc1C#N ZINC000858011081 1054394755 /nfs/dbraw/zinc/39/47/55/1054394755.db2.gz QAULFMWYVFEMIS-NRFANRHFSA-N 0 3 347.462 4.183 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCCSC)cc1 ZINC000124097748 1054447872 /nfs/dbraw/zinc/44/78/72/1054447872.db2.gz HBRMJWUURNZCHL-RHSMWYFYSA-N 0 3 346.496 4.381 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCCSC)cc1 ZINC000124097950 1054448118 /nfs/dbraw/zinc/44/81/18/1054448118.db2.gz HBRMJWUURNZCHL-WMLDXEAASA-N 0 3 346.496 4.381 20 30 EIEDHN CN(C)c1ccc(C2CCN(Cc3ccc(C#N)s3)CC2)cc1 ZINC000776015324 1054449142 /nfs/dbraw/zinc/44/91/42/1054449142.db2.gz UKDDAYCYIYNURR-UHFFFAOYSA-N 0 3 325.481 4.065 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CNCc2ccccc2CC(F)(F)F)cc1 ZINC000858330249 1054467036 /nfs/dbraw/zinc/46/70/36/1054467036.db2.gz MGBZBVDTXCDWEQ-CQSZACIVSA-N 0 3 348.368 4.372 20 30 EIEDHN N#CCOc1ccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000858377093 1054477265 /nfs/dbraw/zinc/47/72/65/1054477265.db2.gz VADFYGHFRRDTML-SFHVURJKSA-N 0 3 330.790 4.159 20 30 EIEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc(C(F)(F)F)nc2)cc1 ZINC000873184529 1054505212 /nfs/dbraw/zinc/50/52/12/1054505212.db2.gz CQCOYXMLLXYAJR-CQSZACIVSA-N 0 3 348.368 4.353 20 30 EIEDHN C=CCc1cc(CNCc2cccc3cccnc32)cc(OC)c1OC ZINC000105478174 1054524468 /nfs/dbraw/zinc/52/44/68/1054524468.db2.gz PETNAVYERFFHRI-UHFFFAOYSA-N 0 3 348.446 4.270 20 30 EIEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(-c3ccsc3)c2)CC1 ZINC000874908442 1054739239 /nfs/dbraw/zinc/73/92/39/1054739239.db2.gz BIWQMRHYIHDNRJ-UHFFFAOYSA-N 0 3 338.476 4.007 20 30 EIEDHN C[C@@H](C#N)OCCN(Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000860068042 1054767333 /nfs/dbraw/zinc/76/73/33/1054767333.db2.gz JGRKCYWCXSFCNT-HNNXBMFYSA-N 0 3 339.464 4.160 20 30 EIEDHN CCCCCCCCCN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001201840101 1054931918 /nfs/dbraw/zinc/93/19/18/1054931918.db2.gz UBFGIWYCVKQYTB-HXUWFJFHSA-N 0 3 347.547 4.492 20 30 EIEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cs1 ZINC000671751441 1054974275 /nfs/dbraw/zinc/97/42/75/1054974275.db2.gz YNOINJKTHNVKFM-LLVKDONJSA-N 0 3 331.347 4.291 20 30 EIEDHN CCCCCCCOc1ccc(CN2CC[C@H](n3cncn3)C2)cc1 ZINC000777223032 1055004492 /nfs/dbraw/zinc/00/44/92/1055004492.db2.gz VHBOYQUGZVTLRU-IBGZPJMESA-N 0 3 342.487 4.074 20 30 EIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(OC)nc2)cc1 ZINC000126482144 1055044314 /nfs/dbraw/zinc/04/43/14/1055044314.db2.gz WIANLGHLMDKZFF-CQSZACIVSA-N 0 3 332.831 4.072 20 30 EIEDHN Cc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1-c1ccsc1 ZINC000877455718 1055056585 /nfs/dbraw/zinc/05/65/85/1055056585.db2.gz KVRRTALLTYAFPB-QGZVFWFLSA-N 0 3 327.453 4.073 20 30 EIEDHN CCN(CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1C ZINC000877929538 1055154847 /nfs/dbraw/zinc/15/48/47/1055154847.db2.gz GVPRXMCCOUNKCD-QFIPXVFZSA-N 0 3 334.463 4.258 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(C)[C@H](C)c1ccccc1C)c1ccccc1 ZINC000877987255 1055169870 /nfs/dbraw/zinc/16/98/70/1055169870.db2.gz CJHHKEKLIHNBPN-GCJKJVERSA-N 0 3 334.463 4.429 20 30 EIEDHN CCN(CCc1cccs1)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878014282 1055174625 /nfs/dbraw/zinc/17/46/25/1055174625.db2.gz JMCXRPZRNBAVEX-FQEVSTJZSA-N 0 3 340.492 4.053 20 30 EIEDHN N#Cc1csc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000091069128 1055513802 /nfs/dbraw/zinc/51/38/02/1055513802.db2.gz CUILOTRITDZFNM-JKSUJKDBSA-N 0 3 336.819 4.032 20 30 EIEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3ccc(C)nc3)n2)cc1 ZINC000616177085 1055547481 /nfs/dbraw/zinc/54/74/81/1055547481.db2.gz JSDVEFVIHSIVBP-MRXNPFEDSA-N 0 3 348.431 4.068 20 30 EIEDHN COc1ccc([C@@H]2C[C@H](N(CCC#N)C3CCCC3)CCO2)cc1 ZINC001168653661 1056159697 /nfs/dbraw/zinc/15/96/97/1056159697.db2.gz NJGWTVGXRCHRQG-QUCCMNQESA-N 0 3 328.456 4.074 20 30 EIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000063558931 1056819458 /nfs/dbraw/zinc/81/94/58/1056819458.db2.gz LIIDIEXLCXEGHK-CYBMUJFWSA-N 0 3 334.341 4.350 20 30 EIEDHN Cc1cccc(C2(O)CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1C ZINC000741804643 1058382430 /nfs/dbraw/zinc/38/24/30/1058382430.db2.gz NUQZCVZZOHCACD-SFHVURJKSA-N 0 3 334.463 4.220 20 30 EIEDHN N#Cc1ccc(CNC[C@@H](O)c2ccc(-c3ccccc3)cc2)c(F)c1 ZINC000766470468 1060374587 /nfs/dbraw/zinc/37/45/87/1060374587.db2.gz HNRTVZNLZHUXSZ-JOCHJYFZSA-N 0 3 346.405 4.188 20 30 EIEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(C(C)(C)C)CC1 ZINC001169306617 1060765596 /nfs/dbraw/zinc/76/55/96/1060765596.db2.gz HXIFJJSPEGTEAT-BQIYRTECSA-N 0 3 347.547 4.064 20 30 EIEDHN CN(C)/C=N/c1ccc(NCCc2coc3ccccc23)cc1C#N ZINC001169598355 1060865220 /nfs/dbraw/zinc/86/52/20/1060865220.db2.gz OUKWVBCMFGFKLB-OEAKJJBVSA-N 0 3 332.407 4.180 20 30 EIEDHN Cc1ccc(Br)cc1CN[C@H](C)c1cccc(C#N)c1 ZINC000190699093 1032305797 /nfs/dbraw/zinc/30/57/97/1032305797.db2.gz LNLRYANCIPNNDT-CYBMUJFWSA-N 0 3 329.241 4.480 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000245764147 1032468540 /nfs/dbraw/zinc/46/85/40/1032468540.db2.gz QKCRALXISYWRLE-PXNSSMCTSA-N 0 3 348.446 4.215 20 30 EIEDHN COc1ccc([C@@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000245937092 1032563723 /nfs/dbraw/zinc/56/37/23/1032563723.db2.gz AHDQXSYVDIRTKL-KKSFZXQISA-N 0 3 336.435 4.323 20 30 EIEDHN CCCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC(C)C ZINC000533251071 1032564241 /nfs/dbraw/zinc/56/42/41/1032564241.db2.gz ANECTWMQKGSEKC-MRXNPFEDSA-N 0 3 347.528 4.245 20 30 EIEDHN N#Cc1ccc(CNCCc2nc3cc(Cl)ccc3s2)c(F)c1 ZINC000533446970 1032780510 /nfs/dbraw/zinc/78/05/10/1032780510.db2.gz SQIIEFYTAPKPIY-UHFFFAOYSA-N 0 3 345.830 4.293 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CNCc2cccc3cc[nH]c32)ccc1OC ZINC000236895180 1032875208 /nfs/dbraw/zinc/87/52/08/1032875208.db2.gz WRJLGKAPQCBHPK-GOSISDBHSA-N 0 3 349.434 4.147 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000237704275 1032879007 /nfs/dbraw/zinc/87/90/07/1032879007.db2.gz OZWKWOQBFNHQNY-KBPBESRZSA-N 0 3 346.377 4.430 20 30 EIEDHN C[C@H](NCc1cc(C#N)cs1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000748099560 1020344101 /nfs/dbraw/zinc/34/41/01/1020344101.db2.gz ZAVGQMMMDOYYHK-BJOHPYRUSA-N 0 3 341.263 4.138 20 30 EIEDHN COc1ccc(C)cc1[C@@H](C)NCc1ccc(N(C)CCC#N)cc1 ZINC000024082765 1020483013 /nfs/dbraw/zinc/48/30/13/1020483013.db2.gz CGNFTADCKPPQTD-QGZVFWFLSA-N 0 3 337.467 4.204 20 30 EIEDHN C#CCN(CCOc1ccc(Cl)c(F)c1)[C@@H]1CCc2ccccc21 ZINC001167179449 1020489067 /nfs/dbraw/zinc/48/90/67/1020489067.db2.gz ZYNYFPYXBSCXAP-HXUWFJFHSA-N 0 3 343.829 4.481 20 30 EIEDHN Cc1cc2ncc([C@@H](C)N[C@@H](CCCC#N)c3ccccc3)c(C)n2n1 ZINC000340444776 1021039783 /nfs/dbraw/zinc/03/97/83/1021039783.db2.gz JKSPBOMTOKUSLO-UZLBHIALSA-N 0 3 347.466 4.432 20 30 EIEDHN CC(C)[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1 ZINC000560243163 1021047279 /nfs/dbraw/zinc/04/72/79/1021047279.db2.gz BDVYGHAQDIERMM-IBGZPJMESA-N 0 3 338.842 4.346 20 30 EIEDHN N#CC(C(=O)C=Cc1ccc2ccc(Cl)cc2n1)c1ccccn1 ZINC000255872142 1021387576 /nfs/dbraw/zinc/38/75/76/1021387576.db2.gz INJKUUUDUCNAOQ-QWGSZXSUSA-N 0 3 333.778 4.173 20 30 EIEDHN FC(F)(F)c1ccc(C#CCNCc2ccc3cnccc3c2)cc1 ZINC000683772430 1021456845 /nfs/dbraw/zinc/45/68/45/1021456845.db2.gz RSHBCVXOKWZPQZ-UHFFFAOYSA-N 0 3 340.348 4.395 20 30 EIEDHN N#Cc1csc(CN[C@H]2CCc3c2cccc3Br)c1 ZINC000177697208 1021543325 /nfs/dbraw/zinc/54/33/25/1021543325.db2.gz AQYZYIZAXADDSC-HNNXBMFYSA-N 0 3 333.254 4.159 20 30 EIEDHN CC[C@]1(CN[C@@H](C)c2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000580060142 1021586338 /nfs/dbraw/zinc/58/63/38/1021586338.db2.gz RPFKUVDQAHJGEE-YCRPNKLZSA-N 0 3 338.426 4.226 20 30 EIEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC001167387903 1021935367 /nfs/dbraw/zinc/93/53/67/1021935367.db2.gz YLXRUCHGVPTOQS-INIZCTEOSA-N 0 3 348.918 4.413 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414152670 1021983770 /nfs/dbraw/zinc/98/37/70/1021983770.db2.gz QPGFKKBGMWZJAR-KYJSFNMBSA-N 0 3 328.481 4.442 20 30 EIEDHN Cc1nccn1-c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1F ZINC000181574035 1022392984 /nfs/dbraw/zinc/39/29/84/1022392984.db2.gz CEQQDVVEATWORO-AWEZNQCLSA-N 0 3 334.398 4.042 20 30 EIEDHN N#Cc1ccccc1-c1ccc(CNCc2cnc3ccccn23)cc1 ZINC000180334935 1022565460 /nfs/dbraw/zinc/56/54/60/1022565460.db2.gz NHGRGGSBGYYECB-UHFFFAOYSA-N 0 3 338.414 4.163 20 30 EIEDHN CCCCNC(=O)c1ccc(CN[C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000278803962 1022610430 /nfs/dbraw/zinc/61/04/30/1022610430.db2.gz RKBYUYRBORNBTF-OAQYLSRUSA-N 0 3 349.478 4.329 20 30 EIEDHN Cn1c2ccccc2nc1[C@H]1CCCCN1CCc1ccc(C#N)cc1 ZINC001167733892 1022615048 /nfs/dbraw/zinc/61/50/48/1022615048.db2.gz FIEVYPYCWIHESQ-OAQYLSRUSA-N 0 3 344.462 4.215 20 30 EIEDHN CCN(CC)[C@H](CNc1ncc(C#N)cc1Cl)c1ccsc1 ZINC000339136813 1022664642 /nfs/dbraw/zinc/66/46/42/1022664642.db2.gz NGBJDTFXQNBNGF-OAHLLOKOSA-N 0 3 334.876 4.163 20 30 EIEDHN N#Cc1ccc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)s1 ZINC000180620740 1022752559 /nfs/dbraw/zinc/75/25/59/1022752559.db2.gz SRXYCCRLAWDOIW-YOEHRIQHSA-N 0 3 330.453 4.081 20 30 EIEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-c2cncnc2)cc1 ZINC000378449566 1022826205 /nfs/dbraw/zinc/82/62/05/1022826205.db2.gz GEVRDJLXGGICCM-HOTGVXAUSA-N 0 3 328.419 4.427 20 30 EIEDHN CN(C)Cc1ccc(-c2noc([C@@H](C#N)CCc3ccccc3)n2)cc1 ZINC000417272549 1023232163 /nfs/dbraw/zinc/23/21/63/1023232163.db2.gz URPCRJQJUVJUGF-LJQANCHMSA-N 0 3 346.434 4.038 20 30 EIEDHN COC(=O)c1csc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417361157 1023285764 /nfs/dbraw/zinc/28/57/64/1023285764.db2.gz IPJLQOQETUFAHV-SJKOYZFVSA-N 0 3 340.448 4.135 20 30 EIEDHN CSc1ccc(CN[C@H](C)c2ccc(C(C)(C)O)cc2)cc1C#N ZINC000926869959 1023540447 /nfs/dbraw/zinc/54/04/47/1023540447.db2.gz ZOBDWXRRODDRII-CQSZACIVSA-N 0 3 340.492 4.358 20 30 EIEDHN COc1cc(C)c(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000418145793 1023563330 /nfs/dbraw/zinc/56/33/30/1023563330.db2.gz OAANRVDGBIEXKG-LJQANCHMSA-N 0 3 336.435 4.051 20 30 EIEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000176018429 1023585976 /nfs/dbraw/zinc/58/59/76/1023585976.db2.gz BIGZZSDTIPTSQO-KRWDZBQOSA-N 0 3 340.448 4.035 20 30 EIEDHN N#Cc1ccc(CN(C[C@H](O)c2ccc(Cl)c(F)c2)C2CC2)cc1 ZINC000759846410 1023708273 /nfs/dbraw/zinc/70/82/73/1023708273.db2.gz XLZNIJNRHUEBGO-IBGZPJMESA-N 0 3 344.817 4.049 20 30 EIEDHN C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(C#N)c1 ZINC000178177968 1023780671 /nfs/dbraw/zinc/78/06/71/1023780671.db2.gz WGBXYXVSHRPQFY-HZPDHXFCSA-N 0 3 333.435 4.097 20 30 EIEDHN COc1ccc2[nH]cc(C3=CCN(Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000047257333 1023877964 /nfs/dbraw/zinc/87/79/64/1023877964.db2.gz MIJTUOBJWONQLB-UHFFFAOYSA-N 0 3 343.430 4.337 20 30 EIEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511799193 1023890816 /nfs/dbraw/zinc/89/08/16/1023890816.db2.gz FSFDEABOGLUBQT-KBRIMQKVSA-N 0 3 335.373 4.375 20 30 EIEDHN N#CCC1(CN[C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000430744068 1024000395 /nfs/dbraw/zinc/00/03/95/1024000395.db2.gz TZVIMPMLWYCRDK-AWEZNQCLSA-N 0 3 339.664 4.373 20 30 EIEDHN CCCCOc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000236713947 1024184446 /nfs/dbraw/zinc/18/44/46/1024184446.db2.gz SFGKCSHTYFXNKG-KRWDZBQOSA-N 0 3 338.451 4.446 20 30 EIEDHN N#CC[C@H]1CCCN(CCCC(=O)c2ccc(Br)cc2)C1 ZINC000661153038 1024275657 /nfs/dbraw/zinc/27/56/57/1024275657.db2.gz HJEMRWFBXZENNJ-CQSZACIVSA-N 0 3 349.272 4.038 20 30 EIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000341762374 1024628823 /nfs/dbraw/zinc/62/88/23/1024628823.db2.gz URVZTDNVYJNFIX-KUHUBIRLSA-N 0 3 334.419 4.058 20 30 EIEDHN COc1cc2c(cc1F)CC[C@H]2N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000510978303 1024874257 /nfs/dbraw/zinc/87/42/57/1024874257.db2.gz LHCDDABYEQUUSW-BBATYDOGSA-N 0 3 328.362 4.183 20 30 EIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc([S@@](C)=O)cc1 ZINC000341889361 1024900211 /nfs/dbraw/zinc/90/02/11/1024900211.db2.gz RGDKTNLTCXSNPM-OSZRXVRWSA-N 0 3 338.476 4.024 20 30 EIEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000610829642 1025052127 /nfs/dbraw/zinc/05/21/27/1025052127.db2.gz CGOHYWQGKUHGFP-KBPBESRZSA-N 0 3 333.435 4.200 20 30 EIEDHN CN(Cc1csc(C#N)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000893567053 1025061383 /nfs/dbraw/zinc/06/13/83/1025061383.db2.gz JJGDVPSGLBLUMX-WMZOPIPTSA-N 0 3 330.428 4.111 20 30 EIEDHN CC1(N(Cc2ccc3c(c2)OCO3)Cc2ccnc(C#N)c2)CCCC1 ZINC000610993275 1025241952 /nfs/dbraw/zinc/24/19/52/1025241952.db2.gz JMFSTIONEKONNL-UHFFFAOYSA-N 0 3 349.434 4.017 20 30 EIEDHN N#Cc1cccc(CN[C@@H]2CCc3c2cccc3Br)c1 ZINC000105491852 1025382874 /nfs/dbraw/zinc/38/28/74/1025382874.db2.gz XWOIVGDGGFXLOO-QGZVFWFLSA-N 0 3 327.225 4.098 20 30 EIEDHN C=CCCn1cc(CNCCC(c2ccccc2)c2ccccc2)nn1 ZINC000657285295 1025608202 /nfs/dbraw/zinc/60/82/02/1025608202.db2.gz BKOUCJFNLNVWHH-UHFFFAOYSA-N 0 3 346.478 4.166 20 30 EIEDHN COc1cccc([C@H](C)CC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000084692898 1025826939 /nfs/dbraw/zinc/82/69/39/1025826939.db2.gz LDGQUNZGSIBRLC-CJNGLKHVSA-N 0 3 334.375 4.206 20 30 EIEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(Cl)s1 ZINC000551547443 1026210460 /nfs/dbraw/zinc/21/04/60/1026210460.db2.gz MLAGTOQBAWXQOJ-CYBMUJFWSA-N 0 3 330.844 4.162 20 30 EIEDHN Cc1cc([C@H](C)NCc2cn(C)nc2-c2ccc(C#N)cc2)ccc1F ZINC000478379480 1026550005 /nfs/dbraw/zinc/55/00/05/1026550005.db2.gz AERAWSFARLLIEB-HNNXBMFYSA-N 0 3 348.425 4.257 20 30 EIEDHN C=CCC1(NCc2nnc(-c3ccc(OC)cc3)o2)CCCCC1 ZINC000625937269 1026588547 /nfs/dbraw/zinc/58/85/47/1026588547.db2.gz RPDVGRNNHMEVOX-UHFFFAOYSA-N 0 3 327.428 4.114 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc3cnn(C)c3c2)cc1Cl ZINC000582460424 1026673760 /nfs/dbraw/zinc/67/37/60/1026673760.db2.gz URXUGEGXHSVQGW-UHFFFAOYSA-N 0 3 341.842 4.081 20 30 EIEDHN N#CCc1ccc(CN2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000342714783 1026878838 /nfs/dbraw/zinc/87/88/38/1026878838.db2.gz UADKBJBDIWAIRT-UHFFFAOYSA-N 0 3 342.389 4.074 20 30 EIEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1cnn(CC2CCC2)c1 ZINC000934562843 1026879816 /nfs/dbraw/zinc/87/98/16/1026879816.db2.gz SPFFKJTZNIYSSY-MRXNPFEDSA-N 0 3 336.483 4.335 20 30 EIEDHN C=CCCC[C@@H](C)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664937010 1026925517 /nfs/dbraw/zinc/92/55/17/1026925517.db2.gz XVIGODWHUMVOKO-CQSZACIVSA-N 0 3 329.419 4.194 20 30 EIEDHN COc1cc(C)cc(CNCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000519854031 1027018645 /nfs/dbraw/zinc/01/86/45/1027018645.db2.gz CDODYHCEETYGQB-UHFFFAOYSA-N 0 3 334.341 4.184 20 30 EIEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000520174369 1027293958 /nfs/dbraw/zinc/29/39/58/1027293958.db2.gz GHCYOHHLTSDTCH-LJQANCHMSA-N 0 3 341.499 4.144 20 30 EIEDHN N#CC1(c2ccc(CN3CC[C@]4(CC(F)(F)C4(F)F)C3)cc2)CC1 ZINC000896225204 1027342310 /nfs/dbraw/zinc/34/23/10/1027342310.db2.gz VEYWIWSLMITTPR-INIZCTEOSA-N 0 3 338.348 4.108 20 30 EIEDHN COc1ccc2cc(CNCc3ccc(O[C@H](C)C#N)cc3)ccc2c1 ZINC000237284900 1027433952 /nfs/dbraw/zinc/43/39/52/1027433952.db2.gz YCNYFNBSJNJSOW-MRXNPFEDSA-N 0 3 346.430 4.429 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OCCc2ccccc2)CC1 ZINC000186597930 1027608571 /nfs/dbraw/zinc/60/85/71/1027608571.db2.gz IDEBOKPCUWHBHH-SFHVURJKSA-N 0 3 334.463 4.343 20 30 EIEDHN Cc1ccnc(-c2cccc(NC(=O)[C@H](C)N3CCCCCC3)c2)n1 ZINC000329331805 1027731863 /nfs/dbraw/zinc/73/18/63/1027731863.db2.gz ZSUQDFVOTDOAPN-INIZCTEOSA-N 0 3 338.455 4.305 20 30 EIEDHN CSc1ccccc1NC(=O)[C@H](C)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328691824 1027795907 /nfs/dbraw/zinc/79/59/07/1027795907.db2.gz IYLWODPHPRKYES-SWLSCSKDSA-N 0 3 347.484 4.016 20 30 EIEDHN COc1ccc(OC)c(CN(CCCCC(C)(C)C#N)C2CC2)c1 ZINC000444584020 1027883270 /nfs/dbraw/zinc/88/32/70/1027883270.db2.gz RFVGELGULAVCDY-UHFFFAOYSA-N 0 3 330.472 4.388 20 30 EIEDHN CC(C)(C#N)CCCCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000444663035 1027931629 /nfs/dbraw/zinc/93/16/29/1027931629.db2.gz KLVSOVJRMPMTQI-UHFFFAOYSA-N 0 3 336.483 4.077 20 30 EIEDHN C[C@H](c1cccc(F)c1)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444663581 1027949065 /nfs/dbraw/zinc/94/90/65/1027949065.db2.gz YWFIABAQODHWGI-QGZVFWFLSA-N 0 3 331.479 4.224 20 30 EIEDHN COc1ccc([C@H](NCc2ccc(CC#N)cc2)C(C)C)c(F)c1 ZINC000583143628 1028074872 /nfs/dbraw/zinc/07/48/72/1028074872.db2.gz BYGHFOGDYJPRBJ-HXUWFJFHSA-N 0 3 326.415 4.387 20 30 EIEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000281378348 1028552724 /nfs/dbraw/zinc/55/27/24/1028552724.db2.gz YHTSSLVFNSOAMB-UHFFFAOYSA-N 0 3 335.451 4.110 20 30 EIEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000583503379 1028819665 /nfs/dbraw/zinc/81/96/65/1028819665.db2.gz ZNJWIKMMJJRWFU-HXUWFJFHSA-N 0 3 335.407 4.488 20 30 EIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1CCCCC1 ZINC000052485651 1028985541 /nfs/dbraw/zinc/98/55/41/1028985541.db2.gz ORDNWHPKZDULLR-UHFFFAOYSA-N 0 3 348.560 4.165 20 30 EIEDHN N#Cc1cccc(OC2CCN(CCOC3CCCCCC3)CC2)c1 ZINC000524906931 1029323748 /nfs/dbraw/zinc/32/37/48/1029323748.db2.gz ARRBBTGJXLLVEC-UHFFFAOYSA-N 0 3 342.483 4.141 20 30 EIEDHN Cc1cc(Cl)ccc1CN1CCN(CC(C)(C)CCC#N)CC1 ZINC000583961899 1029423749 /nfs/dbraw/zinc/42/37/49/1029423749.db2.gz WHRRAUWFZSRDMS-UHFFFAOYSA-N 0 3 333.907 4.096 20 30 EIEDHN CCc1nc2c(s1)[C@H](N(C)Cc1ccc(C#N)cc1C)CCC2 ZINC000186306693 1029512702 /nfs/dbraw/zinc/51/27/02/1029512702.db2.gz YXCAFLATBJVJSO-QGZVFWFLSA-N 0 3 325.481 4.395 20 30 EIEDHN C=CC[C@@H]1N(Cc2nc3c(s2)CN(C(C)C)CC3)CCCC1(C)C ZINC000446828504 1029593572 /nfs/dbraw/zinc/59/35/72/1029593572.db2.gz VJKATQHHAMVIFN-SFHVURJKSA-N 0 3 347.572 4.476 20 30 EIEDHN N#Cc1ccc2ncc(CN[C@H](c3cccc(F)c3)C3CCCC3)n2c1 ZINC000584128786 1029639072 /nfs/dbraw/zinc/63/90/72/1029639072.db2.gz XLBYQDPFSVDSBA-NRFANRHFSA-N 0 3 348.425 4.366 20 30 EIEDHN CC(C)Cc1ccc(C(=O)C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000278685942 1029689028 /nfs/dbraw/zinc/68/90/28/1029689028.db2.gz RZMXMHYLXRBNJO-GHTZIAJQSA-N 0 3 338.495 4.472 20 30 EIEDHN C=C(CNCc1cc(OC)c(OC)cc1SC)c1ccccc1 ZINC000343754261 1029750625 /nfs/dbraw/zinc/75/06/25/1029750625.db2.gz CHEPFVFIZTYCST-UHFFFAOYSA-N 0 3 329.465 4.229 20 30 EIEDHN N#CCCCOc1cccc(CN2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186448012 1030274043 /nfs/dbraw/zinc/27/40/43/1030274043.db2.gz AODHHFFSVHKSKL-QFIPXVFZSA-N 0 3 348.446 4.001 20 30 EIEDHN C=CCOc1ccc(CN(Cc2cnn(C=C)c2)C(C)(C)C)cc1 ZINC000447747214 1030317535 /nfs/dbraw/zinc/31/75/35/1030317535.db2.gz SSWUTFJXZZLUPZ-UHFFFAOYSA-N 0 3 325.456 4.349 20 30 EIEDHN N#Cc1csc(CNCCOc2cccc(Cl)c2Cl)c1 ZINC000530640661 1030616464 /nfs/dbraw/zinc/61/64/64/1030616464.db2.gz OFHFZVILKSATFM-UHFFFAOYSA-N 0 3 327.236 4.095 20 30 EIEDHN CCOc1ccccc1[C@@H](CC(C)C)NCc1cc(C#N)n(C)c1 ZINC000191264910 1030842665 /nfs/dbraw/zinc/84/26/65/1030842665.db2.gz MEGGOUMAAVEFNS-LJQANCHMSA-N 0 3 325.456 4.172 20 30 EIEDHN CCOc1ccccc1[C@H](CC(C)C)NCc1cc(C#N)n(C)c1 ZINC000191264928 1030842769 /nfs/dbraw/zinc/84/27/69/1030842769.db2.gz MEGGOUMAAVEFNS-IBGZPJMESA-N 0 3 325.456 4.172 20 30 EIEDHN N#CC(C(=O)c1ccc(OC2CCC2)cc1)c1nc(C2CC2)cs1 ZINC000647378318 1030896592 /nfs/dbraw/zinc/89/65/92/1030896592.db2.gz NRDKRYRLDSAEDZ-INIZCTEOSA-N 0 3 338.432 4.442 20 30 EIEDHN N#CC(C(=O)C[C@H]1CCC2(CCC2)CO1)c1ccc2ccccc2n1 ZINC000892428375 1030900079 /nfs/dbraw/zinc/90/00/79/1030900079.db2.gz YOYHGXHEMCJRMG-IAGOWNOFSA-N 0 3 334.419 4.150 20 30 EIEDHN Cc1cc(Br)cc(C)c1CNCc1cc(C#N)cs1 ZINC000531356089 1031110886 /nfs/dbraw/zinc/11/08/86/1031110886.db2.gz HRMCHFRCMDAUMZ-UHFFFAOYSA-N 0 3 335.270 4.289 20 30 EIEDHN CC(C)CN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000170984234 1031152326 /nfs/dbraw/zinc/15/23/26/1031152326.db2.gz TWBRKKAOPVSYDO-INIZCTEOSA-N 0 3 347.528 4.386 20 30 EIEDHN N#CC(C(=O)Nc1cccc(F)c1)c1nc2cc(Cl)ccc2s1 ZINC000161403973 1031245056 /nfs/dbraw/zinc/24/50/56/1031245056.db2.gz VOVIIBZDLJQRLA-GFCCVEGCSA-N 0 3 345.786 4.335 20 30 EIEDHN N#CC(C(=O)Nc1ccc(F)cc1)c1nc2cc(Cl)ccc2s1 ZINC000161405891 1031249089 /nfs/dbraw/zinc/24/90/89/1031249089.db2.gz MJNKIXUTOQDDHM-GFCCVEGCSA-N 0 3 345.786 4.335 20 30 EIEDHN N#CCCCOc1cccc(CNCc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000369287746 1031326288 /nfs/dbraw/zinc/32/62/88/1031326288.db2.gz KHKJNZVZQXTHFH-UHFFFAOYSA-N 0 3 346.434 4.049 20 30 EIEDHN C=CCC1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCCC1 ZINC000449072891 1031425452 /nfs/dbraw/zinc/42/54/52/1031425452.db2.gz QOKPWUCSBZEPFX-MRXNPFEDSA-N 0 3 332.513 4.138 20 30 EIEDHN COc1cccc(CC2CCN(Cc3cc(C#N)cs3)CC2)c1 ZINC000612400878 1031482297 /nfs/dbraw/zinc/48/22/97/1031482297.db2.gz CVSWQLMKGXNYHG-UHFFFAOYSA-N 0 3 326.465 4.083 20 30 EIEDHN C(=NOCc1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1 ZINC000255867933 1031564752 /nfs/dbraw/zinc/56/47/52/1031564752.db2.gz FFTGZSIGEGKUJI-UHFFFAOYSA-N 0 3 346.430 4.227 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000508664955 1031812440 /nfs/dbraw/zinc/81/24/40/1031812440.db2.gz KQWMJAYVDQMUEE-VQIMIIECSA-N 0 3 341.499 4.061 20 30 EIEDHN Cc1csc(C(C#N)C(=O)c2c(Cl)c3ccccc3n2C)n1 ZINC000048789220 1031855350 /nfs/dbraw/zinc/85/53/50/1031855350.db2.gz XTYOBUQBNZESFC-LLVKDONJSA-N 0 3 329.812 4.087 20 30 EIEDHN COc1ccc([C@H](NCc2ccccc2C(C)(C)C#N)C2CC2)cn1 ZINC000528851763 1031891702 /nfs/dbraw/zinc/89/17/02/1031891702.db2.gz YBMZGRDGZCXFJP-HXUWFJFHSA-N 0 3 335.451 4.132 20 30 EIEDHN CN1CCC[C@@H](NCc2cccc(OCCCC#N)c2)c2ccccc21 ZINC000449655391 1031909200 /nfs/dbraw/zinc/90/92/00/1031909200.db2.gz YXNODVFNJJMXRK-OAQYLSRUSA-N 0 3 349.478 4.430 20 30 EIEDHN N#Cc1csc(CN[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000449790087 1032017212 /nfs/dbraw/zinc/01/72/12/1032017212.db2.gz JOWNDIDSHWXBDV-ZFWWWQNUSA-N 0 3 331.872 4.484 20 30 EIEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)s1 ZINC000453611446 1032046272 /nfs/dbraw/zinc/04/62/72/1032046272.db2.gz INLZGHRZUMTLDN-SFHVURJKSA-N 0 3 326.465 4.003 20 30 EIEDHN C=CCN(CCC(=O)Nc1cc(F)cc(F)c1)Cc1cccs1 ZINC000432952388 1033486535 /nfs/dbraw/zinc/48/65/35/1033486535.db2.gz WWMKOZBBNFLREZ-UHFFFAOYSA-N 0 3 336.407 4.043 20 30 EIEDHN COc1ccc(CC2CCN(Cc3cc(C#N)cs3)CC2)cc1 ZINC000512614700 1033500428 /nfs/dbraw/zinc/50/04/28/1033500428.db2.gz RWDSGLJODBGEPM-UHFFFAOYSA-N 0 3 326.465 4.083 20 30 EIEDHN C[C@@H](COc1ccc(F)cc1F)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512616846 1033519443 /nfs/dbraw/zinc/51/94/43/1033519443.db2.gz CZMITGYABRHJPH-RYUDHWBXSA-N 0 3 334.341 4.094 20 30 EIEDHN C[C@H](NC[C@@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)cc1F ZINC000512642652 1033598426 /nfs/dbraw/zinc/59/84/26/1033598426.db2.gz RHHPJUJRBAXNGX-DJJJIMSYSA-N 0 3 345.849 4.304 20 30 EIEDHN CC(C)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)Nc1ccccc1 ZINC000512655282 1033628545 /nfs/dbraw/zinc/62/85/45/1033628545.db2.gz SSOMUWQJYUYFHR-MGPUTAFESA-N 0 3 325.431 4.485 20 30 EIEDHN N#CCCC[C@H](NCC(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000433011545 1033636174 /nfs/dbraw/zinc/63/61/74/1033636174.db2.gz GLFJOPCQBQPOIZ-FQEVSTJZSA-N 0 3 339.483 4.018 20 30 EIEDHN CC[C@H](CN[C@H](C)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000512666763 1033664710 /nfs/dbraw/zinc/66/47/10/1033664710.db2.gz MBZCKAJBLFIYFC-CZUORRHYSA-N 0 3 330.378 4.345 20 30 EIEDHN CCN(Cc1ccccc1)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433019971 1033669961 /nfs/dbraw/zinc/66/99/61/1033669961.db2.gz LXKQVTZNQDEGKZ-NRFANRHFSA-N 0 3 349.478 4.060 20 30 EIEDHN C[C@@H](N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C#N)cc1F ZINC000512668814 1033670388 /nfs/dbraw/zinc/67/03/88/1033670388.db2.gz WSNQPROODFORMS-PBHICJAKSA-N 0 3 341.405 4.156 20 30 EIEDHN N#CCCC[C@H](NCc1cncn1Cc1ccccc1)c1ccccc1 ZINC000433021765 1033676486 /nfs/dbraw/zinc/67/64/86/1033676486.db2.gz YILXENJMMAMDNY-QFIPXVFZSA-N 0 3 344.462 4.456 20 30 EIEDHN CCN(CC)[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512673189 1033680808 /nfs/dbraw/zinc/68/08/08/1033680808.db2.gz PGLQWQDYZSGXQR-KDOFPFPSSA-N 0 3 329.419 4.024 20 30 EIEDHN C=C(C)CCN[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000419235214 1033818413 /nfs/dbraw/zinc/81/84/13/1033818413.db2.gz IZQLPHLXORFISS-HXUWFJFHSA-N 0 3 338.451 4.321 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2cccc3cc[nH]c32)ccc1OC ZINC000237020378 1033995883 /nfs/dbraw/zinc/99/58/83/1033995883.db2.gz WRJLGKAPQCBHPK-SFHVURJKSA-N 0 3 349.434 4.147 20 30 EIEDHN COCCC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000453362539 1034017103 /nfs/dbraw/zinc/01/71/03/1034017103.db2.gz BFUJDTKQCOPSRK-LJQANCHMSA-N 0 3 330.378 4.094 20 30 EIEDHN Fc1cc(F)c(CN[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1F ZINC000430024865 1034096789 /nfs/dbraw/zinc/09/67/89/1034096789.db2.gz JKGROYGDICEYQT-YUMQZZPRSA-N 0 3 329.259 4.454 20 30 EIEDHN C=CCc1cc(CNCc2cccc(C)c2C)cc(OC)c1OC ZINC000237109841 1034816586 /nfs/dbraw/zinc/81/65/86/1034816586.db2.gz VLYLNSOWUWNYRS-UHFFFAOYSA-N 0 3 325.452 4.339 20 30 EIEDHN CC(C)[C@@H](O)[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594988708 1035519843 /nfs/dbraw/zinc/51/98/43/1035519843.db2.gz BVZORDGWFHMMDN-LEWJYISDSA-N 0 3 336.479 4.336 20 30 EIEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000575027124 1035657281 /nfs/dbraw/zinc/65/72/81/1035657281.db2.gz QNASELCOEGUOHI-KGLIPLIRSA-N 0 3 349.459 4.451 20 30 EIEDHN N#Cc1ccc(-c2nnc(CN[C@@H]3CCCC34CCCCC4)o2)cc1 ZINC000595606281 1035744618 /nfs/dbraw/zinc/74/46/18/1035744618.db2.gz WULZVHJGXDHQEV-QGZVFWFLSA-N 0 3 336.439 4.201 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN3CC[C@@H](C4CCCCC4)C3)o2)c1 ZINC000595738926 1035777529 /nfs/dbraw/zinc/77/75/29/1035777529.db2.gz OLBDPIOGIQYRKP-GOSISDBHSA-N 0 3 336.439 4.010 20 30 EIEDHN C[C@H](CNc1cccc(Cl)c1C#N)N1CCc2ccccc2C1 ZINC000502106567 1035851423 /nfs/dbraw/zinc/85/14/23/1035851423.db2.gz COVAZLPYMSBNHU-CQSZACIVSA-N 0 3 325.843 4.070 20 30 EIEDHN CC(C)(CO)[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1cccs1 ZINC000597149491 1036130509 /nfs/dbraw/zinc/13/05/09/1036130509.db2.gz LHPUPDAPSSDXAJ-SFHVURJKSA-N 0 3 340.492 4.153 20 30 EIEDHN N#CC[C@@H]1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597174294 1036143182 /nfs/dbraw/zinc/14/31/82/1036143182.db2.gz ORHPKDWLRXTEKI-SFHVURJKSA-N 0 3 345.446 4.263 20 30 EIEDHN CC1(C#N)CCC(N[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000597229407 1036162046 /nfs/dbraw/zinc/16/20/46/1036162046.db2.gz SYMILRBCQRNKSM-OFWKBQFLSA-N 0 3 327.255 4.089 20 30 EIEDHN N#CCC1(CNCc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000421405984 1036375272 /nfs/dbraw/zinc/37/52/72/1036375272.db2.gz ZJGZTRPAGJQSLV-UHFFFAOYSA-N 0 3 334.467 4.449 20 30 EIEDHN Cc1ccc(CN2CCSCC2)cc1NC1CCC(C#N)CC1 ZINC000602492970 1036467044 /nfs/dbraw/zinc/46/70/44/1036467044.db2.gz ZZDAXLYGWHDRND-UHFFFAOYSA-N 0 3 329.513 4.038 20 30 EIEDHN CC[C@H](C)Oc1cc(C)ccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602565891 1036499678 /nfs/dbraw/zinc/49/96/78/1036499678.db2.gz BDRRPXWWJGDKKD-MSOLQXFVSA-N 0 3 344.499 4.361 20 30 EIEDHN C=CC[C@H](Cc1ccccc1)NCc1ncc(Br)s1 ZINC000414537554 1036586195 /nfs/dbraw/zinc/58/61/95/1036586195.db2.gz PIEYFLXKRFTQJG-CYBMUJFWSA-N 0 3 337.286 4.183 20 30 EIEDHN Cc1nc(C(C)C)ccc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908881 1036661241 /nfs/dbraw/zinc/66/12/41/1036661241.db2.gz WALWNXHXRBTPQO-UHFFFAOYSA-N 0 3 334.467 4.160 20 30 EIEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cc(F)c(Cl)cc1Cl ZINC000598601546 1036703557 /nfs/dbraw/zinc/70/35/57/1036703557.db2.gz TWHQHONUEDPFMV-NXEZZACHSA-N 0 3 333.234 4.084 20 30 EIEDHN CC(C)(C#N)C[C@H](O)CN(Cc1cccs1)Cc1cccs1 ZINC000598585057 1036704655 /nfs/dbraw/zinc/70/46/55/1036704655.db2.gz PTWYNLKUQIGBCQ-AWEZNQCLSA-N 0 3 334.510 4.113 20 30 EIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(OCC(F)(F)F)cc1)CC2 ZINC000589337192 1036738415 /nfs/dbraw/zinc/73/84/15/1036738415.db2.gz UCUPQFZYDMUJEA-SFHVURJKSA-N 0 3 346.352 4.276 20 30 EIEDHN CC[C@H](CC(F)F)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000659935690 1036752199 /nfs/dbraw/zinc/75/21/99/1036752199.db2.gz LAYOBCDSCRYMEZ-MRVPVSSYSA-N 0 3 327.259 4.485 20 30 EIEDHN C=CCc1cc(CNC2(c3ccc(F)cc3)CCC2)cc(OC)c1O ZINC000603512710 1036871761 /nfs/dbraw/zinc/87/17/61/1036871761.db2.gz HYHGPZIBKJZZNM-UHFFFAOYSA-N 0 3 341.426 4.437 20 30 EIEDHN COCCSc1ccc([C@H](C)NCc2ccc(C)c(C#N)c2)cc1 ZINC000599363455 1036977259 /nfs/dbraw/zinc/97/72/59/1036977259.db2.gz WDNJURBRCVOZOW-INIZCTEOSA-N 0 3 340.492 4.456 20 30 EIEDHN COCCSc1ccc([C@@H](C)NCc2ccc(C)c(C#N)c2)cc1 ZINC000599363456 1036979397 /nfs/dbraw/zinc/97/93/97/1036979397.db2.gz WDNJURBRCVOZOW-MRXNPFEDSA-N 0 3 340.492 4.456 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000590749553 1037154146 /nfs/dbraw/zinc/15/41/46/1037154146.db2.gz CCDSGLOHJARGCI-SFHVURJKSA-N 0 3 348.368 4.099 20 30 EIEDHN N#Cc1ccc(CNCc2cc3cc(Br)ccc3[nH]2)cc1 ZINC000183818571 1037315972 /nfs/dbraw/zinc/31/59/72/1037315972.db2.gz QMOYNUXGBWXMFG-UHFFFAOYSA-N 0 3 340.224 4.092 20 30 EIEDHN Cc1ccc2c(CC(=O)C(C#N)c3nc4ccccc4o3)c[nH]c2c1 ZINC000171330233 1037341300 /nfs/dbraw/zinc/34/13/00/1037341300.db2.gz ORLSJLDQYHPSMR-OAHLLOKOSA-N 0 3 329.359 4.037 20 30 EIEDHN CC1(C#N)CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000273231946 1037384936 /nfs/dbraw/zinc/38/49/36/1037384936.db2.gz XCPSNLYMQULCBJ-UHFFFAOYSA-N 0 3 336.435 4.097 20 30 EIEDHN CC1(C#N)CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000273231946 1037384955 /nfs/dbraw/zinc/38/49/55/1037384955.db2.gz XCPSNLYMQULCBJ-UHFFFAOYSA-N 0 3 336.435 4.097 20 30 EIEDHN COc1cc2c(cc1OC)[C@@H](N[C@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000591348925 1037390990 /nfs/dbraw/zinc/39/09/90/1037390990.db2.gz DUHIZIRUOKUAGV-PMACEKPBSA-N 0 3 348.446 4.230 20 30 EIEDHN C#CCCN1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000760832742 1037458175 /nfs/dbraw/zinc/45/81/75/1037458175.db2.gz FWUNTKUSQHKICH-UHFFFAOYSA-N 0 3 333.435 4.020 20 30 EIEDHN COc1ccc2ccccc2c1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000171562910 1037486525 /nfs/dbraw/zinc/48/65/25/1037486525.db2.gz URSPDGPXILCYIV-INIZCTEOSA-N 0 3 346.430 4.429 20 30 EIEDHN C[C@@H](NCc1ccncc1C#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000592101188 1037730460 /nfs/dbraw/zinc/73/04/60/1037730460.db2.gz XDUIXORXFVBMDH-CHWSQXEVSA-N 0 3 333.357 4.254 20 30 EIEDHN N#Cc1cnccc1CN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000592122389 1037736407 /nfs/dbraw/zinc/73/64/07/1037736407.db2.gz LGSBXBCTVGVNCT-ZWKOTPCHSA-N 0 3 345.368 4.398 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000592329069 1037771783 /nfs/dbraw/zinc/77/17/83/1037771783.db2.gz RCWJUGFWLJKJCN-UHFFFAOYSA-N 0 3 335.879 4.119 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@H](c2cccs2)C(CC)CC)CC1 ZINC000592502125 1037822705 /nfs/dbraw/zinc/82/27/05/1037822705.db2.gz HACHBNBSAQUKQE-SFHVURJKSA-N 0 3 349.544 4.175 20 30 EIEDHN CCOc1ccc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000592974106 1037885466 /nfs/dbraw/zinc/88/54/66/1037885466.db2.gz NWCHIMWFQGSVQU-AWEZNQCLSA-N 0 3 340.379 4.324 20 30 EIEDHN Cc1ccc(-c2nn(C)cc2CN[C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000592368422 1037902364 /nfs/dbraw/zinc/90/23/64/1037902364.db2.gz JHINNWIAEKTEKC-LJQANCHMSA-N 0 3 346.434 4.027 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1c(C2CC2)nc2sccn12 ZINC000574060027 1037929589 /nfs/dbraw/zinc/92/95/89/1037929589.db2.gz MWPLVESBZLKTRW-QGZVFWFLSA-N 0 3 348.475 4.312 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000489777463 1038239440 /nfs/dbraw/zinc/23/94/40/1038239440.db2.gz KJTWZXKCRLDPML-UHFFFAOYSA-N 0 3 327.472 4.116 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000594429710 1038331780 /nfs/dbraw/zinc/33/17/80/1038331780.db2.gz VVQDONARZZSKKB-KRWDZBQOSA-N 0 3 331.485 4.071 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000594434315 1038332230 /nfs/dbraw/zinc/33/22/30/1038332230.db2.gz NJCCUIZUGSLNRX-GOSISDBHSA-N 0 3 339.464 4.188 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000594433528 1038332450 /nfs/dbraw/zinc/33/24/50/1038332450.db2.gz GJNLVYOSUXZFRC-MSOLQXFVSA-N 0 3 347.890 4.099 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000594426920 1038339695 /nfs/dbraw/zinc/33/96/95/1038339695.db2.gz RXBOWQOBRHVWHB-INIZCTEOSA-N 0 3 339.464 4.188 20 30 EIEDHN CC(C)c1ccc([C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)C)cc1 ZINC000594426764 1038340550 /nfs/dbraw/zinc/34/05/50/1038340550.db2.gz RWYGJRMNFLFXMB-MOPGFXCFSA-N 0 3 329.488 4.035 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000594426935 1038341232 /nfs/dbraw/zinc/34/12/32/1038341232.db2.gz RXBOWQOBRHVWHB-MRXNPFEDSA-N 0 3 339.464 4.188 20 30 EIEDHN COC(=O)c1ccc2c(c1)[C@H](N[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000594496813 1038345239 /nfs/dbraw/zinc/34/52/39/1038345239.db2.gz WNWUOHPTIMBBOP-JLTOFOAXSA-N 0 3 334.419 4.073 20 30 EIEDHN N#Cc1ccc(C2(NCc3ccc(OCC(F)F)cc3)CCC2)cc1 ZINC000594521185 1038360738 /nfs/dbraw/zinc/36/07/38/1038360738.db2.gz SINXZCBDUZXBGA-UHFFFAOYSA-N 0 3 342.389 4.371 20 30 EIEDHN CC(C)(NCc1ccc(C2(C#N)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000594941207 1038509874 /nfs/dbraw/zinc/50/98/74/1038509874.db2.gz QXKNOAFIBJKNGD-UHFFFAOYSA-N 0 3 335.407 4.175 20 30 EIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000424187795 1038730991 /nfs/dbraw/zinc/73/09/91/1038730991.db2.gz BJJZDIKQNRJBGB-NWDGAFQWSA-N 0 3 345.786 4.290 20 30 EIEDHN Cc1ccc2c(CN(Cc3ccc(C#N)cc3)C(C)C)cc(=O)oc2c1 ZINC000063751186 1038806017 /nfs/dbraw/zinc/80/60/17/1038806017.db2.gz KIBDRGVGBODQLX-UHFFFAOYSA-N 0 3 346.430 4.384 20 30 EIEDHN Cc1cccc2c(CCC(=O)C(C#N)c3nc4ccccc4o3)c[nH]c21 ZINC000174015593 1038819328 /nfs/dbraw/zinc/81/93/28/1038819328.db2.gz ZREXRSKJWWHYIA-MRXNPFEDSA-N 0 3 343.386 4.427 20 30 EIEDHN CC(C)(C)c1ccc(N2CCC(NCc3ccc(C#N)o3)CC2)cc1 ZINC000174299323 1038897146 /nfs/dbraw/zinc/89/71/46/1038897146.db2.gz IXGMOEJTDDYOTB-UHFFFAOYSA-N 0 3 337.467 4.207 20 30 EIEDHN C=CCCc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000505052890 1038951767 /nfs/dbraw/zinc/95/17/67/1038951767.db2.gz ZNZZWYXTEQAUIO-FQEVSTJZSA-N 0 3 349.478 4.201 20 30 EIEDHN C=CCC[C@@H](N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ccco1 ZINC000552049173 1039072136 /nfs/dbraw/zinc/07/21/36/1039072136.db2.gz NYUHIGCWZSWVAK-RHSMWYFYSA-N 0 3 332.394 4.434 20 30 EIEDHN C=CCC[C@H](N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ccco1 ZINC000552049172 1039073814 /nfs/dbraw/zinc/07/38/14/1039073814.db2.gz NYUHIGCWZSWVAK-PBHICJAKSA-N 0 3 332.394 4.434 20 30 EIEDHN C=CCC[C@@H](NCCOc1ccc(C(F)(F)F)cn1)c1ccco1 ZINC000552063149 1039086617 /nfs/dbraw/zinc/08/66/17/1039086617.db2.gz QGFPXAKIYADPRI-CQSZACIVSA-N 0 3 340.345 4.369 20 30 EIEDHN N#Cc1csc(CNCCC(c2ccccc2)c2ccccc2)n1 ZINC000557536809 1039354406 /nfs/dbraw/zinc/35/44/06/1039354406.db2.gz BIIXZOFYLPIVSG-UHFFFAOYSA-N 0 3 333.460 4.327 20 30 EIEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC000481391690 1039375594 /nfs/dbraw/zinc/37/55/94/1039375594.db2.gz MREFBHNSOFPEEC-IFXJQAMLSA-N 0 3 331.818 4.196 20 30 EIEDHN C=C(C)[C@@H](NC[C@@H](O)CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000481593823 1039608878 /nfs/dbraw/zinc/60/88/78/1039608878.db2.gz FUMOCBHQXDAABJ-FXAWDEMLSA-N 0 3 331.406 4.165 20 30 EIEDHN Cc1cc([C@@H](C)NCc2cn(C)nc2-c2ccc(C#N)cc2)ccc1F ZINC000478379487 1039727439 /nfs/dbraw/zinc/72/74/39/1039727439.db2.gz AERAWSFARLLIEB-OAHLLOKOSA-N 0 3 348.425 4.257 20 30 EIEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000514232916 1039787961 /nfs/dbraw/zinc/78/79/61/1039787961.db2.gz SEWYFEMTVMVLQM-KZULUSFZSA-N 0 3 332.806 4.389 20 30 EIEDHN CC[C@@H](CN(CC)[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481730775 1039794723 /nfs/dbraw/zinc/79/47/23/1039794723.db2.gz DHGGJDPMMCLOEY-ROUUACIJSA-N 0 3 349.478 4.401 20 30 EIEDHN C[C@@H](c1ccncc1)N1CCC(Nc2c(Cl)cccc2C#N)CC1 ZINC000425243983 1039926650 /nfs/dbraw/zinc/92/66/50/1039926650.db2.gz UVKLPOHXMXHVDO-AWEZNQCLSA-N 0 3 340.858 4.244 20 30 EIEDHN C=C[C@](C)(CC)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000482057492 1039987644 /nfs/dbraw/zinc/98/76/44/1039987644.db2.gz ZAJRCRREWBWHGB-OAQYLSRUSA-N 0 3 343.515 4.066 20 30 EIEDHN CN(C)Cc1ccc(-c2noc(C[C@@H](CC#N)c3ccccc3)n2)cc1 ZINC000514755447 1040205194 /nfs/dbraw/zinc/20/51/94/1040205194.db2.gz KBKBGZAZBAFEHR-LJQANCHMSA-N 0 3 346.434 4.038 20 30 EIEDHN CCCOc1ccc(OCCNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000551406265 1040267850 /nfs/dbraw/zinc/26/78/50/1040267850.db2.gz LBVUDEHUXIUINH-UHFFFAOYSA-N 0 3 336.435 4.005 20 30 EIEDHN C=C[C@H](CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000535439879 1040272410 /nfs/dbraw/zinc/27/24/10/1040272410.db2.gz IXCGNLWLTCWDNB-IRLDBZIGSA-N 0 3 348.490 4.079 20 30 EIEDHN Cc1ccc(Cl)cc1NC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000160124481 1040362712 /nfs/dbraw/zinc/36/27/12/1040362712.db2.gz FGIZGDODHUKVDC-LBPRGKRZSA-N 0 3 333.844 4.474 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc([C@@H]3CCOC3)c2)n1 ZINC000551661159 1040484525 /nfs/dbraw/zinc/48/45/25/1040484525.db2.gz IVTUSCMVAXMXSE-CVEARBPZSA-N 0 3 340.448 4.260 20 30 EIEDHN CC[C@H](CNCc1ccc(C#N)o1)Oc1cccc(C(F)(F)F)c1 ZINC000539511200 1040506339 /nfs/dbraw/zinc/50/63/39/1040506339.db2.gz BYDJBZVTFIDYQH-CYBMUJFWSA-N 0 3 338.329 4.117 20 30 EIEDHN COc1ccc(CN(C)Cc2ccc(C)cc2)cc1OCCCC#N ZINC000160640347 1040647053 /nfs/dbraw/zinc/64/70/53/1040647053.db2.gz STSMIKSLTVMDRE-UHFFFAOYSA-N 0 3 338.451 4.318 20 30 EIEDHN C[C@H](NC[C@@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1Cl ZINC000554085509 1040791523 /nfs/dbraw/zinc/79/15/23/1040791523.db2.gz KSROHSMLHVMJRP-JSGCOSHPSA-N 0 3 349.261 4.292 20 30 EIEDHN Cn1cc(CN2CCCCC[C@H]2/C=C/c2cccs2)cc1C#N ZINC000483307339 1040812332 /nfs/dbraw/zinc/81/23/32/1040812332.db2.gz HDGIVWBKUFNENP-IJDCCNJMSA-N 0 3 325.481 4.416 20 30 EIEDHN C[C@@H](Cc1ccc(O)cc1)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000483614864 1040911886 /nfs/dbraw/zinc/91/18/86/1040911886.db2.gz OSIFDESOZHANKI-HNNXBMFYSA-N 0 3 347.380 4.326 20 30 EIEDHN N#Cc1ccc(OCCNCc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000462770330 1040924333 /nfs/dbraw/zinc/92/43/33/1040924333.db2.gz VIASLSJIBISTDL-UHFFFAOYSA-N 0 3 336.366 4.126 20 30 EIEDHN COc1cc([C@H](C)NCc2ccc(C)c(C#N)c2)ccc1SC ZINC000926966984 1041058451 /nfs/dbraw/zinc/05/84/51/1041058451.db2.gz PLWWJCGWGZZFKC-AWEZNQCLSA-N 0 3 326.465 4.448 20 30 EIEDHN COCCSc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000484080903 1041113180 /nfs/dbraw/zinc/11/31/80/1041113180.db2.gz NEFGHYNUVBCTTL-AWEZNQCLSA-N 0 3 344.455 4.287 20 30 EIEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)c1cccc(-n2cccn2)c1 ZINC000540388669 1041423394 /nfs/dbraw/zinc/42/33/94/1041423394.db2.gz TWVCPEJRHXBMTF-INIZCTEOSA-N 0 3 335.838 4.228 20 30 EIEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1cccc(-n2cccn2)c1 ZINC000540388672 1041424357 /nfs/dbraw/zinc/42/43/57/1041424357.db2.gz TWVCPEJRHXBMTF-MRXNPFEDSA-N 0 3 335.838 4.228 20 30 EIEDHN CC[C@H](C)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000540415080 1041442146 /nfs/dbraw/zinc/44/21/46/1041442146.db2.gz KYMAJFAAUWXKHG-ZOCIIQOWSA-N 0 3 349.906 4.071 20 30 EIEDHN N#Cc1ccccc1N1CCCN(Cc2ccc3occc3c2)CC1 ZINC000554849344 1041454337 /nfs/dbraw/zinc/45/43/37/1041454337.db2.gz UKGGVCXFJGCFBU-UHFFFAOYSA-N 0 3 331.419 4.017 20 30 EIEDHN C=C(C)[C@H](N[C@@H](C)Cc1cccc(OC)n1)c1ccc(F)c(F)c1 ZINC000480679685 1041476566 /nfs/dbraw/zinc/47/65/66/1041476566.db2.gz JJOSHNBREOWMJA-DJJJIMSYSA-N 0 3 332.394 4.206 20 30 EIEDHN COc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)c(C(F)(F)F)c1 ZINC000516605979 1041663536 /nfs/dbraw/zinc/66/35/36/1041663536.db2.gz ZXQHAXSTSNHXBD-SFHVURJKSA-N 0 3 346.352 4.363 20 30 EIEDHN Cc1cccc(-c2n[nH]cc2CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000517338120 1041962722 /nfs/dbraw/zinc/96/27/22/1041962722.db2.gz HNRXXHNGKGQPFM-NRFANRHFSA-N 0 3 342.446 4.424 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1c[nH]nc1-c1ccsc1 ZINC000517338039 1041963085 /nfs/dbraw/zinc/96/30/85/1041963085.db2.gz BHYWPTFBSVMUJW-SFHVURJKSA-N 0 3 334.448 4.177 20 30 EIEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000464564998 1042065013 /nfs/dbraw/zinc/06/50/13/1042065013.db2.gz ZPSDZDPBECREEL-SJORKVTESA-N 0 3 334.529 4.240 20 30 EIEDHN C[C@@H](NC[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)cc1F ZINC000541904625 1042170563 /nfs/dbraw/zinc/17/05/63/1042170563.db2.gz DPDDJKJCVVJOEF-YJYMSZOUSA-N 0 3 345.849 4.304 20 30 EIEDHN C[C@@H](NC[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)cc1F ZINC000541904622 1042170712 /nfs/dbraw/zinc/17/07/12/1042170712.db2.gz DPDDJKJCVVJOEF-BFUOFWGJSA-N 0 3 345.849 4.304 20 30 EIEDHN CC(C)(CCC#N)CN1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000506438378 1042418114 /nfs/dbraw/zinc/41/81/14/1042418114.db2.gz INROIWIHRMVIRE-UHFFFAOYSA-N 0 3 339.405 4.157 20 30 EIEDHN C[C@H](N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271960288 1042562130 /nfs/dbraw/zinc/56/21/30/1042562130.db2.gz QYWIYXFIAFHUOT-BKOMCJNNSA-N 0 3 346.352 4.156 20 30 EIEDHN CCN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@H](C)C(C)C ZINC000174863832 1042717212 /nfs/dbraw/zinc/71/72/12/1042717212.db2.gz OYUZJNQKIZLDPE-MRXNPFEDSA-N 0 3 325.456 4.104 20 30 EIEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000322985582 1042838993 /nfs/dbraw/zinc/83/89/93/1042838993.db2.gz XFZPTLQBVRVUMU-UHOSZYNNSA-N 0 3 332.875 4.117 20 30 EIEDHN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNCCCCC#N ZINC000178993139 1042978330 /nfs/dbraw/zinc/97/83/30/1042978330.db2.gz GVZBPXKMYCTFHW-UHFFFAOYSA-N 0 3 344.890 4.492 20 30 EIEDHN C=CCSCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494051047 1043008861 /nfs/dbraw/zinc/00/88/61/1043008861.db2.gz VNJMQGJNLXZCRR-SFHVURJKSA-N 0 3 328.437 4.193 20 30 EIEDHN C=CC[C@H](C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1 ZINC000427772510 1043194343 /nfs/dbraw/zinc/19/43/43/1043194343.db2.gz VJNAABVSXBYDPI-BWAGFHJFSA-N 0 3 348.490 4.126 20 30 EIEDHN COc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1OC1CCCC1 ZINC000185824551 1043221736 /nfs/dbraw/zinc/22/17/36/1043221736.db2.gz NHCJIUORTBDOTN-WBVHZDCISA-N 0 3 328.456 4.189 20 30 EIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCCC(C)C ZINC000428064415 1043314799 /nfs/dbraw/zinc/31/47/99/1043314799.db2.gz PTNVUXPGJUQBKE-UHFFFAOYSA-N 0 3 336.549 4.021 20 30 EIEDHN C#CCOc1ccccc1CN[C@@H](CCCOC)c1ccc(F)cc1 ZINC000282507691 1043322159 /nfs/dbraw/zinc/32/21/59/1043322159.db2.gz YPVJDAWRMCEGLP-FQEVSTJZSA-N 0 3 341.426 4.095 20 30 EIEDHN C=CC[C@H]1CCN(Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000625703306 1043361134 /nfs/dbraw/zinc/36/11/34/1043361134.db2.gz MSZDUGQSQDWWFG-AWEZNQCLSA-N 0 3 344.480 4.225 20 30 EIEDHN C[C@@H](N[C@@H](C)c1csc2ccccc21)C(=O)Nc1ccccc1C#N ZINC000730019865 1043435193 /nfs/dbraw/zinc/43/51/93/1043435193.db2.gz TYUTWUNVQGHVBF-UONOGXRCSA-N 0 3 349.459 4.451 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\Cc1ccccc1C[NH+]1CCCC1 ZINC000730550459 1043554122 /nfs/dbraw/zinc/55/41/22/1043554122.db2.gz VFIUCLOPRTZFGP-BKUYFWCQSA-N 0 3 328.843 4.261 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(F)c(COC)c2)c([O-])c1 ZINC000730733157 1043594332 /nfs/dbraw/zinc/59/43/32/1043594332.db2.gz VJIPNYCTZTYGHA-LPYMAVHISA-N 0 3 344.430 4.143 20 30 EIEDHN N#CCOc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000731213971 1043715152 /nfs/dbraw/zinc/71/51/52/1043715152.db2.gz JWDSBTHWTOWGRQ-UHFFFAOYSA-N 0 3 346.352 4.387 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2cc(F)ccc2s1 ZINC000193265681 1044029750 /nfs/dbraw/zinc/02/97/50/1044029750.db2.gz AQPOTKMVXPMXKR-CYBMUJFWSA-N 0 3 349.390 4.417 20 30 EIEDHN C[C@@H](NCc1ccc(COCC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000173849677 1044182361 /nfs/dbraw/zinc/18/23/61/1044182361.db2.gz WLEHKYYAOOVNSF-CQSZACIVSA-N 0 3 348.368 4.488 20 30 EIEDHN C[C@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(C#N)cc1 ZINC000173856607 1044183871 /nfs/dbraw/zinc/18/38/71/1044183871.db2.gz ILJLLHSOIXWFBM-HNNXBMFYSA-N 0 3 345.402 4.254 20 30 EIEDHN CCc1ccc(CNCc2ccc(OC)c(O[C@H](C#N)CC)c2)s1 ZINC000733330319 1044199039 /nfs/dbraw/zinc/19/90/39/1044199039.db2.gz UHLJMCGYUZZPIS-HNNXBMFYSA-N 0 3 344.480 4.290 20 30 EIEDHN Cc1ccc(-c2nc(CNCCc3cccc(C#N)c3)cs2)cc1 ZINC000466409624 1044404796 /nfs/dbraw/zinc/40/47/96/1044404796.db2.gz LWFSEPSROASRCI-UHFFFAOYSA-N 0 3 333.460 4.323 20 30 EIEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000734079161 1044479688 /nfs/dbraw/zinc/47/96/88/1044479688.db2.gz LRZSJYRXSWXQIC-BLLLJJGKSA-N 0 3 332.831 4.204 20 30 EIEDHN CCC(CC)CN(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000734149362 1044495837 /nfs/dbraw/zinc/49/58/37/1044495837.db2.gz JEOWVLSTCXKJDA-OAHLLOKOSA-N 0 3 343.496 4.231 20 30 EIEDHN COc1cc2c(cc1OC)[C@@H](NCc1csc(C#N)c1)CCCC2 ZINC000922335372 1044560804 /nfs/dbraw/zinc/56/08/04/1044560804.db2.gz QZOACKRDJHNYIH-KRWDZBQOSA-N 0 3 342.464 4.194 20 30 EIEDHN C=CC[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000495049216 1044613906 /nfs/dbraw/zinc/61/39/06/1044613906.db2.gz QZBUYRIFGKSAPV-FGZHOGPDSA-N 0 3 348.490 4.127 20 30 EIEDHN C=CCN(CCc1ccco1)Cc1ccc(OC)c(OC(F)F)c1 ZINC000495109565 1044687633 /nfs/dbraw/zinc/68/76/33/1044687633.db2.gz PTJRBSNKGSZOKQ-UHFFFAOYSA-N 0 3 337.366 4.120 20 30 EIEDHN N#Cc1ccc(-c2cccc(CNCc3cccc(C#N)c3)c2)s1 ZINC000740011485 1045172302 /nfs/dbraw/zinc/17/23/02/1045172302.db2.gz OCDVGFIMZLTHKX-UHFFFAOYSA-N 0 3 329.428 4.448 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2ccccc2Cl)c([O-])c1 ZINC000740763877 1045218737 /nfs/dbraw/zinc/21/87/37/1045218737.db2.gz SAVODAIKLXEARF-CIPMJJFUSA-N 0 3 346.858 4.044 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)s1 ZINC000611252799 1045265525 /nfs/dbraw/zinc/26/55/25/1045265525.db2.gz UKNWMWCDOYSURI-UHFFFAOYSA-N 0 3 340.448 4.293 20 30 EIEDHN CC(C)[C@@H](NCc1ccnc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000611385899 1045294003 /nfs/dbraw/zinc/29/40/03/1045294003.db2.gz HVGOFAXCFRSXDJ-QGZVFWFLSA-N 0 3 333.357 4.459 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccnc(OC2CCCC2)c1 ZINC000611390959 1045296393 /nfs/dbraw/zinc/29/63/93/1045296393.db2.gz XPJQWBYEWMQIGS-NRFANRHFSA-N 0 3 347.462 4.442 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(N2CCCCC2)nc1 ZINC000611390695 1045297621 /nfs/dbraw/zinc/29/76/21/1045297621.db2.gz PPHPHFDBUOWAOX-OAQYLSRUSA-N 0 3 346.478 4.111 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(-n2ccnc2)c(F)c1 ZINC000611391337 1045302930 /nfs/dbraw/zinc/30/29/30/1045302930.db2.gz BUQMINUJJVNBHO-FQEVSTJZSA-N 0 3 346.409 4.050 20 30 EIEDHN N#CCCCCN1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000068859980 1045755407 /nfs/dbraw/zinc/75/54/07/1045755407.db2.gz MXVREEWZUKAKBO-UHFFFAOYSA-N 0 3 348.450 4.383 20 30 EIEDHN C=CCOc1ccc(CN2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000768235031 1045759692 /nfs/dbraw/zinc/75/96/92/1045759692.db2.gz VXSVOFIMDINRIO-JOCHJYFZSA-N 0 3 337.463 4.197 20 30 EIEDHN C=CCOc1cccc(CN2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000768235002 1045761811 /nfs/dbraw/zinc/76/18/11/1045761811.db2.gz UYKVSMIFCRVEOB-QFIPXVFZSA-N 0 3 337.463 4.197 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\CCO[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC000915978516 1045850193 /nfs/dbraw/zinc/85/01/93/1045850193.db2.gz HOPNUVQQEXYLAV-CVMPDPLCSA-N 0 3 332.488 4.253 20 30 EIEDHN N#CC(C(=O)CCCOCc1ccccc1)c1nccc2ccccc21 ZINC000792107540 1045859143 /nfs/dbraw/zinc/85/91/43/1045859143.db2.gz WNJPWRXPKRGGCP-FQEVSTJZSA-N 0 3 344.414 4.408 20 30 EIEDHN C=CCc1cc(C[N@H+](CCC)Cc2ccccc2[O-])cc(OC)c1O ZINC000769201373 1045894378 /nfs/dbraw/zinc/89/43/78/1045894378.db2.gz SLPLSKGXYKCYNU-UHFFFAOYSA-N 0 3 341.451 4.247 20 30 EIEDHN C=CCc1cc(C[N@@H+](CCC)Cc2ccccc2[O-])cc(OC)c1O ZINC000769201373 1045894375 /nfs/dbraw/zinc/89/43/75/1045894375.db2.gz SLPLSKGXYKCYNU-UHFFFAOYSA-N 0 3 341.451 4.247 20 30 EIEDHN CC(C)N(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CCC1 ZINC000077357048 1045941460 /nfs/dbraw/zinc/94/14/60/1045941460.db2.gz UBNFVGPNZGYQRG-HNNXBMFYSA-N 0 3 345.512 4.282 20 30 EIEDHN CC(=O)[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC001170359382 1046014391 /nfs/dbraw/zinc/01/43/91/1046014391.db2.gz UJZDUQAKIMKLDI-ORFBVSJDSA-N 0 3 332.447 4.310 20 30 EIEDHN N#CC1(c2ccccc2)CCC(N2CC3(C2)CC(F)(F)CS3)CC1 ZINC001170394862 1046028782 /nfs/dbraw/zinc/02/87/82/1046028782.db2.gz CRZYRHAIFXTHJW-UHFFFAOYSA-N 0 3 348.462 4.217 20 30 EIEDHN CCC[C@@H](NC[C@@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168510152 1046046660 /nfs/dbraw/zinc/04/66/60/1046046660.db2.gz SRPSUICABSOPSK-RTBURBONSA-N 0 3 330.378 4.001 20 30 EIEDHN C=CC[C@@H]1N(Cc2nnc(-c3cccc(F)c3)o2)CCCC1(C)C ZINC000769952199 1046108018 /nfs/dbraw/zinc/10/80/18/1046108018.db2.gz AQQQFBTVYYWMPL-INIZCTEOSA-N 0 3 329.419 4.442 20 30 EIEDHN Cc1cc(CN[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)ccc1C#N ZINC000488142653 1046115208 /nfs/dbraw/zinc/11/52/08/1046115208.db2.gz CIZPWYOXLHBMEW-HNNXBMFYSA-N 0 3 348.450 4.001 20 30 EIEDHN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000769990905 1046123465 /nfs/dbraw/zinc/12/34/65/1046123465.db2.gz PKPQELIDLUFVCP-QZTJIDSGSA-N 0 3 348.368 4.183 20 30 EIEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1csc2ccccc21 ZINC000793583323 1046300090 /nfs/dbraw/zinc/30/00/90/1046300090.db2.gz AWVDESBDRAYBJR-ZDUSSCGKSA-N 0 3 332.432 4.271 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)c2ccc(Cl)cc2)c([O-])c1 ZINC000793667224 1046322006 /nfs/dbraw/zinc/32/20/06/1046322006.db2.gz IFLPOBSKEHQDKB-GFIJVFARSA-N 0 3 346.858 4.044 20 30 EIEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc(C(C)(C)C)cc2)nc(C)n1 ZINC000916880368 1046416201 /nfs/dbraw/zinc/41/62/01/1046416201.db2.gz POXDJUQMHPTNJT-YFWYWMRJSA-N 0 3 333.435 4.281 20 30 EIEDHN CN(C)[C@H](CNc1nc(Cl)c(C#N)s1)c1ccc(Cl)cc1 ZINC000804531684 1046573178 /nfs/dbraw/zinc/57/31/78/1046573178.db2.gz QHROTDUJSUWZFC-LLVKDONJSA-N 0 3 341.267 4.036 20 30 EIEDHN N#CC(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1nc2ccccc2[nH]1 ZINC000786273932 1046822795 /nfs/dbraw/zinc/82/27/95/1046822795.db2.gz CEKVWIDRFUACBO-GMTAPVOTSA-N 0 3 341.823 4.258 20 30 EIEDHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNCC(C)(C)CC#N ZINC000459661727 1046845775 /nfs/dbraw/zinc/84/57/75/1046845775.db2.gz BTAZOAJYTRULCG-UHFFFAOYSA-N 0 3 344.890 4.231 20 30 EIEDHN CC[C@@H](C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547625 1046851162 /nfs/dbraw/zinc/85/11/62/1046851162.db2.gz UUJSDAWZZSFYGV-RHSMWYFYSA-N 0 3 348.874 4.272 20 30 EIEDHN CC[C@H](C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547626 1046851496 /nfs/dbraw/zinc/85/14/96/1046851496.db2.gz UUJSDAWZZSFYGV-WMLDXEAASA-N 0 3 348.874 4.272 20 30 EIEDHN COc1ccc([C@@H](Cc2ccncc2)NCc2ccc(C#N)cc2)cc1 ZINC000796692371 1047023679 /nfs/dbraw/zinc/02/36/79/1047023679.db2.gz BWIDPHMOJRFWBH-JOCHJYFZSA-N 0 3 343.430 4.035 20 30 EIEDHN C=CCc1ccccc1OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805849655 1047037554 /nfs/dbraw/zinc/03/75/54/1047037554.db2.gz BGIWAWAAHMWULQ-UHFFFAOYSA-N 0 3 335.447 4.233 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(-n2cccn2)c1 ZINC000537406628 1047199663 /nfs/dbraw/zinc/19/96/63/1047199663.db2.gz FTSUWCYSLUBVDG-CABCVRRESA-N 0 3 334.398 4.295 20 30 EIEDHN COc1cc(C)c([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000537408378 1047202817 /nfs/dbraw/zinc/20/28/17/1047202817.db2.gz XJHKSCSSYKPILZ-UONOGXRCSA-N 0 3 342.414 4.435 20 30 EIEDHN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1ccc(OC)c(C#N)c1 ZINC000788984050 1047342057 /nfs/dbraw/zinc/34/20/57/1047342057.db2.gz MNZSSMHRGBVNDV-IBGZPJMESA-N 0 3 336.435 4.088 20 30 EIEDHN C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc[nH]1 ZINC000760444092 1047371574 /nfs/dbraw/zinc/37/15/74/1047371574.db2.gz FBRADURPJWLDJD-MRXNPFEDSA-N 0 3 331.419 4.316 20 30 EIEDHN N#CC(C(=O)CCCOc1cccc(F)c1)c1ccc2ccccc2n1 ZINC000918480615 1047460256 /nfs/dbraw/zinc/46/02/56/1047460256.db2.gz AYUGYGFUHOGZAG-SFHVURJKSA-N 0 3 348.377 4.409 20 30 EIEDHN C=C(C)COc1cc(CN[C@H](c2ccncc2)C2CC2)ccc1OC ZINC000898323990 1047616364 /nfs/dbraw/zinc/61/63/64/1047616364.db2.gz AWRNDYPSBRZHHX-NRFANRHFSA-N 0 3 338.451 4.286 20 30 EIEDHN C[C@H]1C[C@H](Nc2snc(Cl)c2C#N)CCN1Cc1ccccc1 ZINC000080230796 1047819059 /nfs/dbraw/zinc/81/90/59/1047819059.db2.gz UKZNUFVRBQHCID-GXTWGEPZSA-N 0 3 346.887 4.133 20 30 EIEDHN N#Cc1ccc2ncc(CN[C@@H](CC3CCC3)c3ccccc3)n2c1 ZINC000556601599 1047839049 /nfs/dbraw/zinc/83/90/49/1047839049.db2.gz PTRFIKRTEUNJTI-FQEVSTJZSA-N 0 3 330.435 4.227 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)cc1 ZINC000824716170 1047910075 /nfs/dbraw/zinc/91/00/75/1047910075.db2.gz SRCMMLZMPDJHSA-NFAWXSAZSA-N 0 3 326.362 4.140 20 30 EIEDHN N#Cc1cccc(CN2CCC(Cc3c(F)cccc3F)CC2)c1 ZINC001171078906 1048060554 /nfs/dbraw/zinc/06/05/54/1048060554.db2.gz VWKLVVHINHKCEQ-UHFFFAOYSA-N 0 3 326.390 4.291 20 30 EIEDHN CC(=NNc1ccc(C(F)(F)F)cc1)c1cc(F)c(N)c(F)c1 ZINC000814881963 1048233601 /nfs/dbraw/zinc/23/36/01/1048233601.db2.gz CUWFBVNPBUKAMS-UHFFFAOYSA-N 0 3 329.272 4.402 20 30 EIEDHN CC(C)(C)Oc1ccc([C@@H]2CCN(Cc3cncc(C#N)c3)C2)cc1 ZINC001144086376 1048404069 /nfs/dbraw/zinc/40/40/69/1048404069.db2.gz PQXCJMCQXFJAGP-LJQANCHMSA-N 0 3 335.451 4.120 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)NCc1nc(-c2ccccc2)cs1 ZINC001171189736 1048687506 /nfs/dbraw/zinc/68/75/06/1048687506.db2.gz KMWFVHFNCYRONI-OAHLLOKOSA-N 0 3 333.460 4.403 20 30 EIEDHN COc1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])ccc1C#N ZINC000810251825 1048730149 /nfs/dbraw/zinc/73/01/49/1048730149.db2.gz YTNURRQEAPKZLK-LBPRGKRZSA-N 0 3 330.815 4.085 20 30 EIEDHN C#Cc1ccc(CN2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC001144573419 1048732415 /nfs/dbraw/zinc/73/24/15/1048732415.db2.gz JBBUFZBKTNPPCB-UHFFFAOYSA-N 0 3 325.839 4.365 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)N[C@@H](c1ncccc1Cl)C1CC1 ZINC001171201102 1048751371 /nfs/dbraw/zinc/75/13/71/1048751371.db2.gz HWVUKGUROLNTMF-FZKQIMNGSA-N 0 3 325.843 4.279 20 30 EIEDHN CCC[C@H](C(=O)C(C#N)c1nc2ccccc2s1)c1ccccn1 ZINC000810520783 1048806104 /nfs/dbraw/zinc/80/61/04/1048806104.db2.gz JJJRSSVSFHFGLL-KBPBESRZSA-N 0 3 335.432 4.451 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)N(C)Cc1ncccc1C(F)(F)F ZINC001171211449 1048809492 /nfs/dbraw/zinc/80/94/92/1048809492.db2.gz ZUGMRLXRHRZFKF-CYBMUJFWSA-N 0 3 333.357 4.035 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000920944097 1048817422 /nfs/dbraw/zinc/81/74/22/1048817422.db2.gz PQZQADXYDAULIC-PKIWBCANSA-N 0 3 328.843 4.302 20 30 EIEDHN CC(C)Oc1ccc(C(=O)NCCP(C(C)C)C(C)C)cc1C#N ZINC001148779137 1049368822 /nfs/dbraw/zinc/36/88/22/1049368822.db2.gz GUSWSCBRJHFCEN-UHFFFAOYSA-N 0 3 348.427 4.374 20 30 EIEDHN COc1ccc(CN[C@@H]2CCCc3ccc(Cl)cc32)cc1C#N ZINC000773078278 1049567325 /nfs/dbraw/zinc/56/73/25/1049567325.db2.gz WAKFQJZTQDWIQI-GOSISDBHSA-N 0 3 326.827 4.387 20 30 EIEDHN N#Cc1ccc2ncc(CN[C@H](c3ccc(Cl)cc3)C3CC3)n2c1 ZINC000237745024 1049737045 /nfs/dbraw/zinc/73/70/45/1049737045.db2.gz ULTNZYDBDMLBMR-IBGZPJMESA-N 0 3 336.826 4.100 20 30 EIEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@@H](C)CCc1ccc(C)cc1)C2 ZINC001171672687 1049775709 /nfs/dbraw/zinc/77/57/09/1049775709.db2.gz CXFGSUWOXVVPTA-BVSLBCMMSA-N 0 3 343.511 4.142 20 30 EIEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN([C@H](C)CCc1ccc(C)cc1)C2 ZINC001171672688 1049776137 /nfs/dbraw/zinc/77/61/37/1049776137.db2.gz CXFGSUWOXVVPTA-HJNYFJLDSA-N 0 3 343.511 4.142 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H](CO)c1ccc(Cl)cc1Cl ZINC001172293097 1049881899 /nfs/dbraw/zinc/88/18/99/1049881899.db2.gz BFGXDGGCUXCQHT-KZULUSFZSA-N 0 3 349.261 4.119 20 30 EIEDHN N#Cc1ccc(CN2CCC(Nc3cccc(Cl)c3)CC2)cc1 ZINC000180373701 1049886367 /nfs/dbraw/zinc/88/63/67/1049886367.db2.gz XTVCUZLVUODZPX-UHFFFAOYSA-N 0 3 325.843 4.288 20 30 EIEDHN CC(C)C[C@H]1CN([C@@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172501890 1049923472 /nfs/dbraw/zinc/92/34/72/1049923472.db2.gz SDZHIOKMYZOHQX-IRXDYDNUSA-N 0 3 337.508 4.036 20 30 EIEDHN C[C@H](CCCC#N)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC001172506791 1049925815 /nfs/dbraw/zinc/92/58/15/1049925815.db2.gz JGOHICZNJKWJTB-CQSZACIVSA-N 0 3 340.298 4.193 20 30 EIEDHN N#Cc1ccc(N2CCN([C@@H]3CC[C@@H](c4ccccc4)C3)CC2)c(F)c1 ZINC001172567232 1049937172 /nfs/dbraw/zinc/93/71/72/1049937172.db2.gz BZBRPQFXUYNPBF-WOJBJXKFSA-N 0 3 349.453 4.156 20 30 EIEDHN CCCC[C@H]1C[C@H](NCC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC001172621993 1049959433 /nfs/dbraw/zinc/95/94/33/1049959433.db2.gz KKUOZDMTAFXPLF-SJORKVTESA-N 0 3 349.519 4.228 20 30 EIEDHN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC1(CC#N)CCCC1 ZINC001173091035 1050283034 /nfs/dbraw/zinc/28/30/34/1050283034.db2.gz OKGUWZBAHRFTPA-ZDUSSCGKSA-N 0 3 326.362 4.332 20 30 EIEDHN N#CC(Cc1cccs1)C(=O)N(c1ccccc1)c1ccccc1N ZINC001177911233 1050323503 /nfs/dbraw/zinc/32/35/03/1050323503.db2.gz DKZUEZVJYJVQQJ-OAHLLOKOSA-N 0 3 347.443 4.377 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000181956332 1050396305 /nfs/dbraw/zinc/39/63/05/1050396305.db2.gz QAXNVTUPWVHIKO-BEFAXECRSA-N 0 3 349.434 4.099 20 30 EIEDHN C[C@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1cccc(C#N)c1 ZINC000181980884 1050401188 /nfs/dbraw/zinc/40/11/88/1050401188.db2.gz MBSRTRDDRABTAO-HNNXBMFYSA-N 0 3 336.435 4.364 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCC1([C@H]2CCCCO2)CCC1 ZINC001203277004 1050444153 /nfs/dbraw/zinc/44/41/53/1050444153.db2.gz XODARVRBAAQFNS-LJQANCHMSA-N 0 3 347.886 4.181 20 30 EIEDHN C=CCCn1cc(CNCC(C)(C)c2ccc(C(C)(C)C)cc2)nn1 ZINC001178382847 1050448603 /nfs/dbraw/zinc/44/86/03/1050448603.db2.gz QWYLBVVEXBKGLT-UHFFFAOYSA-N 0 3 340.515 4.219 20 30 EIEDHN CC(C)[C@@H]1CN(c2cc(F)ccc2C#N)CCN1Cc1ccccc1 ZINC001187045945 1050467869 /nfs/dbraw/zinc/46/78/69/1050467869.db2.gz ZFRKLNYYWFJFHH-NRFANRHFSA-N 0 3 337.442 4.044 20 30 EIEDHN CCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1OCC ZINC000618742722 1050500299 /nfs/dbraw/zinc/50/02/99/1050500299.db2.gz QEYYROXEMGDNQL-IBGZPJMESA-N 0 3 336.435 4.133 20 30 EIEDHN CCCCN(CCC#N)C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173683261 1050530343 /nfs/dbraw/zinc/53/03/43/1050530343.db2.gz WPLMZVXIAMOQJR-HZPDHXFCSA-N 0 3 337.508 4.179 20 30 EIEDHN CC[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000618804078 1050532757 /nfs/dbraw/zinc/53/27/57/1050532757.db2.gz JZDMRGHGZHUEPR-RTBURBONSA-N 0 3 334.419 4.058 20 30 EIEDHN CC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000618804073 1050533863 /nfs/dbraw/zinc/53/38/63/1050533863.db2.gz JZDMRGHGZHUEPR-MOPGFXCFSA-N 0 3 334.419 4.058 20 30 EIEDHN N#CC1(CN[C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173708602 1050550845 /nfs/dbraw/zinc/55/08/45/1050550845.db2.gz SIAGTKDSVFFWPA-FQEVSTJZSA-N 0 3 332.447 4.016 20 30 EIEDHN C[C@H](NCc1ccc(SC(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000775157147 1050667794 /nfs/dbraw/zinc/66/77/94/1050667794.db2.gz QSHOODWNAFHMQH-AWEZNQCLSA-N 0 3 339.464 4.183 20 30 EIEDHN C#CCOc1ccc(CN[C@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC001179516234 1050705724 /nfs/dbraw/zinc/70/57/24/1050705724.db2.gz VGMXCJBWUUMVBY-CQSZACIVSA-N 0 3 349.352 4.448 20 30 EIEDHN CSc1ccc(CNCc2c[nH]nc2-c2cccc(C)c2)cc1C#N ZINC001179583588 1050734422 /nfs/dbraw/zinc/73/44/22/1050734422.db2.gz IGEMSCAVXQOZPS-UHFFFAOYSA-N 0 3 348.475 4.269 20 30 EIEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508419 1050796206 /nfs/dbraw/zinc/79/62/06/1050796206.db2.gz PXNVISQKOOVRCA-RTWAWAEBSA-N 0 3 348.446 4.448 20 30 EIEDHN CN(C)Cc1ccc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)cc1 ZINC000619508153 1050796250 /nfs/dbraw/zinc/79/62/50/1050796250.db2.gz QEBMBLAEOUXZJP-UHFFFAOYSA-N 0 3 346.434 4.266 20 30 EIEDHN N#Cc1ccc(NC2=CCCN(Cc3ccccc3)C2)c2cccnc12 ZINC001174394683 1050911332 /nfs/dbraw/zinc/91/13/32/1050911332.db2.gz SRUOLYKUFTVEFE-UHFFFAOYSA-N 0 3 340.430 4.308 20 30 EIEDHN Cc1cc(CN2CC[C@@H](OCCCc3ccccc3)C2)ccc1C#N ZINC001180224764 1050920462 /nfs/dbraw/zinc/92/04/62/1050920462.db2.gz JBMVCDVTGJICJT-JOCHJYFZSA-N 0 3 334.463 4.090 20 30 EIEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N(CC)C2CCN(C)CC2)c1 ZINC001189264458 1050952437 /nfs/dbraw/zinc/95/24/37/1050952437.db2.gz WETGBHZJJVIPQL-UHFFFAOYSA-N 0 3 343.515 4.081 20 30 EIEDHN C=CCN(Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC001180706947 1051067767 /nfs/dbraw/zinc/06/77/67/1051067767.db2.gz BNGUUKATINYVMZ-UHFFFAOYSA-N 0 3 342.483 4.130 20 30 EIEDHN CC[C@@](C)(NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000775390455 1051194837 /nfs/dbraw/zinc/19/48/37/1051194837.db2.gz NJWTUTRHXQJAAS-LJQANCHMSA-N 0 3 341.842 4.065 20 30 EIEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CCC1CCCCC1 ZINC001190706658 1051250294 /nfs/dbraw/zinc/25/02/94/1051250294.db2.gz AUVKCFLCDUMETA-WBTXTPOCSA-N 0 3 347.547 4.208 20 30 EIEDHN C=C(CNCc1cccc(OCC)c1OC(F)F)c1ccccc1 ZINC000620757788 1051275806 /nfs/dbraw/zinc/27/58/06/1051275806.db2.gz HGOZAKVYOHVCBO-UHFFFAOYSA-N 0 3 333.378 4.490 20 30 EIEDHN Clc1ccccc1C#CCN[C@H](c1ccccc1)C1CCOCC1 ZINC000775437826 1051354016 /nfs/dbraw/zinc/35/40/16/1051354016.db2.gz DPLDZHDDYSFGCW-OAQYLSRUSA-N 0 3 339.866 4.449 20 30 EIEDHN C#C[C@@H](NC1CC2(C1)COC(C)(C)C2)c1ccc(Br)cc1 ZINC001182030891 1051375308 /nfs/dbraw/zinc/37/53/08/1051375308.db2.gz DLZNGMFVYINEFE-UPTPFMHGSA-N 0 3 348.284 4.061 20 30 EIEDHN N#CC(C(=O)Nc1cccc(F)c1)c1nc(-c2ccccc2)cs1 ZINC000155441179 1051420019 /nfs/dbraw/zinc/42/00/19/1051420019.db2.gz RJYNSPVPUBOHQT-OAHLLOKOSA-N 0 3 337.379 4.195 20 30 EIEDHN CCCCN(CC)[C@@H](C(=O)N[C@](C)(C#N)CC(C)C)c1ccccc1 ZINC001182234830 1051433122 /nfs/dbraw/zinc/43/31/22/1051433122.db2.gz GPJROZXWYQAHKE-CTNGQTDRSA-N 0 3 343.515 4.294 20 30 EIEDHN Cc1ccc(C)c(N2CCN(CCCCC3(C#N)CCC3)CC2)c1 ZINC001191531220 1051477280 /nfs/dbraw/zinc/47/72/80/1051477280.db2.gz PIVIXSZIEDVEJQ-UHFFFAOYSA-N 0 3 325.500 4.290 20 30 EIEDHN CC[C@H](NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000774169581 1051491134 /nfs/dbraw/zinc/49/11/34/1051491134.db2.gz SJWLMRXUZQQTSW-ROUUACIJSA-N 0 3 348.368 4.049 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCNc3ccccc32)c1 ZINC000774245218 1051520427 /nfs/dbraw/zinc/52/04/27/1051520427.db2.gz SBVKKQZUUNEQKK-LAUBAEHRSA-N 0 3 335.451 4.404 20 30 EIEDHN CN(C)[C@H](C/N=C/c1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000183872864 1051575984 /nfs/dbraw/zinc/57/59/84/1051575984.db2.gz RYERJDHHJIIBTH-CNPYVQQSSA-N 0 3 336.357 4.133 20 30 EIEDHN N#Cc1cc(NC2=CCN(Cc3ccccc3)CC2)cc(F)c1F ZINC001175506474 1051640972 /nfs/dbraw/zinc/64/09/72/1051640972.db2.gz BIJVIUDPASWFFA-UHFFFAOYSA-N 0 3 325.362 4.038 20 30 EIEDHN Cc1cc(CN2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)ccc1C#N ZINC001182666671 1051663600 /nfs/dbraw/zinc/66/36/00/1051663600.db2.gz PXXIKHLQXRCTCD-YPAWHYETSA-N 0 3 332.447 4.361 20 30 EIEDHN C[C@H](CC(C)(C)C#N)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001182665461 1051663653 /nfs/dbraw/zinc/66/36/53/1051663653.db2.gz GENXSYBVRYJUIN-OLMNPRSZSA-N 0 3 342.483 4.475 20 30 EIEDHN CSc1ccc(OCCN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC001192489590 1051756550 /nfs/dbraw/zinc/75/65/50/1051756550.db2.gz GUXJEHZLNYTIBA-UHFFFAOYSA-N 0 3 338.476 4.324 20 30 EIEDHN COC(=O)c1cccc(CN[C@H](CCC(C)C)C(C)(C)C)c1C#N ZINC001192604114 1051776521 /nfs/dbraw/zinc/77/65/21/1051776521.db2.gz JSNRFARRJMBOSV-GOSISDBHSA-N 0 3 330.472 4.285 20 30 EIEDHN C=CCCC[C@@H](NCc1cnnn1-c1ccccc1)c1ccccc1 ZINC001175775168 1051778875 /nfs/dbraw/zinc/77/88/75/1051778875.db2.gz OHLVIAYKQLTZJF-OAQYLSRUSA-N 0 3 332.451 4.455 20 30 EIEDHN N#CCC[C@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775553870 1051833184 /nfs/dbraw/zinc/83/31/84/1051833184.db2.gz RSZPFXNUBDLZFB-ROUUACIJSA-N 0 3 348.368 4.373 20 30 EIEDHN Cc1c2ccccc2sc1[C@@H](C)NCC(=O)Nc1cccc(C#N)c1 ZINC001193140826 1051879756 /nfs/dbraw/zinc/87/97/56/1051879756.db2.gz AMSZYQWICARZDW-CQSZACIVSA-N 0 3 349.459 4.371 20 30 EIEDHN CC[C@](C)(O)CN(Cc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001193516834 1051942300 /nfs/dbraw/zinc/94/23/00/1051942300.db2.gz IJPQYWLTFDRQKM-FQEVSTJZSA-N 0 3 342.870 4.375 20 30 EIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(C2(C(=O)OC)CC2)cc1 ZINC001194052133 1052061462 /nfs/dbraw/zinc/06/14/62/1052061462.db2.gz PKPUSJQMWDIWCV-UHFFFAOYSA-N 0 3 349.474 4.470 20 30 EIEDHN C=C(C)CN(CCCn1c2ccccc2[nH]c1=O)Cc1ccccc1 ZINC001194052142 1052062568 /nfs/dbraw/zinc/06/25/68/1052062568.db2.gz PSYSDBOKECETSM-UHFFFAOYSA-N 0 3 335.451 4.210 20 30 EIEDHN N#Cc1ccc(NC(=O)Nc2ccccc2CN2CCCCC2)cc1 ZINC001184753928 1052093531 /nfs/dbraw/zinc/09/35/31/1052093531.db2.gz PCYQXMGKIVCWIW-UHFFFAOYSA-N 0 3 334.423 4.188 20 30 EIEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCCCCCC1 ZINC001194400520 1052138863 /nfs/dbraw/zinc/13/88/63/1052138863.db2.gz JEENWHOJMLPJAE-KRWDZBQOSA-N 0 3 345.462 4.117 20 30 EIEDHN CCCCCCN(Cc1ccco1)C[C@@H](O)c1cccc(C#N)c1 ZINC001176828298 1052196376 /nfs/dbraw/zinc/19/63/76/1052196376.db2.gz QVDTXFQMXVHVRM-HXUWFJFHSA-N 0 3 326.440 4.267 20 30 EIEDHN C=CCOc1ccc(CN2CCC3(CCOCC3)CC2)cc1Cl ZINC000671311696 1052617450 /nfs/dbraw/zinc/61/74/50/1052617450.db2.gz FHQWCPMTGOEGDF-UHFFFAOYSA-N 0 3 335.875 4.297 20 30 EIEDHN CCC(CC)N(CC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001194782683 1053091352 /nfs/dbraw/zinc/09/13/52/1053091352.db2.gz VGFRFLJETXXJFL-UHFFFAOYSA-N 0 3 347.528 4.338 20 30 EIEDHN CCC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000794834136 1053453589 /nfs/dbraw/zinc/45/35/89/1053453589.db2.gz XMNDVHLNNQEDEK-UAOJZALGSA-N 0 3 326.415 4.250 20 30 EIEDHN N#Cc1ccsc1NC(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000171935385 1053599489 /nfs/dbraw/zinc/59/94/89/1053599489.db2.gz BSFOQZJZACBUTL-GOSISDBHSA-N 0 3 339.464 4.079 20 30 EIEDHN C[C@H](NC[C@H](O)CC1(C#N)CCC1)c1cc(Cl)cc(Cl)c1F ZINC001197611829 1053944365 /nfs/dbraw/zinc/94/43/65/1053944365.db2.gz WNVVWXQLAUGVIU-CMPLNLGQSA-N 0 3 345.245 4.228 20 30 EIEDHN CC(C)(C(=O)C(C#N)c1nc2cc(F)ccc2s1)[C@@H]1CCCCO1 ZINC000870195605 1054070002 /nfs/dbraw/zinc/07/00/02/1054070002.db2.gz LOEVHPOVFJLYQU-WFASDCNBSA-N 0 3 346.427 4.207 20 30 EIEDHN CCCCCCCOc1cccc(CN2CCC(NC(C)=O)CC2)c1 ZINC000123264077 1054122877 /nfs/dbraw/zinc/12/28/77/1054122877.db2.gz FPGWWPFVCXTRQB-UHFFFAOYSA-N 0 3 346.515 4.136 20 30 EIEDHN C=CCCCN(CC)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC001198457622 1054149750 /nfs/dbraw/zinc/14/97/50/1054149750.db2.gz FKDXLTASWYUDIZ-UHFFFAOYSA-N 0 3 343.471 4.021 20 30 EIEDHN CCCCCCCCNCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001199021480 1054321303 /nfs/dbraw/zinc/32/13/03/1054321303.db2.gz JJNBBJUSVXALAU-UHFFFAOYSA-N 0 3 336.480 4.274 20 30 EIEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052181 1054410708 /nfs/dbraw/zinc/41/07/08/1054410708.db2.gz UYTXJPFFSGZINQ-MGPUTAFESA-N 0 3 333.435 4.045 20 30 EIEDHN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000776011869 1054445343 /nfs/dbraw/zinc/44/53/43/1054445343.db2.gz BYBWBDVSLGAMHI-WMLDXEAASA-N 0 3 339.405 4.199 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000858320838 1054464712 /nfs/dbraw/zinc/46/47/12/1054464712.db2.gz KBCIWOUGUIGHGH-YJYMSZOUSA-N 0 3 326.827 4.408 20 30 EIEDHN CN(C)Cc1cccc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)c1 ZINC000858428935 1054487059 /nfs/dbraw/zinc/48/70/59/1054487059.db2.gz DWPUAIRIGGOXQT-UHFFFAOYSA-N 0 3 347.462 4.070 20 30 EIEDHN Cc1ccc(CN[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1C#N ZINC000859228903 1054648724 /nfs/dbraw/zinc/64/87/24/1054648724.db2.gz FQOVJHZCTIYGQA-HNNXBMFYSA-N 0 3 348.450 4.001 20 30 EIEDHN Cc1ccc(CN[C@H](C)c2ccc(N3CCCOC3=O)cc2)cc1C#N ZINC000859314717 1054659243 /nfs/dbraw/zinc/65/92/43/1054659243.db2.gz ZCZDRCZJQTZXNX-MRXNPFEDSA-N 0 3 349.434 4.064 20 30 EIEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21)C(F)(F)F ZINC000860470118 1054818876 /nfs/dbraw/zinc/81/88/76/1054818876.db2.gz NGUONKYHLFQTHW-RISCZKNCSA-N 0 3 348.324 4.076 20 30 EIEDHN CCCCCCCCN1CCn2cc(CN3CCCCC3)nc2C1 ZINC001201813925 1054912050 /nfs/dbraw/zinc/91/20/50/1054912050.db2.gz KYJARURGGJMVSG-UHFFFAOYSA-N 0 3 332.536 4.045 20 30 EIEDHN CCCCCCCCCN1CCCn2nnc(COCC3CC3)c2C1 ZINC001201839629 1054932142 /nfs/dbraw/zinc/93/21/42/1054932142.db2.gz OPTSNFXFYUUYMX-UHFFFAOYSA-N 0 3 348.535 4.161 20 30 EIEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000876593269 1054935596 /nfs/dbraw/zinc/93/55/96/1054935596.db2.gz YSBUHWUMZKZLAO-UONOGXRCSA-N 0 3 347.673 4.127 20 30 EIEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000876639465 1054942629 /nfs/dbraw/zinc/94/26/29/1054942629.db2.gz FOBJXRWHWBRIIR-MRVPVSSYSA-N 0 3 341.210 4.063 20 30 EIEDHN CCCCCCCOc1ccc(CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000777223033 1055005482 /nfs/dbraw/zinc/00/54/82/1055005482.db2.gz VHBOYQUGZVTLRU-LJQANCHMSA-N 0 3 342.487 4.074 20 30 EIEDHN Cc1ccc(-c2ccccc2NC(=O)[C@H](N)CCCCC#N)s1 ZINC000877133690 1055023024 /nfs/dbraw/zinc/02/30/24/1055023024.db2.gz GZSIERURYQQDAP-OAHLLOKOSA-N 0 3 327.453 4.073 20 30 EIEDHN C[C@H](NC1CCC(C#N)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000877471311 1055059140 /nfs/dbraw/zinc/05/91/40/1055059140.db2.gz VCOSMJADCBVAQW-BZUNDVKYSA-N 0 3 330.819 4.123 20 30 EIEDHN CC(C)(C)OC(=O)Nc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000877622651 1055094338 /nfs/dbraw/zinc/09/43/38/1055094338.db2.gz RWNBQFACCABKII-OAHLLOKOSA-N 0 3 329.444 4.159 20 30 EIEDHN C[C@]1(C(F)(F)F)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000877812386 1055124902 /nfs/dbraw/zinc/12/49/02/1055124902.db2.gz OMWMGIJPYLFDES-INIZCTEOSA-N 0 3 326.362 4.143 20 30 EIEDHN CC(=O)[C@](C#N)(CCN(CCc1ccccc1)C1CC1)c1ccccc1 ZINC000878002609 1055171768 /nfs/dbraw/zinc/17/17/68/1055171768.db2.gz FHABSXCTWBSXIQ-HSZRJFAPSA-N 0 3 346.474 4.134 20 30 EIEDHN CCS[C@@H]1CC[C@H](N(C)CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878151410 1055195163 /nfs/dbraw/zinc/19/51/63/1055195163.db2.gz QHCJYSNRFIZWDF-ZCNNSNEGSA-N 0 3 344.524 4.033 20 30 EIEDHN C=CC[C@H]1N(Cc2nnc(-c3cccc(O)c3)o2)CCCC1(C)C ZINC000878515839 1055333103 /nfs/dbraw/zinc/33/31/03/1055333103.db2.gz JBRMIRCTYYUGLR-MRXNPFEDSA-N 0 3 327.428 4.009 20 30 EIEDHN C=CC[C@H]1N(Cc2nnc(-c3ccccc3O)o2)CCCC1(C)C ZINC000878516096 1055333309 /nfs/dbraw/zinc/33/33/09/1055333309.db2.gz OHPMFSUJZCUNPZ-MRXNPFEDSA-N 0 3 327.428 4.009 20 30 EIEDHN CC(=O)c1ccc(C#N)cc1NC[C@H](c1ccccc1)N1CCCC1 ZINC000302095354 1056016752 /nfs/dbraw/zinc/01/67/52/1056016752.db2.gz IUDLIMWNABZRPR-OAQYLSRUSA-N 0 3 333.435 4.010 20 30 EIEDHN C=CCc1cc(CNCc2ccc3cnccc3c2)cc(OC)c1OC ZINC000785450542 1056089926 /nfs/dbraw/zinc/08/99/26/1056089926.db2.gz BEOHRBGWVNRUDC-UHFFFAOYSA-N 0 3 348.446 4.270 20 30 EIEDHN CN(CCC#N)c1ccc(CN[C@@H]2CSCc3ccccc32)cc1 ZINC000742725184 1058740735 /nfs/dbraw/zinc/74/07/35/1058740735.db2.gz IUTNXTIQNVIAHC-HXUWFJFHSA-N 0 3 337.492 4.114 20 30 EIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743261773 1058906029 /nfs/dbraw/zinc/90/60/29/1058906029.db2.gz KGBDAMFOEDOQMY-NRFANRHFSA-N 0 3 325.452 4.034 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2ccco2)cc1 ZINC000744030087 1059218119 /nfs/dbraw/zinc/21/81/19/1059218119.db2.gz ZHSRDYXTGXOVIK-YOEHRIQHSA-N 0 3 338.407 4.073 20 30 EIEDHN N#CC(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc2ccccc2n1 ZINC000744015055 1059222509 /nfs/dbraw/zinc/22/25/09/1059222509.db2.gz FERNQLRRLFGZBS-PVAVHDDUSA-N 0 3 348.352 4.493 20 30 EIEDHN N#CCSCCCN1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000745942764 1059918463 /nfs/dbraw/zinc/91/84/63/1059918463.db2.gz RGTSHELWMGLLDG-HNNXBMFYSA-N 0 3 328.403 4.489 20 30 EIEDHN CCN(CCc1cccs1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746070780 1060007359 /nfs/dbraw/zinc/00/73/59/1060007359.db2.gz ZFXPYHCNONEONE-UHFFFAOYSA-N 0 3 336.464 4.005 20 30 EIEDHN C#C[C@H](N[C@H](C)CCc1cccnc1)c1ccc(Br)cc1 ZINC001205991010 1060272187 /nfs/dbraw/zinc/27/21/87/1060272187.db2.gz ZWDPAVJUVMNINQ-KDOFPFPSSA-N 0 3 343.268 4.129 20 30 EIEDHN C#Cc1ccc(NC(=O)CCN[C@@H](C)c2oc3ccccc3c2C)cc1 ZINC001168982911 1060552730 /nfs/dbraw/zinc/55/27/30/1060552730.db2.gz UJZMYSCELLHMHD-INIZCTEOSA-N 0 3 346.430 4.402 20 30 EIEDHN COC(=O)c1cccc(CN[C@H]2CCC[C@@H]2CCC(C)C)c1C#N ZINC001169364225 1060780730 /nfs/dbraw/zinc/78/07/30/1060780730.db2.gz CNXJGRNMIWOGNI-BEFAXECRSA-N 0 3 328.456 4.039 20 30 EIEDHN CC1(C)CCc2ccccc2[C@H](NCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001169667745 1060892907 /nfs/dbraw/zinc/89/29/07/1060892907.db2.gz WGINWUSVGYVMBR-HXUWFJFHSA-N 0 3 347.462 4.190 20 30 EIEDHN CN(CCC#N)c1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000195252386 1032215880 /nfs/dbraw/zinc/21/58/80/1032215880.db2.gz QORGCQRFTBIJKO-FCHUYYIVSA-N 0 3 349.478 4.046 20 30 EIEDHN C[C@H](CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000532941975 1032404964 /nfs/dbraw/zinc/40/49/64/1032404964.db2.gz PGFUHMSXHBDBJM-MOPGFXCFSA-N 0 3 349.478 4.057 20 30 EIEDHN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(O[C@H](C)C#N)cc1)CCC2 ZINC000245749890 1032459344 /nfs/dbraw/zinc/45/93/44/1032459344.db2.gz NOSRDWFKAONKPL-FZKQIMNGSA-N 0 3 341.480 4.252 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 ZINC000178882098 1032541386 /nfs/dbraw/zinc/54/13/86/1032541386.db2.gz QASACWXQFPYLAW-UHFFFAOYSA-N 0 3 342.270 4.074 20 30 EIEDHN CCN(CC)[C@H](CNc1c(F)cc(C#N)cc1F)c1ccsc1 ZINC000500544742 1032626399 /nfs/dbraw/zinc/62/63/99/1032626399.db2.gz NNVSEXOQSLFBSF-MRXNPFEDSA-N 0 3 335.423 4.393 20 30 EIEDHN Cc1cc(CNCc2ccc(CC#N)cc2)sc1Br ZINC000575922043 1032689458 /nfs/dbraw/zinc/68/94/58/1032689458.db2.gz AFGZBMFEFIQCRF-UHFFFAOYSA-N 0 3 335.270 4.175 20 30 EIEDHN Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(C#N)s2)cc1F ZINC000134814074 1020021568 /nfs/dbraw/zinc/02/15/68/1020021568.db2.gz MSIRGNJEVKUGOJ-GFCCVEGCSA-N 0 3 340.427 4.104 20 30 EIEDHN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCCCCC#N ZINC000237813239 1032885057 /nfs/dbraw/zinc/88/50/57/1032885057.db2.gz DRNYPQJKXAKDSI-UHFFFAOYSA-N 0 3 337.254 4.271 20 30 EIEDHN C=CCCCCCCN1CCC(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001209438597 1020335533 /nfs/dbraw/zinc/33/55/33/1020335533.db2.gz OVMAASBHUUFQCW-UHFFFAOYSA-N 0 3 349.540 4.406 20 30 EIEDHN C=CCCCCCCCN1Cc2cn(CC)nc2[C@H](COCC)C1 ZINC001209439585 1020345447 /nfs/dbraw/zinc/34/54/47/1020345447.db2.gz TXZCUENVBGYZEF-IBGZPJMESA-N 0 3 333.520 4.365 20 30 EIEDHN CC[C@@H](NCC#Cc1ccccc1Cl)c1ccc(OC)c(OC)c1 ZINC000510242537 1020573702 /nfs/dbraw/zinc/57/37/02/1020573702.db2.gz MNMHPOPPDVAVSB-GOSISDBHSA-N 0 3 343.854 4.450 20 30 EIEDHN N#Cc1ccc(F)c(CN[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c1 ZINC000580056601 1021579104 /nfs/dbraw/zinc/57/91/04/1021579104.db2.gz VLHRHPHZLSYAMI-RBUKOAKNSA-N 0 3 346.352 4.065 20 30 EIEDHN C#CCN1CCC(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1 ZINC000050028980 1021760221 /nfs/dbraw/zinc/76/02/21/1021760221.db2.gz JNNGHICWDIHHOG-UHFFFAOYSA-N 0 3 342.508 4.005 20 30 EIEDHN CN(C)[C@H](CNc1cccc(C(F)F)c1C#N)c1ccc(F)cc1 ZINC000581221971 1021838118 /nfs/dbraw/zinc/83/81/18/1021838118.db2.gz ZDSIKNKJMJHQMA-QGZVFWFLSA-N 0 3 333.357 4.350 20 30 EIEDHN C=CCC[C@@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccco1 ZINC000683889973 1021879178 /nfs/dbraw/zinc/87/91/78/1021879178.db2.gz BTXLVGPOLLNGDS-NVXWUHKLSA-N 0 3 332.394 4.434 20 30 EIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414152674 1021984207 /nfs/dbraw/zinc/98/42/07/1021984207.db2.gz QPGFKKBGMWZJAR-LESCRADOSA-N 0 3 328.481 4.442 20 30 EIEDHN C[C@@H](NC[C@]1(C)OCCc2sccc21)c1ccc(C#N)cc1Cl ZINC000580501954 1022121053 /nfs/dbraw/zinc/12/10/53/1022121053.db2.gz WOWDQZDWDFPTIN-XIKOKIGWSA-N 0 3 346.883 4.412 20 30 EIEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000472562679 1022257607 /nfs/dbraw/zinc/25/76/07/1022257607.db2.gz IWMAXBNOTAQASZ-LPHOPBHVSA-N 0 3 327.472 4.081 20 30 EIEDHN N#CCC1(CNCc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000580692007 1022383818 /nfs/dbraw/zinc/38/38/18/1022383818.db2.gz LXSNUNWRXOJULL-UHFFFAOYSA-N 0 3 334.467 4.009 20 30 EIEDHN C=C(C)CN(CCc1ccc(F)c(F)c1)Cc1cnn(C(C)C)c1 ZINC000512542224 1033063860 /nfs/dbraw/zinc/06/38/60/1033063860.db2.gz MFWVJHDAKFIAOU-UHFFFAOYSA-N 0 3 333.426 4.363 20 30 EIEDHN N#CC1(c2ccc(-n3nc(CN)c4ccccc43)cc2)CCCCC1 ZINC001167698047 1022684163 /nfs/dbraw/zinc/68/41/63/1022684163.db2.gz LFMLALCVENECJB-UHFFFAOYSA-N 0 3 330.435 4.210 20 30 EIEDHN COc1ccc(CN[C@@H]2CCc3ccccc32)cc1OCCCC#N ZINC000064613770 1022823637 /nfs/dbraw/zinc/82/36/37/1022823637.db2.gz XVZVOVCTOCANPF-LJQANCHMSA-N 0 3 336.435 4.155 20 30 EIEDHN C[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(C#N)cc1)CC1CCC1 ZINC001167452365 1022930816 /nfs/dbraw/zinc/93/08/16/1022930816.db2.gz BJEHOENCDFCJSC-KRWDZBQOSA-N 0 3 347.462 4.360 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(C(C)(C)C)s1 ZINC000121304517 1023094598 /nfs/dbraw/zinc/09/45/98/1023094598.db2.gz HEYSXMMUPPGCSY-LBPRGKRZSA-N 0 3 337.448 4.422 20 30 EIEDHN COc1ncc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1Cl ZINC000417374737 1023287558 /nfs/dbraw/zinc/28/75/58/1023287558.db2.gz YNQQURBDPLXFHN-KZULUSFZSA-N 0 3 341.842 4.343 20 30 EIEDHN COc1ccc2c(c1F)CC[C@H]2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417370789 1023292500 /nfs/dbraw/zinc/29/25/00/1023292500.db2.gz SUECNLFRDITXBQ-RTBURBONSA-N 0 3 336.410 4.360 20 30 EIEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000376957033 1023341387 /nfs/dbraw/zinc/34/13/87/1023341387.db2.gz UVTIQAWOVSZEIF-LESCRADOSA-N 0 3 334.891 4.051 20 30 EIEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000341225995 1023399923 /nfs/dbraw/zinc/39/99/23/1023399923.db2.gz VERWFQBAFFFUCE-DOTOQJQBSA-N 0 3 347.890 4.097 20 30 EIEDHN C=CCCOCCN[C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000090883799 1023611448 /nfs/dbraw/zinc/61/14/48/1023611448.db2.gz QXFGCYOOAKRFQP-HNNXBMFYSA-N 0 3 330.497 4.286 20 30 EIEDHN CC(C)CC[C@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000472827190 1023669690 /nfs/dbraw/zinc/66/96/90/1023669690.db2.gz RFTOLCRUWNGXEF-GOSISDBHSA-N 0 3 338.455 4.399 20 30 EIEDHN N#Cc1ccc(OCCN[C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000341584254 1023891311 /nfs/dbraw/zinc/89/13/11/1023891311.db2.gz IUVWURFJNNHWAG-QGZVFWFLSA-N 0 3 334.341 4.220 20 30 EIEDHN N#CCC1(CN[C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000430738860 1023995835 /nfs/dbraw/zinc/99/58/35/1023995835.db2.gz GMDAUBXOIMZNQD-CQSZACIVSA-N 0 3 339.664 4.373 20 30 EIEDHN CC[C@@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(C)cc1 ZINC000181705938 1024009355 /nfs/dbraw/zinc/00/93/55/1024009355.db2.gz QKYCCDMABOPXBI-RDTXWAMCSA-N 0 3 339.439 4.144 20 30 EIEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000661118144 1024243600 /nfs/dbraw/zinc/24/36/00/1024243600.db2.gz WZJGDHGQVCUVQB-GXTWGEPZSA-N 0 3 343.496 4.110 20 30 EIEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000661116707 1024247611 /nfs/dbraw/zinc/24/76/11/1024247611.db2.gz ZGHLSJMQLFZIQO-UONOGXRCSA-N 0 3 331.485 4.238 20 30 EIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000661117089 1024252176 /nfs/dbraw/zinc/25/21/76/1024252176.db2.gz OAQAMXKEEIBIIX-WFASDCNBSA-N 0 3 331.847 4.213 20 30 EIEDHN N#Cc1ccccc1COc1cccc(CNCc2ccsc2)c1 ZINC000066905305 1024387087 /nfs/dbraw/zinc/38/70/87/1024387087.db2.gz DMDCGGGAPUNZMM-UHFFFAOYSA-N 0 3 334.444 4.489 20 30 EIEDHN COc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000341758518 1024616350 /nfs/dbraw/zinc/61/63/50/1024616350.db2.gz QMUVNRNKKRTLOP-XOBRGWDASA-N 0 3 336.435 4.304 20 30 EIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000341762369 1024628408 /nfs/dbraw/zinc/62/84/08/1024628408.db2.gz URVZTDNVYJNFIX-AUUYWEPGSA-N 0 3 334.419 4.058 20 30 EIEDHN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1Cl ZINC000341883078 1024863876 /nfs/dbraw/zinc/86/38/76/1024863876.db2.gz UMNDSTAPAVSZTK-SFHVURJKSA-N 0 3 326.827 4.387 20 30 EIEDHN N#CCN1CCC(N[C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000610813094 1025032015 /nfs/dbraw/zinc/03/20/15/1025032015.db2.gz ZLOUKGURQWTMQP-GFCCVEGCSA-N 0 3 344.311 4.010 20 30 EIEDHN C=C(C)CN(C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000181050054 1025067617 /nfs/dbraw/zinc/06/76/17/1025067617.db2.gz IFXOIGUQFAZHJG-UHFFFAOYSA-N 0 3 332.451 4.001 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCc2ccc(C)cc2)cc1 ZINC000105263047 1025290327 /nfs/dbraw/zinc/29/03/27/1025290327.db2.gz SUJASINMBRDXMB-FQEVSTJZSA-N 0 3 348.446 4.228 20 30 EIEDHN N#Cc1cc(CN(Cc2ccccc2)CC2CCOCC2)cs1 ZINC000892022414 1025418300 /nfs/dbraw/zinc/41/83/00/1025418300.db2.gz YADGTSIZHUVOFM-UHFFFAOYSA-N 0 3 326.465 4.049 20 30 EIEDHN CN(CCOc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000215889331 1025861313 /nfs/dbraw/zinc/86/13/13/1025861313.db2.gz DZPNTEQZEGTGEI-UHFFFAOYSA-N 0 3 334.341 4.088 20 30 EIEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCCC(C)(C)CC2)cc1 ZINC001167529942 1025950535 /nfs/dbraw/zinc/95/05/35/1025950535.db2.gz WVCHAIQHVQNCTE-SFHVURJKSA-N 0 3 341.499 4.142 20 30 EIEDHN C=C(C)[C@H](NCc1cc(C)cc(OC)c1O)c1ccc(F)c(F)c1 ZINC000894487893 1026040148 /nfs/dbraw/zinc/04/01/48/1026040148.db2.gz NLPFMAZZOGZXRN-SFHVURJKSA-N 0 3 333.378 4.394 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](CCO)c2ccccc2)cc1Cl ZINC000344434405 1026392682 /nfs/dbraw/zinc/39/26/82/1026392682.db2.gz BVPREIYFQGUIMV-SFHVURJKSA-N 0 3 331.843 4.118 20 30 EIEDHN CC[C@H](C)CN(CC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167562430 1026429270 /nfs/dbraw/zinc/42/92/70/1026429270.db2.gz LAUAXJBHINZNSR-HNNXBMFYSA-N 0 3 349.906 4.263 20 30 EIEDHN CN(CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCCCC1 ZINC000096994765 1026618342 /nfs/dbraw/zinc/61/83/42/1026618342.db2.gz NLEGBMJFTPHETP-UHFFFAOYSA-N 0 3 337.467 4.392 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2CC(C)C)c1 ZINC000500461293 1026770322 /nfs/dbraw/zinc/77/03/22/1026770322.db2.gz WPAUBDLOSOPGBE-LJQANCHMSA-N 0 3 341.499 4.061 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(SCC)cc1 ZINC000507508335 1026821367 /nfs/dbraw/zinc/82/13/67/1026821367.db2.gz IVRGHEQGMIGDCK-HOTGVXAUSA-N 0 3 334.529 4.262 20 30 EIEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(SCC)cc1 ZINC000507509383 1026821611 /nfs/dbraw/zinc/82/16/11/1026821611.db2.gz KYQMHDUQCFCYID-JKSUJKDBSA-N 0 3 332.513 4.038 20 30 EIEDHN Cc1c2ccccc2oc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000115620206 1026883959 /nfs/dbraw/zinc/88/39/59/1026883959.db2.gz NHVKFHYEMUDKKJ-UHFFFAOYSA-N 0 3 333.435 4.381 20 30 EIEDHN COc1ccc([C@H]2CCCN2Cc2ccc(CC#N)cc2)cc1OC ZINC000342763642 1026966705 /nfs/dbraw/zinc/96/67/05/1026966705.db2.gz CSRCMANFVYGBCO-LJQANCHMSA-N 0 3 336.435 4.107 20 30 EIEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472245769 1026998423 /nfs/dbraw/zinc/99/84/23/1026998423.db2.gz ZYJTYMIJLFAQIX-UWVAXJGDSA-N 0 3 349.478 4.391 20 30 EIEDHN CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000329187010 1027635403 /nfs/dbraw/zinc/63/54/03/1027635403.db2.gz QTXCFXPWLOYAGG-SJLPKXTDSA-N 0 3 340.471 4.068 20 30 EIEDHN CC(=O)Nc1c[nH]nc1[C@H]1CCCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000329367557 1027752477 /nfs/dbraw/zinc/75/24/77/1027752477.db2.gz HMAONXMPAFVGMX-KBXCAEBGSA-N 0 3 342.418 4.024 20 30 EIEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000474929415 1027797862 /nfs/dbraw/zinc/79/78/62/1027797862.db2.gz JKFYFPXGAAZWOV-BXKDBHETSA-N 0 3 347.178 4.250 20 30 EIEDHN COc1c(CNC(=O)[C@@H]2CCCN2C2CCCC2)oc2ccccc21 ZINC000330006274 1028181472 /nfs/dbraw/zinc/18/14/72/1028181472.db2.gz DWYZXNZEBFDHGU-INIZCTEOSA-N 0 3 342.439 4.305 20 30 EIEDHN CC[C@H]1CCCCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000523559136 1028230009 /nfs/dbraw/zinc/23/00/09/1028230009.db2.gz HCMTWCPYQJEMLD-KRWDZBQOSA-N 0 3 347.890 4.241 20 30 EIEDHN CC[C@@H]1CCCCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000523559139 1028230866 /nfs/dbraw/zinc/23/08/66/1028230866.db2.gz HCMTWCPYQJEMLD-QGZVFWFLSA-N 0 3 347.890 4.241 20 30 EIEDHN CC[C@H](NCc1ccnc(N2CCCCC2)c1)c1ccc(C#N)cc1 ZINC000278194117 1028475835 /nfs/dbraw/zinc/47/58/35/1028475835.db2.gz FRBUQCARZOEIJP-FQEVSTJZSA-N 0 3 334.467 4.184 20 30 EIEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1ncc(-c2ccccc2)o1 ZINC000281256673 1028491584 /nfs/dbraw/zinc/49/15/84/1028491584.db2.gz HESALYFRTJWISL-MRXNPFEDSA-N 0 3 339.439 4.093 20 30 EIEDHN CC[C@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(C#N)cc1 ZINC000278215793 1028579035 /nfs/dbraw/zinc/57/90/35/1028579035.db2.gz IHVRSCSYVCZDMT-FQEVSTJZSA-N 0 3 334.467 4.184 20 30 EIEDHN CC[C@@H](NCc1ccnc(OCC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000278253699 1028731424 /nfs/dbraw/zinc/73/14/24/1028731424.db2.gz MWKKTQASQCZSFO-MRXNPFEDSA-N 0 3 349.356 4.135 20 30 EIEDHN COc1cc(CN[C@@H](C)c2cccc(OC(F)F)c2)ccc1C#N ZINC000281663146 1028827139 /nfs/dbraw/zinc/82/71/39/1028827139.db2.gz KYSBBVPRRCBUIK-LBPRGKRZSA-N 0 3 332.350 4.019 20 30 EIEDHN Cc1ccccc1CN1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000052406945 1028844762 /nfs/dbraw/zinc/84/47/62/1028844762.db2.gz LXJMHDPDMRTCHO-UHFFFAOYSA-N 0 3 346.887 4.053 20 30 EIEDHN COc1cc(CN[C@@H](C)c2ccc(OC(F)F)cc2)ccc1C#N ZINC000281772459 1028864920 /nfs/dbraw/zinc/86/49/20/1028864920.db2.gz SKHQMJMHFOXUKB-LBPRGKRZSA-N 0 3 332.350 4.019 20 30 EIEDHN N#Cc1ccsc1NC(=O)CCN1CCCCC[C@@H]1c1ccco1 ZINC000121228972 1028892035 /nfs/dbraw/zinc/89/20/35/1028892035.db2.gz CTCOEWOZCGCTGS-OAHLLOKOSA-N 0 3 343.452 4.159 20 30 EIEDHN COc1ccc(OC2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000522833357 1028982435 /nfs/dbraw/zinc/98/24/35/1028982435.db2.gz YPKOKMIPWREYSP-INIZCTEOSA-N 0 3 336.435 4.171 20 30 EIEDHN Cc1ccc([C@H](CNc2cc(Cl)ccc2C#N)N2CCCC2)o1 ZINC000522935065 1029108518 /nfs/dbraw/zinc/10/85/18/1029108518.db2.gz YGPWBHOSMPAKBY-KRWDZBQOSA-N 0 3 329.831 4.362 20 30 EIEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(OC(F)F)c1 ZINC000192975036 1029654461 /nfs/dbraw/zinc/65/44/61/1029654461.db2.gz LBCGNSKMSALALQ-CYBMUJFWSA-N 0 3 332.350 4.041 20 30 EIEDHN CC(C)(C#N)c1ccccc1CN[C@@H](c1ccccc1)C(C)(C)CO ZINC000429702888 1029702602 /nfs/dbraw/zinc/70/26/02/1029702602.db2.gz OYOMOJQFHRRRIM-FQEVSTJZSA-N 0 3 336.479 4.337 20 30 EIEDHN Cc1nccn1-c1ccc([C@H](C)NCC#Cc2ccc(F)cc2)cc1 ZINC000183687483 1030017966 /nfs/dbraw/zinc/01/79/66/1030017966.db2.gz SMQTVZNHNFNVIS-INIZCTEOSA-N 0 3 333.410 4.022 20 30 EIEDHN CCN(Cc1ccc(C(=O)OC)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000089103752 1030106731 /nfs/dbraw/zinc/10/67/31/1030106731.db2.gz NNRKFAWFSHHNEK-AWEZNQCLSA-N 0 3 340.398 4.067 20 30 EIEDHN C=C(C)CN(CCCc1cc(CC)no1)Cc1cnn(C(C)C)c1 ZINC000450982707 1030162505 /nfs/dbraw/zinc/16/25/05/1030162505.db2.gz MVHMRZWTXHTNKZ-UHFFFAOYSA-N 0 3 330.476 4.025 20 30 EIEDHN C=C(C)C[C@@H](C)C(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 ZINC000185774479 1030222173 /nfs/dbraw/zinc/22/21/73/1030222173.db2.gz OLMGSJNOBQSVRS-MRXNPFEDSA-N 0 3 346.540 4.438 20 30 EIEDHN C[C@@H](N[C@H]1CCCc2nn(-c3ccccc3)cc21)c1ccc(C#N)cc1 ZINC000530321396 1030312547 /nfs/dbraw/zinc/31/25/47/1030312547.db2.gz NKNZIOOBQBNYIJ-IERDGZPVSA-N 0 3 342.446 4.472 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000526942315 1030358029 /nfs/dbraw/zinc/35/80/29/1030358029.db2.gz JCSVHEBTFJEMMI-NVXWUHKLSA-N 0 3 328.456 4.063 20 30 EIEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000451331212 1030408408 /nfs/dbraw/zinc/40/84/08/1030408408.db2.gz NMIGTJXJYWFAGJ-LJQANCHMSA-N 0 3 342.870 4.307 20 30 EIEDHN N#Cc1ccc(CNCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)o1 ZINC000191100487 1030730115 /nfs/dbraw/zinc/73/01/15/1030730115.db2.gz JNMLPHJJIWKNKR-UHFFFAOYSA-N 0 3 338.304 4.131 20 30 EIEDHN N#CCCCOc1cccc(CN2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000122265351 1030749159 /nfs/dbraw/zinc/74/91/59/1030749159.db2.gz YGWXWJOOLHPWSE-UHFFFAOYSA-N 0 3 348.446 4.364 20 30 EIEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(OCc2cccnc2)cc1 ZINC000530879521 1030781396 /nfs/dbraw/zinc/78/13/96/1030781396.db2.gz XJBZDABXJYKSGA-HNNXBMFYSA-N 0 3 349.459 4.445 20 30 EIEDHN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(C#N)ccc1F ZINC000103474952 1030899466 /nfs/dbraw/zinc/89/94/66/1030899466.db2.gz IXJXFGGDHKMTTD-UHFFFAOYSA-N 0 3 348.425 4.152 20 30 EIEDHN CCCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OCC ZINC000041521246 1031499231 /nfs/dbraw/zinc/49/92/31/1031499231.db2.gz WHKTUJYTVBJXQD-CQSZACIVSA-N 0 3 344.436 4.129 20 30 EIEDHN N#Cc1ccc(CN[C@@H](C[C@H]2CCCO2)c2ccc(F)cc2)cc1F ZINC000453359568 1031889508 /nfs/dbraw/zinc/88/95/08/1031889508.db2.gz ALZHAANGEMKLBY-QUCCMNQESA-N 0 3 342.389 4.236 20 30 EIEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000528924546 1031951318 /nfs/dbraw/zinc/95/13/18/1031951318.db2.gz OHXSSHLKHGYEEY-YGMDGNCASA-N 0 3 348.855 4.185 20 30 EIEDHN CC(C)(C)OC(=O)C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614166509 1033550366 /nfs/dbraw/zinc/55/03/66/1033550366.db2.gz MYVGOCJNJGDGHI-UHFFFAOYSA-N 0 3 342.483 4.041 20 30 EIEDHN N#CCCC[C@@H](NCC(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000433011546 1033636586 /nfs/dbraw/zinc/63/65/86/1033636586.db2.gz GLFJOPCQBQPOIZ-HXUWFJFHSA-N 0 3 339.483 4.018 20 30 EIEDHN CCN(Cc1ccccc1)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433019972 1033669426 /nfs/dbraw/zinc/66/94/26/1033669426.db2.gz LXKQVTZNQDEGKZ-OAQYLSRUSA-N 0 3 349.478 4.060 20 30 EIEDHN C(=NNCCCOc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000729147905 1034728345 /nfs/dbraw/zinc/72/83/45/1034728345.db2.gz OBXHJJKKSHRVST-UHFFFAOYSA-N 0 3 337.467 4.070 20 30 EIEDHN Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(CN(C)C)c1 ZINC000280118431 1035157612 /nfs/dbraw/zinc/15/76/12/1035157612.db2.gz LRTHGLBDWULGCA-UHFFFAOYSA-N 0 3 335.451 4.110 20 30 EIEDHN COc1cc(C#N)ccc1CN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000501260888 1035407934 /nfs/dbraw/zinc/40/79/34/1035407934.db2.gz YGQVBVGNSXPZIA-UHFFFAOYSA-N 0 3 345.446 4.428 20 30 EIEDHN N#Cc1cccc(C2(NCc3ccc(Cl)cc3)CCOCC2)c1 ZINC000594985094 1035519653 /nfs/dbraw/zinc/51/96/53/1035519653.db2.gz WEJCULROYDSVFI-UHFFFAOYSA-N 0 3 326.827 4.007 20 30 EIEDHN CC(C)[C@H](O)[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594988711 1035520158 /nfs/dbraw/zinc/52/01/58/1035520158.db2.gz BVZORDGWFHMMDN-SFTDATJTSA-N 0 3 336.479 4.336 20 30 EIEDHN CC(C)[C@H](O)[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594990404 1035521694 /nfs/dbraw/zinc/52/16/94/1035521694.db2.gz PYTJPXZBCNYBJX-SFTDATJTSA-N 0 3 334.463 4.090 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CC)c(Cl)c2)CC1 ZINC000490869155 1035701909 /nfs/dbraw/zinc/70/19/09/1035701909.db2.gz JMTWRXKFGXNLKQ-UHFFFAOYSA-N 0 3 335.879 4.064 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN[C@@H]3CCCC34CCCCC4)o2)c1 ZINC000595606228 1035746317 /nfs/dbraw/zinc/74/63/17/1035746317.db2.gz VLJSYGFCEMMBJR-QGZVFWFLSA-N 0 3 336.439 4.201 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN3CCCC4(CCCC4)CC3)o2)c1 ZINC000595643283 1035754673 /nfs/dbraw/zinc/75/46/73/1035754673.db2.gz WZGYCKAAPCHBQU-UHFFFAOYSA-N 0 3 336.439 4.155 20 30 EIEDHN N#Cc1ccc(CN2CCC3(C=Cc4ccccc4O3)CC2)cc1F ZINC000595879898 1035802248 /nfs/dbraw/zinc/80/22/48/1035802248.db2.gz WOKKHCAIVXJWJA-UHFFFAOYSA-N 0 3 334.394 4.138 20 30 EIEDHN N#Cc1cccc(-c2nnc(CN3CCCC[C@H]3CC3CCC3)o2)c1 ZINC000595870691 1035805275 /nfs/dbraw/zinc/80/52/75/1035805275.db2.gz JJZDIKAFJRZAEG-SFHVURJKSA-N 0 3 336.439 4.153 20 30 EIEDHN C=CCOc1ccc(CN2CCC(c3ccnn3CCC)CC2)cc1 ZINC000502313322 1036092000 /nfs/dbraw/zinc/09/20/00/1036092000.db2.gz RVXBEDGHEGNKQF-UHFFFAOYSA-N 0 3 339.483 4.238 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](CCO)c1ccc(Cl)cc1 ZINC000588231691 1036306876 /nfs/dbraw/zinc/30/68/76/1036306876.db2.gz QRUNYUWLMGPUNT-WOJBJXKFSA-N 0 3 340.854 4.302 20 30 EIEDHN C=CC[C@@H](Cc1ccccc1)NCc1ncc(Br)s1 ZINC000414537555 1036581989 /nfs/dbraw/zinc/58/19/89/1036581989.db2.gz PIEYFLXKRFTQJG-ZDUSSCGKSA-N 0 3 337.286 4.183 20 30 EIEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cc(Cl)cc(Cl)c1 ZINC000602704859 1036582723 /nfs/dbraw/zinc/58/27/23/1036582723.db2.gz HDZQMNWUTMHONP-GFCCVEGCSA-N 0 3 327.255 4.182 20 30 EIEDHN COc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1Br ZINC000035018989 1036648250 /nfs/dbraw/zinc/64/82/50/1036648250.db2.gz JWOBJAOLXKCEMV-LBPRGKRZSA-N 0 3 345.240 4.180 20 30 EIEDHN N#Cc1ccc(C2CCN(Cc3cccc(C(F)F)c3)CC2)nc1 ZINC000602906354 1036659565 /nfs/dbraw/zinc/65/95/65/1036659565.db2.gz GDTIJSQHYIFASP-UHFFFAOYSA-N 0 3 327.378 4.270 20 30 EIEDHN CC(=O)N1CC[C@@H](NC2(c3ccc(C#N)cc3)CCC2)c2ccccc21 ZINC000598679735 1036746451 /nfs/dbraw/zinc/74/64/51/1036746451.db2.gz LVTPSCLMKFKLNI-HXUWFJFHSA-N 0 3 345.446 4.025 20 30 EIEDHN N#Cc1ccc(CN[C@H](C[C@H]2CCOC2)c2ccc(F)cc2)s1 ZINC000421879449 1036830798 /nfs/dbraw/zinc/83/07/98/1036830798.db2.gz NEUSZBRFIZOJPC-FZKQIMNGSA-N 0 3 330.428 4.016 20 30 EIEDHN Cc1ccc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C#N ZINC000599351085 1036966611 /nfs/dbraw/zinc/96/66/11/1036966611.db2.gz XABSCTNYYIOYBR-OAHLLOKOSA-N 0 3 333.435 4.066 20 30 EIEDHN N#CC1(C[C@@H](O)CN[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000599420358 1036995103 /nfs/dbraw/zinc/99/51/03/1036995103.db2.gz FIEVLLFVABXGBV-MLGOLLRUSA-N 0 3 339.266 4.089 20 30 EIEDHN CCCCN(CC(=O)NC1(C#N)CCCCC1)[C@H](C)c1ccccc1 ZINC000604503348 1037414010 /nfs/dbraw/zinc/41/40/10/1037414010.db2.gz DPZYBPPRFUVTAS-GOSISDBHSA-N 0 3 341.499 4.192 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000171776370 1037649737 /nfs/dbraw/zinc/64/97/37/1037649737.db2.gz ITANNDDLRPIFNR-WMZOPIPTSA-N 0 3 343.430 4.260 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCCc2ccccc21 ZINC000171776382 1037650088 /nfs/dbraw/zinc/65/00/88/1037650088.db2.gz ITANNDDLRPIFNR-SJLPKXTDSA-N 0 3 343.430 4.260 20 30 EIEDHN Cc1cc(F)ccc1CN(C)Cc1cccc(OCCCC#N)c1 ZINC000488570749 1037669651 /nfs/dbraw/zinc/66/96/51/1037669651.db2.gz DZESQBRXHIQWDH-UHFFFAOYSA-N 0 3 326.415 4.449 20 30 EIEDHN N#Cc1cnccc1CN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000592113685 1037735891 /nfs/dbraw/zinc/73/58/91/1037735891.db2.gz HCJKEKTVIPZUGH-AEFFLSMTSA-N 0 3 345.368 4.398 20 30 EIEDHN N#CCCC1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000592135582 1037740958 /nfs/dbraw/zinc/74/09/58/1037740958.db2.gz RDJFUFCXSPAGFJ-UHFFFAOYSA-N 0 3 347.462 4.455 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000592303766 1037773831 /nfs/dbraw/zinc/77/38/31/1037773831.db2.gz OIOVBFBIAFULHL-SFHVURJKSA-N 0 3 349.906 4.131 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)C(CC)CC)CC1 ZINC000592494496 1037820335 /nfs/dbraw/zinc/82/03/35/1037820335.db2.gz XVGYYTYZPBHROJ-FQEVSTJZSA-N 0 3 343.515 4.114 20 30 EIEDHN C=CCN1CCC(NC(=O)N(CCCC)[C@@H](C)c2ccc(C)o2)CC1 ZINC000592526147 1037825996 /nfs/dbraw/zinc/82/59/96/1037825996.db2.gz VLBBSJKYCNSVDX-KRWDZBQOSA-N 0 3 347.503 4.111 20 30 EIEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ccsc1 ZINC000058581584 1037872602 /nfs/dbraw/zinc/87/26/02/1037872602.db2.gz MJPZXOLDMKPTMG-MOPGFXCFSA-N 0 3 343.492 4.053 20 30 EIEDHN C=CC[C@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000489679598 1038206834 /nfs/dbraw/zinc/20/68/34/1038206834.db2.gz MTWIIVNJYWCDRH-YADHBBJMSA-N 0 3 348.490 4.079 20 30 EIEDHN COc1ccc2c(c1)[C@H](NCc1ccc(CC#N)cc1)CCCS2 ZINC000574452377 1038251597 /nfs/dbraw/zinc/25/15/97/1038251597.db2.gz FOBMILIGSRBWCK-LJQANCHMSA-N 0 3 338.476 4.478 20 30 EIEDHN CC(C)Sc1c(Cl)cccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594428828 1038330382 /nfs/dbraw/zinc/33/03/82/1038330382.db2.gz NRMHHJRPKVJJMK-ZDUSSCGKSA-N 0 3 339.892 4.190 20 30 EIEDHN CC(C)(C)C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594434005 1038332509 /nfs/dbraw/zinc/33/25/09/1038332509.db2.gz WHVKGCPBMBGCTK-DLBZAZTESA-N 0 3 349.906 4.345 20 30 EIEDHN CCCN(C(=O)[C@H](N)CCCCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000594430720 1038334100 /nfs/dbraw/zinc/33/41/00/1038334100.db2.gz BMKBLGMCQWPMRN-NVXWUHKLSA-N 0 3 341.455 4.144 20 30 EIEDHN CC(C)c1ccc([C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C)cc1 ZINC000594426767 1038339831 /nfs/dbraw/zinc/33/98/31/1038339831.db2.gz RWYGJRMNFLFXMB-OALUTQOASA-N 0 3 329.488 4.035 20 30 EIEDHN CC[C@H](C)c1ccc([C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C)cc1 ZINC000594425240 1038340125 /nfs/dbraw/zinc/34/01/25/1038340125.db2.gz GPPDVAUYEFAFEX-FFZOFVMBSA-N 0 3 343.515 4.425 20 30 EIEDHN N#CC1(c2ccc(CN[C@@H](c3ccccc3)[C@H]3CCCO3)cc2)CC1 ZINC000594916976 1038427069 /nfs/dbraw/zinc/42/70/69/1038427069.db2.gz DWNFJUSWBIACKX-RTWAWAEBSA-N 0 3 332.447 4.252 20 30 EIEDHN COc1ccc(CNCc2cc(C)cc(C)c2)cc1OCCCC#N ZINC000594974165 1038484467 /nfs/dbraw/zinc/48/44/67/1038484467.db2.gz UNPIRLRDQZWYSL-UHFFFAOYSA-N 0 3 338.451 4.284 20 30 EIEDHN COc1cc(CNC(C)(C)c2cccc(C#N)c2)ccc1SC ZINC000594970606 1038485421 /nfs/dbraw/zinc/48/54/21/1038485421.db2.gz ZQJGCQSFGLFYRN-UHFFFAOYSA-N 0 3 326.465 4.314 20 30 EIEDHN COc1cc(CNC(C)(C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000594967162 1038564231 /nfs/dbraw/zinc/56/42/31/1038564231.db2.gz NXMPTPYJNXKUGJ-UHFFFAOYSA-N 0 3 344.842 4.254 20 30 EIEDHN Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424111552 1038587419 /nfs/dbraw/zinc/58/74/19/1038587419.db2.gz HOARHRPMRAEECI-KRWDZBQOSA-N 0 3 345.512 4.380 20 30 EIEDHN CCCc1ccc(-c2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)cc1 ZINC000424122556 1038610558 /nfs/dbraw/zinc/61/05/58/1038610558.db2.gz HBHWDGBWIDVXBB-FQEVSTJZSA-N 0 3 335.451 4.266 20 30 EIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000424187813 1038730248 /nfs/dbraw/zinc/73/02/48/1038730248.db2.gz BLGCDOCRLHVQGI-SWLSCSKDSA-N 0 3 345.240 4.491 20 30 EIEDHN CSC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000424336666 1038811009 /nfs/dbraw/zinc/81/10/09/1038811009.db2.gz YDXMNSRSDNBUKX-NILFDRSVSA-N 0 3 328.403 4.391 20 30 EIEDHN C=CCCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000117879106 1038823625 /nfs/dbraw/zinc/82/36/25/1038823625.db2.gz MSZQRFOCFMHIOA-UHFFFAOYSA-N 0 3 328.378 4.321 20 30 EIEDHN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000174091512 1038840902 /nfs/dbraw/zinc/84/09/02/1038840902.db2.gz DJGZJCHKGLFHJA-DNVCBOLYSA-N 0 3 349.434 4.099 20 30 EIEDHN CCOc1c(F)cccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000608552756 1038848684 /nfs/dbraw/zinc/84/86/84/1038848684.db2.gz GDBSIBWTUXIXJQ-HNNXBMFYSA-N 0 3 334.350 4.263 20 30 EIEDHN CCCC(C)(C)N(CC(=O)N(CC)C[C@@H](C)C#N)Cc1cccs1 ZINC000555071066 1038856903 /nfs/dbraw/zinc/85/69/03/1038856903.db2.gz LAMCLXNIBZYXGM-INIZCTEOSA-N 0 3 349.544 4.137 20 30 EIEDHN C=CCOc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000552091495 1039118602 /nfs/dbraw/zinc/11/86/02/1039118602.db2.gz OVJAJAMBBNYWCB-FQEVSTJZSA-N 0 3 338.407 4.327 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1 ZINC000091681829 1039382619 /nfs/dbraw/zinc/38/26/19/1039382619.db2.gz UUNYFJYGLBJEDB-KRWDZBQOSA-N 0 3 336.435 4.021 20 30 EIEDHN N#CCCn1cc(CN2CCCC3(CC3)CC2)c(-c2ccccc2)n1 ZINC000600215789 1039389079 /nfs/dbraw/zinc/38/90/79/1039389079.db2.gz NQBQWKZUQFECQO-UHFFFAOYSA-N 0 3 334.467 4.230 20 30 EIEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC(C)C ZINC000514113549 1039628063 /nfs/dbraw/zinc/62/80/63/1039628063.db2.gz VLZCPTQYHLNDPK-UHFFFAOYSA-N 0 3 344.503 4.008 20 30 EIEDHN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(O[C@@H](C)C#N)cc1)CCC2 ZINC000093364964 1039669987 /nfs/dbraw/zinc/66/99/87/1039669987.db2.gz NOSRDWFKAONKPL-SCLBCKFNSA-N 0 3 341.480 4.252 20 30 EIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C)oc2C)cc1 ZINC000128585824 1039748070 /nfs/dbraw/zinc/74/80/70/1039748070.db2.gz CRZOIVUHHKTASJ-SFHVURJKSA-N 0 3 338.407 4.200 20 30 EIEDHN Cn1cccc1[C@H]1CCCCN1Cc1cccc(OCCCC#N)c1 ZINC000093845391 1039763460 /nfs/dbraw/zinc/76/34/60/1039763460.db2.gz VEFYSDKIMCJHCO-OAQYLSRUSA-N 0 3 337.467 4.435 20 30 EIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(OC(F)F)c(F)c1)CC2 ZINC000550894728 1039817093 /nfs/dbraw/zinc/81/70/93/1039817093.db2.gz GHUXTEGQEIQNED-MRXNPFEDSA-N 0 3 332.325 4.076 20 30 EIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(OC(F)F)c(F)c1)CC2 ZINC000550894727 1039817456 /nfs/dbraw/zinc/81/74/56/1039817456.db2.gz GHUXTEGQEIQNED-INIZCTEOSA-N 0 3 332.325 4.076 20 30 EIEDHN C=C[C@H](CC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000505586997 1039984066 /nfs/dbraw/zinc/98/40/66/1039984066.db2.gz KZOZPHPTORHBIB-HMFYCAOWSA-N 0 3 336.479 4.154 20 30 EIEDHN CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 ZINC000553315101 1040121452 /nfs/dbraw/zinc/12/14/52/1040121452.db2.gz PKGPNQUXUZEGTI-CYBMUJFWSA-N 0 3 342.468 4.000 20 30 EIEDHN C=C[C@@H](CC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000535340147 1040205287 /nfs/dbraw/zinc/20/52/87/1040205287.db2.gz JYDCQJSFRSOVJB-GHTZIAJQSA-N 0 3 336.479 4.074 20 30 EIEDHN Cc1c(Br)cccc1CNC1(c2cccc(C#N)c2)CC1 ZINC000551401655 1040270801 /nfs/dbraw/zinc/27/08/01/1040270801.db2.gz LXXJZAUPNGMPSQ-UHFFFAOYSA-N 0 3 341.252 4.408 20 30 EIEDHN N#Cc1ccc(CN2CCC(c3nc4c(s3)CCCC4)CC2)cc1 ZINC000425352002 1040303602 /nfs/dbraw/zinc/30/36/02/1040303602.db2.gz OERHBRIGOFZSMC-UHFFFAOYSA-N 0 3 337.492 4.273 20 30 EIEDHN Cc1ccccc1NC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000160081407 1040343741 /nfs/dbraw/zinc/34/37/41/1040343741.db2.gz ZZUIDMWDVOMYRG-HNNXBMFYSA-N 0 3 333.416 4.364 20 30 EIEDHN CC(C)(C#N)CCN[C@@H](COc1ccccc1F)c1ccccc1 ZINC000539614546 1040610153 /nfs/dbraw/zinc/61/01/53/1040610153.db2.gz VOZVIRFDPHBVHC-SFHVURJKSA-N 0 3 326.415 4.475 20 30 EIEDHN CC(C)(C#N)CCN[C@H](COc1ccccc1F)c1ccccc1 ZINC000539614542 1040610986 /nfs/dbraw/zinc/61/09/86/1040610986.db2.gz VOZVIRFDPHBVHC-GOSISDBHSA-N 0 3 326.415 4.475 20 30 EIEDHN N#CC(C(=O)c1ccccc1OC(F)F)c1nccc2ccccc21 ZINC000483198423 1040757183 /nfs/dbraw/zinc/75/71/83/1040757183.db2.gz MJULARUBBRFACJ-HNNXBMFYSA-N 0 3 338.313 4.326 20 30 EIEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000539972961 1040949663 /nfs/dbraw/zinc/94/96/63/1040949663.db2.gz CBOPXRUTQRORGF-QWHCGFSZSA-N 0 3 348.899 4.410 20 30 EIEDHN C=CCN(Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1CC1 ZINC000540055147 1041076598 /nfs/dbraw/zinc/07/65/98/1041076598.db2.gz LOADKWHDWRCLJW-UHFFFAOYSA-N 0 3 348.446 4.296 20 30 EIEDHN COc1ccccc1-c1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000480358301 1041238501 /nfs/dbraw/zinc/23/85/01/1041238501.db2.gz CSCOAPKFXNKQOG-MRXNPFEDSA-N 0 3 345.446 4.423 20 30 EIEDHN CC(C)(CCC#N)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000505908028 1041582575 /nfs/dbraw/zinc/58/25/75/1041582575.db2.gz SQYJUCDAPXHGAV-UHFFFAOYSA-N 0 3 339.405 4.157 20 30 EIEDHN C=CCOc1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 ZINC000516637306 1041679593 /nfs/dbraw/zinc/67/95/93/1041679593.db2.gz IFYBWMJRSVWNSE-HXUWFJFHSA-N 0 3 325.477 4.372 20 30 EIEDHN C=CCOc1ccc(CN[C@H]2CSCCc3ccccc32)cc1 ZINC000516637305 1041680067 /nfs/dbraw/zinc/68/00/67/1041680067.db2.gz IFYBWMJRSVWNSE-FQEVSTJZSA-N 0 3 325.477 4.372 20 30 EIEDHN C[C@H](CC(F)(F)F)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000463726409 1041722308 /nfs/dbraw/zinc/72/23/08/1041722308.db2.gz GWHOZGDZRURSKY-MRVPVSSYSA-N 0 3 333.247 4.197 20 30 EIEDHN C=CCOc1ccc(CN(Cc2cn(C)nc2C)C(C)(C)C)cc1 ZINC000506046366 1041794669 /nfs/dbraw/zinc/79/46/69/1041794669.db2.gz VRBRNVUIABHTSA-UHFFFAOYSA-N 0 3 327.472 4.094 20 30 EIEDHN C=CCOc1ccc(CN(Cc2cnn(CC)c2)C(C)(C)C)cc1 ZINC000506046296 1041794743 /nfs/dbraw/zinc/79/47/43/1041794743.db2.gz UIOINXVJWHPSBF-UHFFFAOYSA-N 0 3 327.472 4.269 20 30 EIEDHN C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]2CCCC[C@H]21 ZINC000541112082 1041819393 /nfs/dbraw/zinc/81/93/93/1041819393.db2.gz LMYCDFXGHKSGBB-FUHIMQAGSA-N 0 3 349.478 4.248 20 30 EIEDHN CC(C)C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cccs1 ZINC000541627648 1042045162 /nfs/dbraw/zinc/04/51/62/1042045162.db2.gz UPGWHYLXVSBZJG-WMLDXEAASA-N 0 3 341.480 4.324 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)NC2CCC(CCCC)CC2)CC1 ZINC000517998009 1042308066 /nfs/dbraw/zinc/30/80/66/1042308066.db2.gz UONKRFFMAYZFDK-UHFFFAOYSA-N 0 3 335.536 4.075 20 30 EIEDHN COc1cc(CN(C)Cc2ccc(CC#N)cc2)ccc1SC ZINC000542202586 1042332895 /nfs/dbraw/zinc/33/28/95/1042332895.db2.gz OVCSVRVQGBXCHZ-UHFFFAOYSA-N 0 3 326.465 4.115 20 30 EIEDHN CC(C)C(=O)Nc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271923887 1042521198 /nfs/dbraw/zinc/52/11/98/1042521198.db2.gz INBYCKKOBOZJMK-AWEZNQCLSA-N 0 3 339.414 4.143 20 30 EIEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)c1c(F)cccc1F ZINC000271978887 1042601749 /nfs/dbraw/zinc/60/17/49/1042601749.db2.gz WMHVAEXVYAXJLD-WOVYWWTOSA-N 0 3 348.368 4.138 20 30 EIEDHN Cc1nc2ccc(Br)cc2c(N2CCC(C#N)CC2)c1C ZINC000174708105 1042709082 /nfs/dbraw/zinc/70/90/82/1042709082.db2.gz LFMSASHWNCFMHP-UHFFFAOYSA-N 0 3 344.256 4.354 20 30 EIEDHN CC(C)N(CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCC1 ZINC000174842364 1042715354 /nfs/dbraw/zinc/71/53/54/1042715354.db2.gz JWCJHDUGXNWYKX-UHFFFAOYSA-N 0 3 337.467 4.391 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3cnccc3c2)s1 ZINC000518909485 1042748885 /nfs/dbraw/zinc/74/88/85/1042748885.db2.gz PCPKXFIOXDYELT-HNNXBMFYSA-N 0 3 335.432 4.479 20 30 EIEDHN Fc1ccc(C2(NCC#Cc3ccc(Cl)cc3)CCOCC2)cc1 ZINC000177152368 1042828815 /nfs/dbraw/zinc/82/88/15/1042828815.db2.gz ZHOQHNBNQKQRRS-UHFFFAOYSA-N 0 3 343.829 4.126 20 30 EIEDHN Fc1ccc(C2(NCC#Cc3cccc(Cl)c3)CCOCC2)cc1 ZINC000178853715 1042877802 /nfs/dbraw/zinc/87/78/02/1042877802.db2.gz FEWHWBZHUOWFQM-UHFFFAOYSA-N 0 3 343.829 4.126 20 30 EIEDHN C=CCc1cc(CNCc2cccc3cc[nH]c32)cc(OC)c1OC ZINC000237208446 1042953155 /nfs/dbraw/zinc/95/31/55/1042953155.db2.gz DNTJPSXSAKSVKJ-UHFFFAOYSA-N 0 3 336.435 4.203 20 30 EIEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCCc3nn(C)cc32)cc1 ZINC000282462467 1043151106 /nfs/dbraw/zinc/15/11/06/1043151106.db2.gz OPRBMWRLPNEABM-KDOFPFPSSA-N 0 3 345.874 4.280 20 30 EIEDHN C#CCOc1ccccc1CN[C@H](CCCOC)c1ccc(F)cc1 ZINC000282507696 1043322634 /nfs/dbraw/zinc/32/26/34/1043322634.db2.gz YPVJDAWRMCEGLP-HXUWFJFHSA-N 0 3 341.426 4.095 20 30 EIEDHN C=C(C)CN(CC)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000442006525 1043456475 /nfs/dbraw/zinc/45/64/75/1043456475.db2.gz WMRSRLXQZNHDOS-UHFFFAOYSA-N 0 3 346.272 4.304 20 30 EIEDHN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000499626472 1043497344 /nfs/dbraw/zinc/49/73/44/1043497344.db2.gz OUSLOAVFZXRPES-FZKQIMNGSA-N 0 3 348.368 4.189 20 30 EIEDHN CC(C)[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000010137114 1043731244 /nfs/dbraw/zinc/73/12/44/1043731244.db2.gz PKJPCCHDDVBCGD-IBGZPJMESA-N 0 3 341.842 4.137 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2cccc(OC(F)F)c2)cc1C#N ZINC000172688425 1043815779 /nfs/dbraw/zinc/81/57/79/1043815779.db2.gz IVTWJYKGLMNRBD-LBPRGKRZSA-N 0 3 332.350 4.019 20 30 EIEDHN CN(CCOCC(F)(F)C(F)F)Cc1ccc(C(F)(F)F)cc1 ZINC000682516480 1043824986 /nfs/dbraw/zinc/82/49/86/1043824986.db2.gz IWTAXYGCALUVLA-UHFFFAOYSA-N 0 3 347.274 4.054 20 30 EIEDHN CC1(C)C[C@H](NCc2ccc(CC#N)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000521873811 1044040573 /nfs/dbraw/zinc/04/05/73/1044040573.db2.gz PAFNIFNYVAYLQH-IBGZPJMESA-N 0 3 335.407 4.173 20 30 EIEDHN C#CCOc1ccc(CN[C@@H](C)c2cc3cccc(OC)c3o2)cc1 ZINC000733322708 1044182853 /nfs/dbraw/zinc/18/28/53/1044182853.db2.gz SGFRELQAYGTWJT-HNNXBMFYSA-N 0 3 335.403 4.304 20 30 EIEDHN N#Cc1ccc(C2=CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000347960604 1044341437 /nfs/dbraw/zinc/34/14/37/1044341437.db2.gz QESSFNQYIIJRTD-UHFFFAOYSA-N 0 3 340.430 4.033 20 30 EIEDHN C[C@@H](NC[C@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1Cl ZINC001168758352 1044365768 /nfs/dbraw/zinc/36/57/68/1044365768.db2.gz QDBGEBHMCVIUIU-BZNIZROVSA-N 0 3 335.234 4.249 20 30 EIEDHN C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)C1CCCCC1 ZINC000542531283 1044574767 /nfs/dbraw/zinc/57/47/67/1044574767.db2.gz LKZQAXKJHVNFGB-HUUCEWRRSA-N 0 3 338.455 4.303 20 30 EIEDHN C=CC[C@@H](CO)CN[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000495043128 1044612457 /nfs/dbraw/zinc/61/24/57/1044612457.db2.gz DFXGDEXOHBUBET-AUUYWEPGSA-N 0 3 333.834 4.343 20 30 EIEDHN C=CCN(CCc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735309887 1044797469 /nfs/dbraw/zinc/79/74/69/1044797469.db2.gz MUWAEZNKLYLUIV-UHFFFAOYSA-N 0 3 340.854 4.473 20 30 EIEDHN CC(C)(C#N)CCCCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800111 1044893943 /nfs/dbraw/zinc/89/39/43/1044893943.db2.gz ATYUHAFVIOMWJM-NRFANRHFSA-N 0 3 340.467 4.206 20 30 EIEDHN CCOc1cc(CNCc2ccc(C)c(C#N)c2)ccc1OC(F)F ZINC000922760881 1044931490 /nfs/dbraw/zinc/93/14/90/1044931490.db2.gz DMAHHPQLDOEGOB-UHFFFAOYSA-N 0 3 346.377 4.157 20 30 EIEDHN Cc1ccc(CN2CCSCC2)cc1NCc1ccc(C#N)s1 ZINC000125426054 1044998620 /nfs/dbraw/zinc/99/86/20/1044998620.db2.gz JTHGJAAKBSEBJG-UHFFFAOYSA-N 0 3 343.521 4.089 20 30 EIEDHN C=CC[C@H](N[C@H](C)c1ccc(OCCOC)cc1)c1ccncc1 ZINC000766018216 1045193134 /nfs/dbraw/zinc/19/31/34/1045193134.db2.gz GPBSMTFYHYYKQE-UZLBHIALSA-N 0 3 326.440 4.075 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)c2nc3cc(F)ccc3s2)c1C ZINC000611252129 1045265106 /nfs/dbraw/zinc/26/51/06/1045265106.db2.gz IBGNEZDPXSZIGD-ZDUSSCGKSA-N 0 3 339.395 4.298 20 30 EIEDHN Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1Br ZINC000611243615 1045267012 /nfs/dbraw/zinc/26/70/12/1045267012.db2.gz KSSJKEMBWXLGID-CYBMUJFWSA-N 0 3 329.241 4.480 20 30 EIEDHN N#Cc1cccc(OC2CCN(Cc3nccc4ccccc43)CC2)c1 ZINC000611261445 1045268603 /nfs/dbraw/zinc/26/86/03/1045268603.db2.gz JGXAPIBYDQXSCF-UHFFFAOYSA-N 0 3 343.430 4.150 20 30 EIEDHN CN(Cc1cccc(C#N)c1F)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611371290 1045290050 /nfs/dbraw/zinc/29/00/50/1045290050.db2.gz JEUCGCKNZYSTIX-TZIWHRDSSA-N 0 3 338.426 4.297 20 30 EIEDHN Cc1c(CN(C)Cc2ccc(C#N)cc2)sc2nc(C)nc(C)c12 ZINC000768262254 1045773876 /nfs/dbraw/zinc/77/38/76/1045773876.db2.gz IIEPJRFQNDMNEZ-UHFFFAOYSA-N 0 3 336.464 4.120 20 30 EIEDHN C#CCCOc1ccc(CN2CCC(OCCC(C)C)CC2)cc1 ZINC000768904193 1045856892 /nfs/dbraw/zinc/85/68/92/1045856892.db2.gz UMFWFLUDEGBAQZ-UHFFFAOYSA-N 0 3 329.484 4.116 20 30 EIEDHN N#CC(C(=O)CCCOc1ccccc1F)c1nccc2ccccc21 ZINC000792094818 1045862788 /nfs/dbraw/zinc/86/27/88/1045862788.db2.gz HECVRPRKTSCMBO-KRWDZBQOSA-N 0 3 348.377 4.409 20 30 EIEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 ZINC000067690904 1045984189 /nfs/dbraw/zinc/98/41/89/1045984189.db2.gz NPBVHNLFJLHSIB-QGZVFWFLSA-N 0 3 343.430 4.383 20 30 EIEDHN N#Cc1cccc(CNC2(c3ccc(Br)cc3)CCC2)c1 ZINC000067712360 1046007320 /nfs/dbraw/zinc/00/73/20/1046007320.db2.gz HDFHBISCOLUIMF-UHFFFAOYSA-N 0 3 341.252 4.490 20 30 EIEDHN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000792900635 1046097668 /nfs/dbraw/zinc/09/76/68/1046097668.db2.gz TYYFCXMMWWWNOG-CYBMUJFWSA-N 0 3 347.384 4.494 20 30 EIEDHN C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000792900654 1046098147 /nfs/dbraw/zinc/09/81/47/1046098147.db2.gz TYYFCXMMWWWNOG-ZDUSSCGKSA-N 0 3 347.384 4.494 20 30 EIEDHN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916930635 1046461977 /nfs/dbraw/zinc/46/19/77/1046461977.db2.gz FEWXTYIYYYPYHQ-VIFPVBQESA-N 0 3 349.164 4.076 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC(C)(F)F)cc1 ZINC000916948287 1046492509 /nfs/dbraw/zinc/49/25/09/1046492509.db2.gz FZVVFZNKLKWDSJ-WFASDCNBSA-N 0 3 336.382 4.283 20 30 EIEDHN C[C@@H](c1ccccc1)N1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000804465119 1046534051 /nfs/dbraw/zinc/53/40/51/1046534051.db2.gz DNZBLAPBSSGNMP-LBPRGKRZSA-N 0 3 346.887 4.306 20 30 EIEDHN C[C@]1(CCc2ccccc2)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000536697118 1046694888 /nfs/dbraw/zinc/69/48/88/1046694888.db2.gz JYRLHYMOEULTEY-QFIPXVFZSA-N 0 3 344.462 4.051 20 30 EIEDHN C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)c2ccccc21 ZINC000917116402 1046740357 /nfs/dbraw/zinc/74/03/57/1046740357.db2.gz PADPXANEDCDLHQ-DZGCQCFKSA-N 0 3 347.443 4.096 20 30 EIEDHN N#Cc1cnn2cc(CN[C@H](c3ccccc3)C3CCCCC3)cnc12 ZINC000917139729 1046772965 /nfs/dbraw/zinc/77/29/65/1046772965.db2.gz DFHYPLIFZUWXIG-HXUWFJFHSA-N 0 3 345.450 4.012 20 30 EIEDHN CC[C@H](CC#N)NC1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001170468117 1046801633 /nfs/dbraw/zinc/80/16/33/1046801633.db2.gz HAXLSVRZEYXLMZ-DJIMGWMZSA-N 0 3 337.508 4.225 20 30 EIEDHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCC(C)(C)CC#N ZINC000459661222 1046845846 /nfs/dbraw/zinc/84/58/46/1046845846.db2.gz AUKNDIZRNHSEOP-UHFFFAOYSA-N 0 3 330.863 4.172 20 30 EIEDHN CCCN(Cc1ccc(C#N)cc1)Cn1cnc2cc(F)c(F)cc21 ZINC000917458058 1046898230 /nfs/dbraw/zinc/89/82/30/1046898230.db2.gz QOINTGJADRYFHA-UHFFFAOYSA-N 0 3 340.377 4.056 20 30 EIEDHN Cc1ccccc1[C@H](NCC(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000537059576 1046908835 /nfs/dbraw/zinc/90/88/35/1046908835.db2.gz OPBVNWIAHIQXIJ-JOCHJYFZSA-N 0 3 349.478 4.229 20 30 EIEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000537114753 1046964923 /nfs/dbraw/zinc/96/49/23/1046964923.db2.gz GSFDLTJVANEJMA-CABCVRRESA-N 0 3 342.870 4.348 20 30 EIEDHN COc1ccc(CNCc2ccc(OCCC(C)C)cc2)cc1C#N ZINC000746740742 1047153127 /nfs/dbraw/zinc/15/31/27/1047153127.db2.gz HLGVPPLSXPPPDV-UHFFFAOYSA-N 0 3 338.451 4.282 20 30 EIEDHN C[C@@H](NCCOCc1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000537409133 1047202656 /nfs/dbraw/zinc/20/26/56/1047202656.db2.gz ZVZSCPATTSHYAE-CYBMUJFWSA-N 0 3 332.806 4.218 20 30 EIEDHN Cc1nn(C(C)C)c(C)c1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000897588684 1047319600 /nfs/dbraw/zinc/31/96/00/1047319600.db2.gz KNCSYMNFHCZIRE-UHFFFAOYSA-N 0 3 336.483 4.332 20 30 EIEDHN CC[C@H](Cc1ccc(C(F)(F)F)cc1)NCc1nc(C#N)cs1 ZINC000897628960 1047403917 /nfs/dbraw/zinc/40/39/17/1047403917.db2.gz DMOYYEYDLNIQST-CYBMUJFWSA-N 0 3 339.386 4.144 20 30 EIEDHN CN(C)[C@@H](C/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000746816229 1047428134 /nfs/dbraw/zinc/42/81/34/1047428134.db2.gz OOZQGHHHTJRPLL-UWSDUSPXSA-N 0 3 337.250 4.421 20 30 EIEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1cnn(CC2CCC2)c1 ZINC000898181425 1047577032 /nfs/dbraw/zinc/57/70/32/1047577032.db2.gz HFJODSRKRHFAIX-INIZCTEOSA-N 0 3 334.467 4.089 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2oc3c(cccc3Cl)c2C)CC1 ZINC000106038568 1047658474 /nfs/dbraw/zinc/65/84/74/1047658474.db2.gz CQPGNWDXQFKAAP-UHFFFAOYSA-N 0 3 346.858 4.165 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000106252980 1047670873 /nfs/dbraw/zinc/67/08/73/1047670873.db2.gz AJNQBEKBQWXINW-UHFFFAOYSA-N 0 3 342.270 4.155 20 30 EIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C1CCCCC1 ZINC000108355651 1047797673 /nfs/dbraw/zinc/79/76/73/1047797673.db2.gz HNEZDRROYZCHBK-OAHLLOKOSA-N 0 3 345.512 4.141 20 30 EIEDHN N=C(Nc1ccc(F)c(CN2CCCC2)c1)c1ccc2ccccc2n1 ZINC001171051141 1047847227 /nfs/dbraw/zinc/84/72/27/1047847227.db2.gz HJTOWLRVJGHWOF-UHFFFAOYSA-N 0 3 348.425 4.007 20 30 EIEDHN CC(=O)c1ccc([C@H](C)Nc2ccc(N=CN(C)C)c(C#N)c2)cc1 ZINC001171055281 1047866001 /nfs/dbraw/zinc/86/60/01/1047866001.db2.gz CUAQIFQPKAKQCZ-KOUDTOEKSA-N 0 3 334.423 4.155 20 30 EIEDHN CN1CCCC[C@H]1c1ccc(N[C@@H]2CCc3c2cccc3C#N)nc1 ZINC001171064816 1047920789 /nfs/dbraw/zinc/92/07/89/1047920789.db2.gz OAKRQPMXLRMEGB-UXHICEINSA-N 0 3 332.451 4.209 20 30 EIEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3c[nH]c4cccc(F)c34)C2)cc1 ZINC001136988766 1048034856 /nfs/dbraw/zinc/03/48/56/1048034856.db2.gz SBLFYYWCDFXFOS-SFHVURJKSA-N 0 3 349.409 4.222 20 30 EIEDHN C#CCCCCCOC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805912329 1048184160 /nfs/dbraw/zinc/18/41/60/1048184160.db2.gz USFMHFMSWYJVSY-UHFFFAOYSA-N 0 3 327.468 4.026 20 30 EIEDHN O=C1C=C2CN(Cc3c(Cl)cc(Cl)cc3Cl)CCC2S1 ZINC001143797358 1048209091 /nfs/dbraw/zinc/20/90/91/1048209091.db2.gz HURTVBISWHVYKE-CYBMUJFWSA-N 0 3 348.682 4.421 20 30 EIEDHN CC(C)(CCC(=O)C(C#N)C(=O)Nc1ccccc1)c1ccccc1 ZINC000155118388 1048209247 /nfs/dbraw/zinc/20/92/47/1048209247.db2.gz YJYMOUCOVDLVBE-GOSISDBHSA-N 0 3 334.419 4.092 20 30 EIEDHN C=CCc1cc(OCC)cc(CN(C)Cc2ccc(F)cc2)c1O ZINC000919935366 1048316688 /nfs/dbraw/zinc/31/66/88/1048316688.db2.gz DSNKNBKJWQYOJJ-UHFFFAOYSA-N 0 3 329.415 4.291 20 30 EIEDHN N#CCCC[C@@H](NCc1ccnc(Br)c1)c1ccccc1 ZINC000815123885 1048337552 /nfs/dbraw/zinc/33/75/52/1048337552.db2.gz QVNNNZWPYGNMSR-MRXNPFEDSA-N 0 3 344.256 4.369 20 30 EIEDHN C#Cc1ccc(CNC2(c3ccc(Br)cc3)CC2)cc1 ZINC000809601647 1048435959 /nfs/dbraw/zinc/43/59/59/1048435959.db2.gz HZXQWYYYOBJKDA-UHFFFAOYSA-N 0 3 326.237 4.209 20 30 EIEDHN C#C[C@H](NCc1cn(-c2ccccc2)nc1-c1cccnc1)C(C)(C)C ZINC000809781408 1048529876 /nfs/dbraw/zinc/52/98/76/1048529876.db2.gz QSQVYBHUTHQLNV-FQEVSTJZSA-N 0 3 344.462 4.072 20 30 EIEDHN COc1cc(CNCc2ccc(SC(F)F)cc2)ccc1C#N ZINC000810169619 1048654039 /nfs/dbraw/zinc/65/40/39/1048654039.db2.gz URTFWFHKJMZUQJ-UHFFFAOYSA-N 0 3 334.391 4.171 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cncc3ccccc32)c1 ZINC000772920974 1048657390 /nfs/dbraw/zinc/65/73/90/1048657390.db2.gz LKWWWQYTSQVDGM-IBGZPJMESA-N 0 3 331.419 4.206 20 30 EIEDHN C=CCCCCCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000810243771 1048726681 /nfs/dbraw/zinc/72/66/81/1048726681.db2.gz TZDMMGAJPYRXHY-QGZVFWFLSA-N 0 3 339.476 4.160 20 30 EIEDHN C=CCCCCCCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000810243770 1048727992 /nfs/dbraw/zinc/72/79/92/1048727992.db2.gz TZDMMGAJPYRXHY-KRWDZBQOSA-N 0 3 339.476 4.160 20 30 EIEDHN COc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1C#N ZINC000810250991 1048728578 /nfs/dbraw/zinc/72/85/78/1048728578.db2.gz RSDBBYVJDUDNHA-QGZVFWFLSA-N 0 3 349.478 4.408 20 30 EIEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC(C(=O)c2ccccc2)CC1 ZINC001171202354 1048761315 /nfs/dbraw/zinc/76/13/15/1048761315.db2.gz BUNZCOKZHDBZBO-QGZVFWFLSA-N 0 3 332.447 4.084 20 30 EIEDHN COc1cccc([C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1O ZINC000846153963 1048824917 /nfs/dbraw/zinc/82/49/17/1048824917.db2.gz KQYLORLTTJJWTM-ZDUSSCGKSA-N 0 3 349.352 4.122 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc(Cl)c3F)nc21 ZINC000810590170 1048825031 /nfs/dbraw/zinc/82/50/31/1048825031.db2.gz FIZALDIIOAKBBM-LBPRGKRZSA-N 0 3 341.773 4.083 20 30 EIEDHN N#Cc1ccc(CNC2(c3cccc(Br)c3)CCC2)cc1 ZINC000130739589 1048866534 /nfs/dbraw/zinc/86/65/34/1048866534.db2.gz RNCPESLWCLMNOC-UHFFFAOYSA-N 0 3 341.252 4.490 20 30 EIEDHN Cc1cc(C#N)ccc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000846754250 1048890573 /nfs/dbraw/zinc/89/05/73/1048890573.db2.gz KOVHDUAXZPDSOW-UHFFFAOYSA-N 0 3 337.389 4.084 20 30 EIEDHN CN(Cc1ccc(C#N)c(F)c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001170860480 1048933020 /nfs/dbraw/zinc/93/30/20/1048933020.db2.gz IVJNVHHEYCHQSA-PMACEKPBSA-N 0 3 338.426 4.375 20 30 EIEDHN CC(C)(CCC#N)CN[C@@H](c1nc(Br)cs1)C1CC1 ZINC000817585448 1049013273 /nfs/dbraw/zinc/01/32/73/1049013273.db2.gz MQKSBSUIGAMUBW-GFCCVEGCSA-N 0 3 342.306 4.276 20 30 EIEDHN CC(C)(C#N)c1ccccc1CN1CC=C(c2ccc(O)cc2)CC1 ZINC000135109751 1049070707 /nfs/dbraw/zinc/07/07/07/1049070707.db2.gz GNAGGAPWYUXPQI-UHFFFAOYSA-N 0 3 332.447 4.483 20 30 EIEDHN Cc1cc(C)c(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)o1 ZINC000175109665 1049117157 /nfs/dbraw/zinc/11/71/57/1049117157.db2.gz DVRZKLCNFWGPRP-INIZCTEOSA-N 0 3 332.359 4.011 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000772983455 1049195897 /nfs/dbraw/zinc/19/58/97/1049195897.db2.gz KINBHJUSJRSAHD-BEFAXECRSA-N 0 3 336.435 4.153 20 30 EIEDHN N#CC(C(=O)Nc1cccc(Cl)c1)c1nc2cc(F)ccc2s1 ZINC000609627438 1049214719 /nfs/dbraw/zinc/21/47/19/1049214719.db2.gz WILMSDIADBXVAW-GFCCVEGCSA-N 0 3 345.786 4.335 20 30 EIEDHN N#CCC[C@@H](NC[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000819184205 1049274720 /nfs/dbraw/zinc/27/47/20/1049274720.db2.gz WVHQRPYMZHFRPL-MSOLQXFVSA-N 0 3 348.368 4.373 20 30 EIEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000773081638 1049571583 /nfs/dbraw/zinc/57/15/83/1049571583.db2.gz FGZVYFKYWUKKPB-LJQANCHMSA-N 0 3 336.435 4.133 20 30 EIEDHN C=CCc1cc(CN[C@@H]2CCc3c2cccc3F)cc(OC)c1OC ZINC000747815408 1049578439 /nfs/dbraw/zinc/57/84/39/1049578439.db2.gz HGAYXYCICAEFLG-LJQANCHMSA-N 0 3 341.426 4.349 20 30 EIEDHN CCOc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1C ZINC000080454726 1049584225 /nfs/dbraw/zinc/58/42/25/1049584225.db2.gz AYIOLNLWNOMKMB-CQSZACIVSA-N 0 3 328.437 4.464 20 30 EIEDHN C#CC[C@@H](N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000773104897 1049584874 /nfs/dbraw/zinc/58/48/74/1049584874.db2.gz GQVLRLJFDTWMFY-HNAYVOBHSA-N 0 3 332.447 4.332 20 30 EIEDHN N#CCCCOc1cccc(CNCc2ccc(F)c(Cl)c2)c1 ZINC000237746593 1049742497 /nfs/dbraw/zinc/74/24/97/1049742497.db2.gz IVPBQSWOYLHFJJ-UHFFFAOYSA-N 0 3 332.806 4.451 20 30 EIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(-c2ccc(C)c(OC)c2)no1 ZINC001171920643 1049820229 /nfs/dbraw/zinc/82/02/29/1049820229.db2.gz KKHFVTLCMYICHE-RDJZCZTQSA-N 0 3 341.455 4.278 20 30 EIEDHN C[C@H](Cc1cccc(F)c1)N(C)Cc1cc(Cl)ccc1OCC#N ZINC001171006410 1049824856 /nfs/dbraw/zinc/82/48/56/1049824856.db2.gz FJJKSFVLASNTIJ-CQSZACIVSA-N 0 3 346.833 4.444 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1coc(-c2ccc(F)cc2)n1 ZINC001172304109 1049873848 /nfs/dbraw/zinc/87/38/48/1049873848.db2.gz HCGKPXQFBYJSDW-AWEZNQCLSA-N 0 3 335.382 4.073 20 30 EIEDHN Cc1ccc([C@@]2(C)CN([C@H](C)Cc3ccc(C#N)cc3)CCO2)cc1 ZINC001172319538 1049877806 /nfs/dbraw/zinc/87/78/06/1049877806.db2.gz OAZFDLSEGQFGKO-XMSQKQJNSA-N 0 3 334.463 4.045 20 30 EIEDHN CC(C)COCC[C@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172481391 1049910262 /nfs/dbraw/zinc/91/02/62/1049910262.db2.gz RUAPOGKTOAPAGE-KRWDZBQOSA-N 0 3 332.463 4.134 20 30 EIEDHN CC[C@H](C)CN(CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000248368090 1050051929 /nfs/dbraw/zinc/05/19/29/1050051929.db2.gz UUKCEJVYXSELCT-JKSUJKDBSA-N 0 3 347.528 4.387 20 30 EIEDHN CCCCCCCC[C@@H](CCC)N1CCC(S(C)(=O)=O)CC1 ZINC001173310281 1050403425 /nfs/dbraw/zinc/40/34/25/1050403425.db2.gz RVRJBKWOXOKVFS-QGZVFWFLSA-N 0 3 331.566 4.415 20 30 EIEDHN C=CCOC1CCC(N2Cc3ccc(Br)cc3C2)CC1 ZINC001173321382 1050414313 /nfs/dbraw/zinc/41/43/13/1050414313.db2.gz JWPUCLUFVJKUIW-UHFFFAOYSA-N 0 3 336.273 4.279 20 30 EIEDHN N#CCC1CCC(NCc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001173328120 1050419959 /nfs/dbraw/zinc/41/99/59/1050419959.db2.gz OJBMNVGZHRONFU-UHFFFAOYSA-N 0 3 331.769 4.316 20 30 EIEDHN Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1Br ZINC000618741579 1050500848 /nfs/dbraw/zinc/50/08/48/1050500848.db2.gz GKGCHYZKJIUZIL-SFHVURJKSA-N 0 3 341.252 4.406 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)c(C(F)(F)F)c1 ZINC000618741033 1050500905 /nfs/dbraw/zinc/50/09/05/1050500905.db2.gz BWIYOKSLVTTYRR-KRWDZBQOSA-N 0 3 334.316 4.493 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(OC(F)F)c(F)c1 ZINC000618742669 1050501103 /nfs/dbraw/zinc/50/11/03/1050501103.db2.gz OTNBTASTFUGQLW-MRXNPFEDSA-N 0 3 332.325 4.076 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(F)cc(C(F)(F)F)c1 ZINC000618743176 1050502817 /nfs/dbraw/zinc/50/28/17/1050502817.db2.gz ZADHYZDIMLPEMN-KRWDZBQOSA-N 0 3 334.316 4.493 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cnc(-c2ccccc2)s1 ZINC000618743111 1050503131 /nfs/dbraw/zinc/50/31/31/1050503131.db2.gz XAGOFWAHEGEMKO-LJQANCHMSA-N 0 3 331.444 4.459 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnc(-c2ccccc2)s1 ZINC000618743110 1050504446 /nfs/dbraw/zinc/50/44/46/1050504446.db2.gz XAGOFWAHEGEMKO-IBGZPJMESA-N 0 3 331.444 4.459 20 30 EIEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000618802757 1050519787 /nfs/dbraw/zinc/51/97/87/1050519787.db2.gz FPWCDPSCXDGGLT-KUHUBIRLSA-N 0 3 334.419 4.058 20 30 EIEDHN COc1cc(C)c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618807454 1050536912 /nfs/dbraw/zinc/53/69/12/1050536912.db2.gz ZKTRIEFESNYPOE-LIRRHRJNSA-N 0 3 336.435 4.222 20 30 EIEDHN N#Cc1ccc(OC2CCN(Cc3ccc4cnccc4c3)CC2)cc1 ZINC000618810102 1050539546 /nfs/dbraw/zinc/53/95/46/1050539546.db2.gz NPLJYASIGWWGIF-UHFFFAOYSA-N 0 3 343.430 4.150 20 30 EIEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)cc1Br ZINC001173930479 1050653169 /nfs/dbraw/zinc/65/31/69/1050653169.db2.gz ZDKXOLVFFOJCJL-UHFFFAOYSA-N 0 3 330.229 4.126 20 30 EIEDHN C#C[C@H]1CC[C@H](NCc2c(F)cc(Br)cc2F)CC1 ZINC001179507342 1050713461 /nfs/dbraw/zinc/71/34/61/1050713461.db2.gz VGYRZCWEMHBXQB-UMSPYCQHSA-N 0 3 328.200 4.009 20 30 EIEDHN C#Cc1cccc(NC(=O)CN(C)[C@H]2CC[C@](C)(c3ccccc3)C2)c1 ZINC001180161480 1050903857 /nfs/dbraw/zinc/90/38/57/1050903857.db2.gz FCLLYXHQVBCSDD-GMAHTHKFSA-N 0 3 346.474 4.049 20 30 EIEDHN CC(C)(O)C#Cc1cccc(NC2=CCCN(Cc3ccccc3)C2)c1 ZINC001174394501 1050909865 /nfs/dbraw/zinc/90/98/65/1050909865.db2.gz KAQALSBDJLZZHW-UHFFFAOYSA-N 0 3 346.474 4.011 20 30 EIEDHN C[C@H](N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC001174653240 1051127069 /nfs/dbraw/zinc/12/70/69/1051127069.db2.gz RKKLJMBYTMKWIY-BJOOFOGMSA-N 0 3 346.352 4.143 20 30 EIEDHN C=C(C)Cc1ccc(C(=O)N(C)CCN(C)Cc2ccccc2)cc1 ZINC001190224204 1051133318 /nfs/dbraw/zinc/13/33/18/1051133318.db2.gz HNKWFRIQZMBDBE-UHFFFAOYSA-N 0 3 336.479 4.009 20 30 EIEDHN C#CCN(C[C@@H](O)c1ccc(F)cc1Cl)[C@@H]1CCc2ccccc21 ZINC001190528962 1051205716 /nfs/dbraw/zinc/20/57/16/1051205716.db2.gz OXMOWMLLRHFBRD-WOJBJXKFSA-N 0 3 343.829 4.135 20 30 EIEDHN Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(C)c2C)c(C#N)c1C ZINC000183734566 1051323644 /nfs/dbraw/zinc/32/36/44/1051323644.db2.gz OAOVLLWCAJCUHJ-LSDHHAIUSA-N 0 3 339.439 4.063 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000155442512 1051420067 /nfs/dbraw/zinc/42/00/67/1051420067.db2.gz ADUZNDTTZXEOLC-INIZCTEOSA-N 0 3 333.416 4.364 20 30 EIEDHN CC[C@H](Nc1ccc(N2CCN(CC)CC2)cc1)c1ccc(C#N)cc1 ZINC000774274470 1051543320 /nfs/dbraw/zinc/54/33/20/1051543320.db2.gz UHEITEBOWZAGSK-QFIPXVFZSA-N 0 3 348.494 4.263 20 30 EIEDHN CC[C@@H](Nc1ccc(N2CCN(CC)CC2)cc1)c1ccc(C#N)cc1 ZINC000774274464 1051543705 /nfs/dbraw/zinc/54/37/05/1051543705.db2.gz UHEITEBOWZAGSK-JOCHJYFZSA-N 0 3 348.494 4.263 20 30 EIEDHN N#Cc1c(F)cc(NC2=CCN(Cc3ccccc3)CC2)cc1F ZINC001175507866 1051642799 /nfs/dbraw/zinc/64/27/99/1051642799.db2.gz XQCFMUWTJADFGV-UHFFFAOYSA-N 0 3 325.362 4.038 20 30 EIEDHN CCN1CCN(c2ccc(Nc3cccc(Cl)c3C#N)cc2)CC1 ZINC001175781195 1051783790 /nfs/dbraw/zinc/78/37/90/1051783790.db2.gz FOEMECHLFMJPIP-UHFFFAOYSA-N 0 3 340.858 4.097 20 30 EIEDHN CCCCCCC[C@H](C)NC(=O)N(C(C)C)C1CCN(C)CC1 ZINC001192938814 1051841169 /nfs/dbraw/zinc/84/11/69/1051841169.db2.gz UMQITKCHZLNDJJ-KRWDZBQOSA-N 0 3 325.541 4.250 20 30 EIEDHN Cc1ccc(C)c([C@@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC001193011493 1051851440 /nfs/dbraw/zinc/85/14/40/1051851440.db2.gz JFBXOAYBVPWJQR-CQSZACIVSA-N 0 3 341.842 4.118 20 30 EIEDHN C[C@@H](c1ccccc1)N1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC001183532969 1051864249 /nfs/dbraw/zinc/86/42/49/1051864249.db2.gz ITROWCXDDZEYDY-IBGZPJMESA-N 0 3 347.506 4.367 20 30 EIEDHN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000184373165 1051928429 /nfs/dbraw/zinc/92/84/29/1051928429.db2.gz HKSATQHXIYYVOR-ZDUSSCGKSA-N 0 3 335.432 4.062 20 30 EIEDHN C[C@]1(c2ccccc2)CC[C@H](N2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001184046063 1051945071 /nfs/dbraw/zinc/94/50/71/1051945071.db2.gz SGWPLNCCTZWWRH-VABKMULXSA-N 0 3 346.474 4.442 20 30 EIEDHN C[C@H]1C[C@H](N2CCC3(CC2)CC(=O)C=CO3)c2ccsc2S1 ZINC001184054689 1051947233 /nfs/dbraw/zinc/94/72/33/1051947233.db2.gz IYDZKTHGMQHELT-WFASDCNBSA-N 0 3 335.494 4.011 20 30 EIEDHN CCCCCCCOC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001194019909 1052050368 /nfs/dbraw/zinc/05/03/68/1052050368.db2.gz USTWDSGXVUSKCX-UHFFFAOYSA-N 0 3 348.487 4.053 20 30 EIEDHN C=CCCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000172421315 1052497135 /nfs/dbraw/zinc/49/71/35/1052497135.db2.gz LOOQJWKWYWLSCA-CYBMUJFWSA-N 0 3 328.378 4.321 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000850137529 1053078906 /nfs/dbraw/zinc/07/89/06/1053078906.db2.gz QCHOOTFKSGLVLO-FQEVSTJZSA-N 0 3 345.446 4.213 20 30 EIEDHN CCCC[C@@H](C)N(C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001194875507 1053138371 /nfs/dbraw/zinc/13/83/71/1053138371.db2.gz ZNHDEOODKFVFGN-MRXNPFEDSA-N 0 3 349.906 4.406 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3c(F)cccc3F)nc21 ZINC000764650834 1053255432 /nfs/dbraw/zinc/25/54/32/1053255432.db2.gz WXLXDKCBCSUVOY-RYUDHWBXSA-N 0 3 339.345 4.130 20 30 EIEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H](C)c3c(F)cccc3F)[nH]c21 ZINC000764650834 1053255446 /nfs/dbraw/zinc/25/54/46/1053255446.db2.gz WXLXDKCBCSUVOY-RYUDHWBXSA-N 0 3 339.345 4.130 20 30 EIEDHN COc1cccc(C2(N[C@H](C)c3ccc(OCC#N)cc3)CCC2)c1 ZINC000850565465 1053321039 /nfs/dbraw/zinc/32/10/39/1053321039.db2.gz BZNZOIJMWMCXEO-MRXNPFEDSA-N 0 3 336.435 4.328 20 30 EIEDHN C=CCC[C@@H](NC[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000850581202 1053332371 /nfs/dbraw/zinc/33/23/71/1053332371.db2.gz VDROTVIMUGNQAI-HUUCEWRRSA-N 0 3 325.330 4.027 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000850738229 1053343931 /nfs/dbraw/zinc/34/39/31/1053343931.db2.gz HXMWXKXFKJJPNN-BRWVUGGUSA-N 0 3 335.451 4.356 20 30 EIEDHN COC[C@@H](C)N(Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001196646621 1053715700 /nfs/dbraw/zinc/71/57/00/1053715700.db2.gz MUGAEUTZXRKTNC-QVKFZJNVSA-N 0 3 338.426 4.222 20 30 EIEDHN Clc1ccc(C#CCN2CCC[C@H](c3c[nH]c4ncccc34)C2)cc1 ZINC001196984094 1053817549 /nfs/dbraw/zinc/81/75/49/1053817549.db2.gz XSIYCYNVKJGPFO-KRWDZBQOSA-N 0 3 349.865 4.447 20 30 EIEDHN N#Cc1cc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)ccc1F ZINC000121779144 1053847841 /nfs/dbraw/zinc/84/78/41/1053847841.db2.gz LLSPOUMBOVUFHF-MJGOQNOKSA-N 0 3 342.414 4.159 20 30 EIEDHN CC(C)c1ccc([C@@H](C)CC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000121836707 1053851198 /nfs/dbraw/zinc/85/11/98/1053851198.db2.gz ZDGXLMSBFDVTIA-KXBFYZLASA-N 0 3 340.467 4.071 20 30 EIEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc2ncsc2c1 ZINC000776807281 1053907019 /nfs/dbraw/zinc/90/70/19/1053907019.db2.gz GEUIFKIBCBFVSF-UONOGXRCSA-N 0 3 337.448 4.438 20 30 EIEDHN C[C@H]1Cc2n[nH]cc2CN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001197785138 1053995370 /nfs/dbraw/zinc/99/53/70/1053995370.db2.gz BDMJMIQORWKTMT-INIZCTEOSA-N 0 3 342.446 4.143 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc(OC(C)C)c2)c1 ZINC000113961482 1054034290 /nfs/dbraw/zinc/03/42/90/1054034290.db2.gz WQVMGAPPDXVCLZ-LJQANCHMSA-N 0 3 338.451 4.445 20 30 EIEDHN COc1cc(C#N)ccc1CN[C@H]1CCc2cccc3cccc1c32 ZINC001197992044 1054052847 /nfs/dbraw/zinc/05/28/47/1054052847.db2.gz VUSMQGRQUGGRQD-FQEVSTJZSA-N 0 3 328.415 4.497 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(Cl)c(OC)c2)c1 ZINC000858137166 1054420196 /nfs/dbraw/zinc/42/01/96/1054420196.db2.gz ICCOMALERQEXLR-INIZCTEOSA-N 0 3 344.842 4.319 20 30 EIEDHN CN(CCC#N)c1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858236963 1054442679 /nfs/dbraw/zinc/44/26/79/1054442679.db2.gz FBMDCRWNZNPHFK-OAQYLSRUSA-N 0 3 334.467 4.062 20 30 EIEDHN COc1ccc(C(C)(C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1F ZINC000858258092 1054449323 /nfs/dbraw/zinc/44/93/23/1054449323.db2.gz UUIMRSFFWOYCBY-AWEZNQCLSA-N 0 3 342.414 4.150 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CCCc2ccccc2)c1 ZINC000776078063 1054524916 /nfs/dbraw/zinc/52/49/16/1054524916.db2.gz SVTCBRXQYXJNNN-YLJYHZDGSA-N 0 3 348.446 4.301 20 30 EIEDHN C=CCc1cc(CNCc2ccc3ncccc3c2)cc(OC)c1OC ZINC000105478350 1054525271 /nfs/dbraw/zinc/52/52/71/1054525271.db2.gz RWKUIYGFECZHCC-UHFFFAOYSA-N 0 3 348.446 4.270 20 30 EIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CCCc2ccccc2)c1 ZINC000776078062 1054525875 /nfs/dbraw/zinc/52/58/75/1054525875.db2.gz SVTCBRXQYXJNNN-XLIONFOSSA-N 0 3 348.446 4.301 20 30 EIEDHN CSCc1cc(F)ccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000776162947 1054788338 /nfs/dbraw/zinc/78/83/38/1054788338.db2.gz CJSCRONPNSYAAI-CQSZACIVSA-N 0 3 344.455 4.442 20 30 EIEDHN COc1cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1C#N ZINC001201477281 1054829170 /nfs/dbraw/zinc/82/91/70/1054829170.db2.gz DQRDUZJSVDDRAN-RTWAWAEBSA-N 0 3 345.446 4.300 20 30 EIEDHN CCCCCCCCN1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001201815165 1054914039 /nfs/dbraw/zinc/91/40/39/1054914039.db2.gz YEQDQWBSMNSSPQ-PCCBWWKXSA-N 0 3 346.515 4.191 20 30 EIEDHN CCCCCCCCCN1CCn2c(CN(C)C(C)C)cnc2C1 ZINC001201846724 1054933927 /nfs/dbraw/zinc/93/39/27/1054933927.db2.gz KLNJQEYTOBVRNR-UHFFFAOYSA-N 0 3 334.552 4.290 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(Cc1ccccc1)C(C)C)c1ccccc1 ZINC000877950346 1055160777 /nfs/dbraw/zinc/16/07/77/1055160777.db2.gz JYOXZXFMRMUMBJ-QFIPXVFZSA-N 0 3 334.463 4.338 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN(C)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000877951911 1055161188 /nfs/dbraw/zinc/16/11/88/1055161188.db2.gz UHDJVWKKIKVVCW-YADHBBJMSA-N 0 3 332.447 4.046 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN1CC[C@H](c2cccc(C)c2)C1)c1ccccc1 ZINC000878404963 1055292211 /nfs/dbraw/zinc/29/22/11/1055292211.db2.gz ACGMCHWJZYDUPR-GMAHTHKFSA-N 0 3 346.474 4.225 20 30 EIEDHN CCC1(CC)CN(CC[C@@](C#N)(C(C)=O)c2ccccc2)CCS1 ZINC000878437534 1055311421 /nfs/dbraw/zinc/31/14/21/1055311421.db2.gz ONRBDCADNNXISI-HXUWFJFHSA-N 0 3 344.524 4.035 20 30 EIEDHN CN(Cc1ccc(C#N)cc1F)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273384211 1055790896 /nfs/dbraw/zinc/79/08/96/1055790896.db2.gz DARIETOHRRCRTR-ICSRJNTNSA-N 0 3 342.389 4.189 20 30 EIEDHN CCN(CC)[C@H](CNc1ccc2cc(C#N)ccc2n1)c1ccco1 ZINC000301993923 1056005182 /nfs/dbraw/zinc/00/51/82/1056005182.db2.gz ZTKMORSFTPOOBG-GOSISDBHSA-N 0 3 334.423 4.194 20 30 EIEDHN COc1ccc([C@H]2C[C@@H](N(CCC#N)C3CCCC3)CCO2)cc1 ZINC001168653659 1056159762 /nfs/dbraw/zinc/15/97/62/1056159762.db2.gz NJGWTVGXRCHRQG-AZUAARDMSA-N 0 3 328.456 4.074 20 30 EIEDHN COc1cc(CN(C)[C@@H](C)c2ccc(C#N)cc2)ccc1SC ZINC000109326354 1056417487 /nfs/dbraw/zinc/41/74/87/1056417487.db2.gz DZIPNEPNGYYWPY-AWEZNQCLSA-N 0 3 326.465 4.482 20 30 EIEDHN N#CCC1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000542883537 1056651167 /nfs/dbraw/zinc/65/11/67/1056651167.db2.gz SLIHCPRZGPXLKH-UHFFFAOYSA-N 0 3 333.435 4.065 20 30 EIEDHN CC(C)N(C)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934726 1056797056 /nfs/dbraw/zinc/79/70/56/1056797056.db2.gz SLWSBAWIHXJGGM-SJORKVTESA-N 0 3 349.478 4.131 20 30 EIEDHN CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934377 1056799342 /nfs/dbraw/zinc/79/93/42/1056799342.db2.gz IQGSSIKRLIRQNA-YESZJQIVSA-N 0 3 349.478 4.179 20 30 EIEDHN C#CCCCNCc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000742383285 1058588774 /nfs/dbraw/zinc/58/87/74/1058588774.db2.gz XLYZLVHFVSVDGQ-UHFFFAOYSA-N 0 3 336.266 4.050 20 30 EIEDHN Clc1ccc(CC(CCCc2ccccc2)=Nn2cnnc2)cc1 ZINC000743419172 1058993475 /nfs/dbraw/zinc/99/34/75/1058993475.db2.gz OQKRNEQUEQVAMU-UHFFFAOYSA-N 0 3 338.842 4.401 20 30 EIEDHN C#CCOc1ccc(CNCc2cnc(-c3ccccc3)s2)cc1 ZINC000744449365 1059527933 /nfs/dbraw/zinc/52/79/33/1059527933.db2.gz HWEMKRZYEDLNOL-UHFFFAOYSA-N 0 3 334.444 4.112 20 30 EIEDHN Cc1ccc(CN2CCCCC2)cc1NC=CC(=O)C(F)(F)F ZINC001169481317 1060827900 /nfs/dbraw/zinc/82/79/00/1060827900.db2.gz YTBSEGFAWHKYNP-BQYQJAHWSA-N 0 3 326.362 4.038 20 30 EIEDHN C=C(C)[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001169471788 1060833307 /nfs/dbraw/zinc/83/33/07/1060833307.db2.gz BTMYUNNYFYOBLA-SFHVURJKSA-N 0 3 348.349 4.159 20 30 EIEDHN CC(C)[Si](C#CNCc1ccc2c(c1)C(=O)NC2)(C(C)C)C(C)C ZINC001169767258 1060951348 /nfs/dbraw/zinc/95/13/48/1060951348.db2.gz VQHCTCZWWNQBLZ-UHFFFAOYSA-N 0 3 342.559 4.199 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N/C1CC[NH+](Cc2ccccc2)CC1 ZINC000049946922 214037297 /nfs/dbraw/zinc/03/72/97/214037297.db2.gz HXYIUAYNPNSCEO-FYJGNVAPSA-N 0 3 328.843 4.129 20 30 EIEDHN C=C1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000532961606 1032421379 /nfs/dbraw/zinc/42/13/79/1032421379.db2.gz RDBWIPNVTPJZPL-UHFFFAOYSA-N 0 3 336.435 4.460 20 30 EIEDHN C[C@@H](N[C@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(C#N)c1 ZINC000533367586 1032706017 /nfs/dbraw/zinc/70/60/17/1032706017.db2.gz AKTINXAHLKYPRR-FOIQADDNSA-N 0 3 333.435 4.016 20 30 EIEDHN CC(C)COc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000236701486 1032827177 /nfs/dbraw/zinc/82/71/77/1032827177.db2.gz MQLIEXQWBCSXLJ-KRWDZBQOSA-N 0 3 338.451 4.302 20 30 EIEDHN CC[C@@H](NCC#Cc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000510194789 1020425052 /nfs/dbraw/zinc/42/50/52/1020425052.db2.gz SVNDWEMUFMQGIO-GOSISDBHSA-N 0 3 343.854 4.450 20 30 EIEDHN COc1cccc([C@H](C)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000175641707 1020513343 /nfs/dbraw/zinc/51/33/43/1020513343.db2.gz DYXCTEWYAGWMAC-INIZCTEOSA-N 0 3 336.435 4.171 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2cc(-c3ccccc3)oc2C)CC1 ZINC000625322916 1020910317 /nfs/dbraw/zinc/91/03/17/1020910317.db2.gz NJFKDWDLMQPFCY-UHFFFAOYSA-N 0 3 338.451 4.025 20 30 EIEDHN N#Cc1ccc(CNCc2ccc(COc3ccccc3)cc2)s1 ZINC000176947531 1020938820 /nfs/dbraw/zinc/93/88/20/1020938820.db2.gz VQOKQHMLVSMORE-UHFFFAOYSA-N 0 3 334.444 4.489 20 30 EIEDHN CCCN1CCc2c(N)sc(Nc3ccc(C)cc3C#N)c2C1 ZINC001210564840 1021270889 /nfs/dbraw/zinc/27/08/89/1021270889.db2.gz MFKYTOSXXWUEJI-UHFFFAOYSA-N 0 3 326.469 4.022 20 30 EIEDHN N#Cc1ccc(CN(Cc2c[nH]nc2-c2ccccc2F)C2CC2)cc1 ZINC000180029730 1021378431 /nfs/dbraw/zinc/37/84/31/1021378431.db2.gz FPISCHCTUVKGCW-UHFFFAOYSA-N 0 3 346.409 4.252 20 30 EIEDHN N#Cc1csc(CNCc2ccc(COc3ccccc3)cc2)c1 ZINC000177685115 1021442999 /nfs/dbraw/zinc/44/29/99/1021442999.db2.gz ZRINRXXWDLPGDU-UHFFFAOYSA-N 0 3 334.444 4.489 20 30 EIEDHN C[C@H](NCCSCc1ccccc1C#N)c1cccnc1Cl ZINC000177821667 1021719278 /nfs/dbraw/zinc/71/92/78/1021719278.db2.gz MFTIDUMJQHUUHP-ZDUSSCGKSA-N 0 3 331.872 4.191 20 30 EIEDHN CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000580191740 1021756257 /nfs/dbraw/zinc/75/62/57/1021756257.db2.gz WSPJHJAQGRPUAS-CQSZACIVSA-N 0 3 340.448 4.470 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000580191740 1021756268 /nfs/dbraw/zinc/75/62/68/1021756268.db2.gz WSPJHJAQGRPUAS-CQSZACIVSA-N 0 3 340.448 4.470 20 30 EIEDHN C[C@@H](NC[C@@]1(C)OCCc2sccc21)c1ccc(C#N)cc1Cl ZINC000580501952 1021792735 /nfs/dbraw/zinc/79/27/35/1021792735.db2.gz WOWDQZDWDFPTIN-KZULUSFZSA-N 0 3 346.883 4.412 20 30 EIEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000177993712 1021849312 /nfs/dbraw/zinc/84/93/12/1021849312.db2.gz FWLBLGNDFBDOBU-RTBURBONSA-N 0 3 326.827 4.082 20 30 EIEDHN C=CCC[C@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccco1 ZINC000683889975 1021879782 /nfs/dbraw/zinc/87/97/82/1021879782.db2.gz BTXLVGPOLLNGDS-RDJZCZTQSA-N 0 3 332.394 4.434 20 30 EIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000178179183 1022139322 /nfs/dbraw/zinc/13/93/22/1022139322.db2.gz KSCGGGMVNOSPBR-CVEARBPZSA-N 0 3 333.435 4.097 20 30 EIEDHN N#CCCN(C(=O)CN[C@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000104700979 1022783173 /nfs/dbraw/zinc/78/31/73/1022783173.db2.gz RFOCYSMYOLQAST-JOCHJYFZSA-N 0 3 347.462 4.064 20 30 EIEDHN COc1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1C ZINC000659114876 1022841558 /nfs/dbraw/zinc/84/15/58/1022841558.db2.gz JGBTXZIUZBJXCQ-CYBMUJFWSA-N 0 3 328.437 4.248 20 30 EIEDHN N#CC(C(=O)c1cccc(N2CCCC2)c1)c1nc(C2CC2)cs1 ZINC000659116170 1022846978 /nfs/dbraw/zinc/84/69/78/1022846978.db2.gz PKCJPNZLHVRSOK-INIZCTEOSA-N 0 3 337.448 4.111 20 30 EIEDHN N#Cc1csc(CN[C@H]2CCCc3cc(OC(F)F)ccc32)c1 ZINC000343855478 1022892954 /nfs/dbraw/zinc/89/29/54/1022892954.db2.gz SDXRLXUSNFZYKY-INIZCTEOSA-N 0 3 334.391 4.388 20 30 EIEDHN CC(C)(C#N)c1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000589262078 1023112616 /nfs/dbraw/zinc/11/26/16/1023112616.db2.gz PYZYBQDZQBIRHM-FQEVSTJZSA-N 0 3 336.479 4.337 20 30 EIEDHN N#Cc1csc(CN[C@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC000414526195 1023249905 /nfs/dbraw/zinc/24/99/05/1023249905.db2.gz KUNFCCRJPJCNRI-LJQANCHMSA-N 0 3 340.492 4.393 20 30 EIEDHN N#Cc1cccc(CN[C@@H]2CCCc3c(Br)cccc32)c1 ZINC000341199326 1023360952 /nfs/dbraw/zinc/36/09/52/1023360952.db2.gz UWTLSFHQODXSTH-GOSISDBHSA-N 0 3 341.252 4.488 20 30 EIEDHN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000276417345 1023480505 /nfs/dbraw/zinc/48/05/05/1023480505.db2.gz NGPWERHEOJFXDS-MRXNPFEDSA-N 0 3 341.499 4.310 20 30 EIEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(CC)CC1 ZINC000276421145 1023485727 /nfs/dbraw/zinc/48/57/27/1023485727.db2.gz NWQJDTJTOVSOLD-UHFFFAOYSA-N 0 3 329.488 4.098 20 30 EIEDHN C=CCC[C@@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000472757328 1023507901 /nfs/dbraw/zinc/50/79/01/1023507901.db2.gz XOQHLGFNYZHSEC-OAQYLSRUSA-N 0 3 338.426 4.027 20 30 EIEDHN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)c(C)c1OC ZINC000418143915 1023557469 /nfs/dbraw/zinc/55/74/69/1023557469.db2.gz JNGICLCCWFDHRO-IBGZPJMESA-N 0 3 336.435 4.051 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc(-c2ccco2)s1 ZINC000418148512 1023566198 /nfs/dbraw/zinc/56/61/98/1023566198.db2.gz TXJHODCXKNQNGR-KRWDZBQOSA-N 0 3 335.432 4.442 20 30 EIEDHN Cn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(-c2cccs2)n1 ZINC000418151458 1023567731 /nfs/dbraw/zinc/56/77/31/1023567731.db2.gz XIGZGGCMHCEJTR-GOSISDBHSA-N 0 3 348.475 4.187 20 30 EIEDHN N#Cc1ccc2ncc(CN3CCCCC[C@H]3c3ccccc3)n2c1 ZINC000510450029 1023596151 /nfs/dbraw/zinc/59/61/51/1023596151.db2.gz QNKXLMITBZVKHH-FQEVSTJZSA-N 0 3 330.435 4.323 20 30 EIEDHN CCC[C@H](C)N1Cc2ccc(N=Cc3ccc(O)c(O)c3O)cc2C1 ZINC000255361914 1023598555 /nfs/dbraw/zinc/59/85/55/1023598555.db2.gz PYROESKVSWXKAD-ZDUSSCGKSA-N 0 3 340.423 4.058 20 30 EIEDHN C=C(Cl)CN1CCC2(C[C@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000377596207 1023621419 /nfs/dbraw/zinc/62/14/19/1023621419.db2.gz WUOXLGKYWAOWIL-HNNXBMFYSA-N 0 3 347.821 4.198 20 30 EIEDHN N#CCc1ccc(CN[C@@H]2CCc3sc(Br)cc32)cc1 ZINC000581824106 1023733766 /nfs/dbraw/zinc/73/37/66/1023733766.db2.gz XIVJFBUPYUNBEI-CQSZACIVSA-N 0 3 347.281 4.354 20 30 EIEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430913786 1024222158 /nfs/dbraw/zinc/22/21/58/1024222158.db2.gz YDAYJYLCWIPMEG-XMSQKQJNSA-N 0 3 334.463 4.343 20 30 EIEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000661116713 1024247457 /nfs/dbraw/zinc/24/74/57/1024247457.db2.gz ZGHLSJMQLFZIQO-ZIAGYGMSSA-N 0 3 331.485 4.238 20 30 EIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000341761230 1024627469 /nfs/dbraw/zinc/62/74/69/1024627469.db2.gz OTDZEZFQHABGQJ-QRWLVFNGSA-N 0 3 348.446 4.448 20 30 EIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000341762375 1024627722 /nfs/dbraw/zinc/62/77/22/1024627722.db2.gz URVZTDNVYJNFIX-LIRRHRJNSA-N 0 3 334.419 4.058 20 30 EIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000662079641 1024849183 /nfs/dbraw/zinc/84/91/83/1024849183.db2.gz LHPZYKAJOBZTKN-CWRNSKLLSA-N 0 3 327.403 4.428 20 30 EIEDHN CN(C)[C@H](C/N=C\c1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000588480355 1025155276 /nfs/dbraw/zinc/15/52/76/1025155276.db2.gz RYERJDHHJIIBTH-OLIBUNOHSA-N 0 3 336.357 4.133 20 30 EIEDHN C=CCC(C)(C)CNCc1csc(COc2ccc(OC)cc2)n1 ZINC000549829579 1033270260 /nfs/dbraw/zinc/27/02/60/1033270260.db2.gz XVMQGBOYORAJAU-UHFFFAOYSA-N 0 3 346.496 4.423 20 30 EIEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCC(C)(C)C ZINC000121697853 1025343097 /nfs/dbraw/zinc/34/30/97/1025343097.db2.gz SDBNYSONGKENKT-MRXNPFEDSA-N 0 3 328.456 4.285 20 30 EIEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167500920 1025359717 /nfs/dbraw/zinc/35/97/17/1025359717.db2.gz XQDLOEFKYUHWRD-GOEBONIOSA-N 0 3 347.890 4.016 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](c2cccs2)N(C)C)c([O-])c1 ZINC000005227962 1025384434 /nfs/dbraw/zinc/38/44/34/1025384434.db2.gz FJQGLHRBCSUCMQ-NNIWKIFQSA-N 0 3 345.512 4.022 20 30 EIEDHN N#Cc1cccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC001167820251 1025425015 /nfs/dbraw/zinc/42/50/15/1025425015.db2.gz RRGWVSRVXIUOBM-UHFFFAOYSA-N 0 3 338.838 4.380 20 30 EIEDHN C[C@@H](NCCc1cc(C(F)(F)F)ccn1)c1ccc(C#N)cc1F ZINC000519531542 1025964833 /nfs/dbraw/zinc/96/48/33/1025964833.db2.gz OFWJPQXKHAYSMH-LLVKDONJSA-N 0 3 337.320 4.004 20 30 EIEDHN Cc1ccc(C(=O)Nc2cccc(CN[C@@H]3CC[C@@H](C#N)C3)c2)cc1 ZINC000472141372 1026008425 /nfs/dbraw/zinc/00/84/25/1026008425.db2.gz BNBDELPSTLGOBG-VQIMIIECSA-N 0 3 333.435 4.029 20 30 EIEDHN N#Cc1cc(CN2CCCCC[C@H]2C[C@@H](O)c2ccco2)cs1 ZINC000892224421 1026354047 /nfs/dbraw/zinc/35/40/47/1026354047.db2.gz DMNMXCMEYHBCFF-DOTOQJQBSA-N 0 3 330.453 4.081 20 30 EIEDHN CCC(C)(C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000512261786 1026605000 /nfs/dbraw/zinc/60/50/00/1026605000.db2.gz PVXYFJLNGTYHDO-UHFFFAOYSA-N 0 3 344.503 4.151 20 30 EIEDHN C=CCCOCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000391413804 1026815038 /nfs/dbraw/zinc/81/50/38/1026815038.db2.gz NEGAEALHXNXWRP-UHFFFAOYSA-N 0 3 341.295 4.407 20 30 EIEDHN CCc1cccnc1[C@@H](C)NCCSCc1ccccc1C#N ZINC000507516280 1026816937 /nfs/dbraw/zinc/81/69/37/1026816937.db2.gz XDEBQNHELFFFBA-OAHLLOKOSA-N 0 3 325.481 4.100 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(SCC)cc1 ZINC000507508448 1026820811 /nfs/dbraw/zinc/82/08/11/1026820811.db2.gz IVRGHEQGMIGDCK-HZPDHXFCSA-N 0 3 334.529 4.262 20 30 EIEDHN N#Cc1cccc(COc2cccc(CNC3CC(F)(F)C3)c2)c1 ZINC000277758793 1026879894 /nfs/dbraw/zinc/87/98/94/1026879894.db2.gz WZKAMEOEQOMREA-UHFFFAOYSA-N 0 3 328.362 4.025 20 30 EIEDHN C=CCCCCCN1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664937351 1026925625 /nfs/dbraw/zinc/92/56/25/1026925625.db2.gz BHQAVEDWHRLXDM-UHFFFAOYSA-N 0 3 329.419 4.195 20 30 EIEDHN COc1ccc(CNCc2ccc(F)c(C)c2)cc1OCCCC#N ZINC000119992009 1027428830 /nfs/dbraw/zinc/42/88/30/1027428830.db2.gz QXOGHUJSZMLESN-UHFFFAOYSA-N 0 3 342.414 4.115 20 30 EIEDHN COc1ccccc1CN(CCCCC(C)(C)C#N)C[C@@H]1CCCO1 ZINC000444597519 1027894159 /nfs/dbraw/zinc/89/41/59/1027894159.db2.gz RPMPVPSTXIQQEH-IBGZPJMESA-N 0 3 344.499 4.396 20 30 EIEDHN Cc1cc(C)cc(CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000444711842 1028001609 /nfs/dbraw/zinc/00/16/09/1028001609.db2.gz XQYKVYJPHACOCX-UHFFFAOYSA-N 0 3 344.462 4.208 20 30 EIEDHN C=CC[C@H]1N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1(C)C ZINC000444784027 1028055283 /nfs/dbraw/zinc/05/52/83/1028055283.db2.gz MNTYZUCZEJNYOX-QGZVFWFLSA-N 0 3 346.427 4.028 20 30 EIEDHN C=CCOc1ccc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)cc1 ZINC000657741555 1028218576 /nfs/dbraw/zinc/21/85/76/1028218576.db2.gz HFWMSNCQXGOOFH-NHCUHLMSSA-N 0 3 325.452 4.099 20 30 EIEDHN COc1cc(CN[C@@H](C)c2cccc(-c3ccncc3)c2)ccc1C#N ZINC000583292359 1028448539 /nfs/dbraw/zinc/44/85/39/1028448539.db2.gz GFXHLRYRZKABFI-INIZCTEOSA-N 0 3 343.430 4.480 20 30 EIEDHN CCCCN(CC(=O)NCc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000524252702 1028816713 /nfs/dbraw/zinc/81/67/13/1028816713.db2.gz WRCGOVRSQHMBLJ-GOSISDBHSA-N 0 3 349.478 4.038 20 30 EIEDHN CC[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000278347242 1028953068 /nfs/dbraw/zinc/95/30/68/1028953068.db2.gz YLKQXHMZEBCGEF-IIBYNOLFSA-N 0 3 347.462 4.487 20 30 EIEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCC2CCCCC2)c1 ZINC000127120048 1029590045 /nfs/dbraw/zinc/59/00/45/1029590045.db2.gz MWJRRHITTHYUCP-GOSISDBHSA-N 0 3 342.439 4.093 20 30 EIEDHN C[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccc(OCC#N)cc1 ZINC000192914803 1029646814 /nfs/dbraw/zinc/64/68/14/1029646814.db2.gz KODKQXJKBKDMDO-CYBMUJFWSA-N 0 3 334.341 4.459 20 30 EIEDHN CN(CCOCc1ccc(C#N)cc1)Cc1csc2ccccc12 ZINC000584315364 1029731559 /nfs/dbraw/zinc/73/15/59/1029731559.db2.gz VOWKLXJOVVDGMD-UHFFFAOYSA-N 0 3 336.460 4.422 20 30 EIEDHN C=CCOc1ccc(CNCc2cn(C)nc2-c2cccs2)cc1 ZINC000375767871 1030143843 /nfs/dbraw/zinc/14/38/43/1030143843.db2.gz KBXYYIJXOXFBGF-UHFFFAOYSA-N 0 3 339.464 4.003 20 30 EIEDHN CC[C@H](NCc1cn(-c2ccccc2)nc1C)c1ccc(C#N)cc1 ZINC000447600765 1030218373 /nfs/dbraw/zinc/21/83/73/1030218373.db2.gz NLGRJJIFRCFHKE-NRFANRHFSA-N 0 3 330.435 4.293 20 30 EIEDHN CC[C@H](C)c1ccc([C@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000526135884 1030293164 /nfs/dbraw/zinc/29/31/64/1030293164.db2.gz OVJQSNGXYMFDTE-OXJNMPFZSA-N 0 3 341.499 4.049 20 30 EIEDHN C[C@H](N[C@H]1CCCc2nn(-c3ccccc3)cc21)c1ccc(C#N)cc1 ZINC000530321398 1030313152 /nfs/dbraw/zinc/31/31/52/1030313152.db2.gz NKNZIOOBQBNYIJ-KKSFZXQISA-N 0 3 342.446 4.472 20 30 EIEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc2c(c1)CCO2 ZINC000897419341 1030615387 /nfs/dbraw/zinc/61/53/87/1030615387.db2.gz GOFVIIJAVKVAGZ-MRXNPFEDSA-N 0 3 336.435 4.155 20 30 EIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(Br)c1 ZINC000399250263 1030746643 /nfs/dbraw/zinc/74/66/43/1030746643.db2.gz LGMAVHOHKIUHSF-CYBMUJFWSA-N 0 3 329.241 4.366 20 30 EIEDHN CC(C)(C#N)CCCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000610447540 1030813489 /nfs/dbraw/zinc/81/34/89/1030813489.db2.gz LKQNSUSXUWECKP-GHMZBOCLSA-N 0 3 330.316 4.379 20 30 EIEDHN N#CC(C(=O)c1ccc(OC(F)F)cc1)c1nc(C2CC2)cs1 ZINC000647371543 1030875749 /nfs/dbraw/zinc/87/57/49/1030875749.db2.gz SLCYBDSBIASTOD-LBPRGKRZSA-N 0 3 334.347 4.112 20 30 EIEDHN N#Cc1csc(CNC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000531117827 1030896274 /nfs/dbraw/zinc/89/62/74/1030896274.db2.gz LWMVTZQHYUOMNH-UHFFFAOYSA-N 0 3 332.856 4.069 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531616783 1031432293 /nfs/dbraw/zinc/43/22/93/1031432293.db2.gz UKRRAXCOJSRMJQ-RDJZCZTQSA-N 0 3 328.456 4.063 20 30 EIEDHN C=CCN(CCc1ccccc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000065911914 1031491300 /nfs/dbraw/zinc/49/13/00/1031491300.db2.gz TYTKMNOASKWSHZ-UHFFFAOYSA-N 0 3 348.490 4.153 20 30 EIEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000892494811 1031492156 /nfs/dbraw/zinc/49/21/56/1031492156.db2.gz IRUBZLKUAXAPSM-MRXNPFEDSA-N 0 3 326.440 4.061 20 30 EIEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000892496442 1031511053 /nfs/dbraw/zinc/51/10/53/1031511053.db2.gz NTFPEDPKZBAAFR-NSHDSACASA-N 0 3 339.222 4.243 20 30 EIEDHN CC(C)(NCCOc1cccc(C#N)c1)c1nc2ccccc2s1 ZINC000528614472 1031694113 /nfs/dbraw/zinc/69/41/13/1031694113.db2.gz XQZVDUAOMOVWQT-UHFFFAOYSA-N 0 3 337.448 4.072 20 30 EIEDHN CC(C)Oc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000449471077 1031766349 /nfs/dbraw/zinc/76/63/49/1031766349.db2.gz ZMFJDAKGEIRVIP-UHFFFAOYSA-N 0 3 349.478 4.422 20 30 EIEDHN N#CC(C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000528906018 1031931362 /nfs/dbraw/zinc/93/13/62/1031931362.db2.gz APNBJOHYDVTZBS-OWCLPIDISA-N 0 3 333.366 4.072 20 30 EIEDHN N#Cc1csc(CN[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000449732829 1031966743 /nfs/dbraw/zinc/96/67/43/1031966743.db2.gz MWLVEEYLAZJNCV-HIFRSBDPSA-N 0 3 331.872 4.484 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000453582807 1032028670 /nfs/dbraw/zinc/02/86/70/1032028670.db2.gz XIPHEWIITQOYQA-SFHVURJKSA-N 0 3 331.481 4.162 20 30 EIEDHN N#Cc1csc(CN[C@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000453611486 1032044460 /nfs/dbraw/zinc/04/44/60/1032044460.db2.gz ITNWFMDVLIHUQM-GOSISDBHSA-N 0 3 326.465 4.003 20 30 EIEDHN C=CCOc1ccc(CNCc2c[nH]nc2-c2ccc(C)cc2)cc1 ZINC000512553181 1033333875 /nfs/dbraw/zinc/33/38/75/1033333875.db2.gz ZRPHIDFNXXALFH-UHFFFAOYSA-N 0 3 333.435 4.240 20 30 EIEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000512612809 1033495671 /nfs/dbraw/zinc/49/56/71/1033495671.db2.gz PYUMPRCWXSRADF-KZULUSFZSA-N 0 3 332.806 4.389 20 30 EIEDHN C[C@H](NCCc1nc(C(F)(F)F)cs1)c1ccc(C#N)cc1F ZINC000512641206 1033592589 /nfs/dbraw/zinc/59/25/89/1033592589.db2.gz FDZHYZXTXBAKSC-VIFPVBQESA-N 0 3 343.349 4.066 20 30 EIEDHN C[C@H](NCCc1csc(C(C)(C)C)n1)c1ccc(C#N)cc1F ZINC000512647169 1033599994 /nfs/dbraw/zinc/59/99/94/1033599994.db2.gz GSGDSYAHKNXYEF-LBPRGKRZSA-N 0 3 331.460 4.345 20 30 EIEDHN Cc1ccc(C)c(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433015168 1033654942 /nfs/dbraw/zinc/65/49/42/1033654942.db2.gz VYRXMDHYBDXAKF-IBGZPJMESA-N 0 3 335.451 4.267 20 30 EIEDHN Cc1ccc(C)c(NC(=O)CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433015269 1033655345 /nfs/dbraw/zinc/65/53/45/1033655345.db2.gz VYRXMDHYBDXAKF-LJQANCHMSA-N 0 3 335.451 4.267 20 30 EIEDHN CCc1ccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433013565 1033655730 /nfs/dbraw/zinc/65/57/30/1033655730.db2.gz XYWYTESOWKDGMX-FQEVSTJZSA-N 0 3 335.451 4.212 20 30 EIEDHN C[C@H](NC[C@@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1F ZINC000512666374 1033658607 /nfs/dbraw/zinc/65/86/07/1033658607.db2.gz KFCLFVRTQPUUEI-KSSFIOAISA-N 0 3 343.471 4.247 20 30 EIEDHN N#CCCC[C@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000433012497 1033673896 /nfs/dbraw/zinc/67/38/96/1033673896.db2.gz KKELGQDRLPRLOH-SFHVURJKSA-N 0 3 341.842 4.303 20 30 EIEDHN CCN(CC)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccsc1 ZINC000512672791 1033682786 /nfs/dbraw/zinc/68/27/86/1033682786.db2.gz MLSJGNIIHDBQFR-LIRRHRJNSA-N 0 3 345.487 4.493 20 30 EIEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccc(F)cc1F ZINC000178717412 1033815918 /nfs/dbraw/zinc/81/59/18/1033815918.db2.gz UZBHYKBSVPEMIV-SMDDNHRTSA-N 0 3 340.329 4.476 20 30 EIEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419319700 1034250905 /nfs/dbraw/zinc/25/09/05/1034250905.db2.gz CYPRVXTWKBXKAB-IAGOWNOFSA-N 0 3 338.455 4.255 20 30 EIEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419334066 1034324928 /nfs/dbraw/zinc/32/49/28/1034324928.db2.gz UYWJHSQQBDSWNB-IRXDYDNUSA-N 0 3 338.455 4.255 20 30 EIEDHN CC[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(C)cc1 ZINC000120532216 1034408609 /nfs/dbraw/zinc/40/86/09/1034408609.db2.gz UIWIYWAMLDGXNL-QGZVFWFLSA-N 0 3 341.842 4.200 20 30 EIEDHN COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(C#N)cc2C)c1 ZINC000614396018 1034532921 /nfs/dbraw/zinc/53/29/21/1034532921.db2.gz OTZNFFRPVLHHJP-FQEVSTJZSA-N 0 3 336.435 4.221 20 30 EIEDHN Cc1cc(C#N)ccc1CN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000614397683 1034537053 /nfs/dbraw/zinc/53/70/53/1034537053.db2.gz PDRHGQWDZLNMQH-UHFFFAOYSA-N 0 3 342.389 4.188 20 30 EIEDHN CC(C)(C)CN(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000513400434 1034917207 /nfs/dbraw/zinc/91/72/07/1034917207.db2.gz DBASLDDZWLASOJ-UHFFFAOYSA-N 0 3 332.451 4.254 20 30 EIEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279993183 1035123194 /nfs/dbraw/zinc/12/31/94/1035123194.db2.gz RNRHNMLGBQIZTJ-UHFFFAOYSA-N 0 3 335.451 4.110 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000419838861 1035423567 /nfs/dbraw/zinc/42/35/67/1035423567.db2.gz PMTYIOGCJVWSNE-SNVBAGLBSA-N 0 3 333.844 4.340 20 30 EIEDHN Cc1cc(C)cc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000419843639 1035424761 /nfs/dbraw/zinc/42/47/61/1035424761.db2.gz XXGIEMUEWUALJP-AWEZNQCLSA-N 0 3 327.453 4.303 20 30 EIEDHN COCCSc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000237087794 1035500007 /nfs/dbraw/zinc/50/00/07/1035500007.db2.gz PIWBNSSCFUSUJQ-OAHLLOKOSA-N 0 3 326.465 4.148 20 30 EIEDHN COc1cccc(C2(NCc3ccc(C4(C#N)CC4)cc3)CCC2)c1 ZINC000594996395 1035523831 /nfs/dbraw/zinc/52/38/31/1035523831.db2.gz BJRGZVHBSWFPSY-UHFFFAOYSA-N 0 3 332.447 4.419 20 30 EIEDHN Cn1ncc(C2CCC2)c1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000595101663 1035587982 /nfs/dbraw/zinc/58/79/82/1035587982.db2.gz YUYVWOUDYVJZCF-FQEVSTJZSA-N 0 3 334.467 4.117 20 30 EIEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000595075616 1035589189 /nfs/dbraw/zinc/58/91/89/1035589189.db2.gz AOSIHHDEWVODER-WDBKCZKBSA-N 0 3 337.286 4.019 20 30 EIEDHN N#CCc1ccc(CN[C@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000575059171 1035662568 /nfs/dbraw/zinc/66/25/68/1035662568.db2.gz JRAWXJWPAVGJBH-SFHVURJKSA-N 0 3 326.827 4.410 20 30 EIEDHN CC[C@H](C)N(CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000595602880 1035746618 /nfs/dbraw/zinc/74/66/18/1035746618.db2.gz XMMNSDKBRABXNX-GJZGRUSLSA-N 0 3 333.501 4.140 20 30 EIEDHN CC1(C)CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC(C)(C)C1 ZINC000595747634 1035782140 /nfs/dbraw/zinc/78/21/40/1035782140.db2.gz AQHXVUNPZSRMMA-UHFFFAOYSA-N 0 3 338.455 4.256 20 30 EIEDHN N#CC1(c2ccc(CN[C@H](c3ccccc3)C3(CO)CCC3)cc2)CC1 ZINC000597136652 1036117135 /nfs/dbraw/zinc/11/71/35/1036117135.db2.gz ZRUQPGZATWVRFK-OAQYLSRUSA-N 0 3 346.474 4.235 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](CCO)c1ccc(Cl)cc1 ZINC000588231689 1036305246 /nfs/dbraw/zinc/30/52/46/1036305246.db2.gz QRUNYUWLMGPUNT-UXHICEINSA-N 0 3 340.854 4.302 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000588231690 1036305387 /nfs/dbraw/zinc/30/53/87/1036305387.db2.gz QRUNYUWLMGPUNT-VQTJNVASSA-N 0 3 340.854 4.302 20 30 EIEDHN N#Cc1ccc(C2=CCN(Cc3ccc4cnccc4c3)CC2)cc1 ZINC000618812415 1036420681 /nfs/dbraw/zinc/42/06/81/1036420681.db2.gz PKNJFKFXQCCDEL-UHFFFAOYSA-N 0 3 325.415 4.396 20 30 EIEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(F)cc1C(F)(F)F ZINC000602515594 1036474294 /nfs/dbraw/zinc/47/42/94/1036474294.db2.gz QSKMOCHECSFJRP-LBPRGKRZSA-N 0 3 344.352 4.033 20 30 EIEDHN CCOc1ccc(O)c(/C=N/C[C@H](c2cccs2)N2CCCC2)c1 ZINC000060804915 1036477021 /nfs/dbraw/zinc/47/70/21/1036477021.db2.gz XISICJOOJYSQMN-UOBPLZBXSA-N 0 3 344.480 4.108 20 30 EIEDHN N#CC1CCC(CNCc2nc3cc(Br)ccc3o2)CC1 ZINC000602653148 1036551940 /nfs/dbraw/zinc/55/19/40/1036551940.db2.gz BPTVOCHRVIFNRN-UHFFFAOYSA-N 0 3 348.244 4.010 20 30 EIEDHN CC(C)Oc1ccccc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602910473 1036663010 /nfs/dbraw/zinc/66/30/10/1036663010.db2.gz SHFGCGSUQAKXJV-UHFFFAOYSA-N 0 3 335.451 4.120 20 30 EIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cc(F)cc(Br)c1)CC2 ZINC000589337923 1036739050 /nfs/dbraw/zinc/73/90/50/1036739050.db2.gz IHDYRFHGFMIZMY-KRWDZBQOSA-N 0 3 345.215 4.237 20 30 EIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(N3CCCCCC3)nc1)CC2 ZINC000589336408 1036740217 /nfs/dbraw/zinc/74/02/17/1036740217.db2.gz CPZMEJDQZLLLKQ-OAQYLSRUSA-N 0 3 346.478 4.111 20 30 EIEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1OC(F)F ZINC000192946325 1036748002 /nfs/dbraw/zinc/74/80/02/1036748002.db2.gz SGTKDDWJRYPNGI-QGZVFWFLSA-N 0 3 346.377 4.431 20 30 EIEDHN N#Cc1ccc(CN[C@H](C[C@@H]2CCCO2)c2ccc(F)cc2)s1 ZINC000421874376 1036828660 /nfs/dbraw/zinc/82/86/60/1036828660.db2.gz IGONOSIKKORQOF-MAUKXSAKSA-N 0 3 330.428 4.159 20 30 EIEDHN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1OC1CC1 ZINC000598981685 1036839238 /nfs/dbraw/zinc/83/92/38/1036839238.db2.gz ATGSZNVWLQSSOC-HXUWFJFHSA-N 0 3 348.446 4.275 20 30 EIEDHN Cc1cc(Br)cc2c1[C@@H](NCc1ccc(C#N)s1)CC2 ZINC000421896042 1036845826 /nfs/dbraw/zinc/84/58/26/1036845826.db2.gz ZEHCOHFHTUDCLL-HNNXBMFYSA-N 0 3 347.281 4.468 20 30 EIEDHN COc1ccc([C@H]2CCCN2Cc2ccc(C#N)c(C)c2)cc1OC ZINC000486799197 1036858027 /nfs/dbraw/zinc/85/80/27/1036858027.db2.gz DXFWMBPOBSYZRH-LJQANCHMSA-N 0 3 336.435 4.221 20 30 EIEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000599091045 1036876206 /nfs/dbraw/zinc/87/62/06/1036876206.db2.gz NSGHSQYWQDAWSD-LYRGGWFBSA-N 0 3 327.255 4.089 20 30 EIEDHN Cc1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1C#N ZINC000599454303 1037015946 /nfs/dbraw/zinc/01/59/46/1037015946.db2.gz KLLFNUPNXLHHNC-UHFFFAOYSA-N 0 3 342.446 4.190 20 30 EIEDHN CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(=O)OC)cc1 ZINC000590254361 1037022654 /nfs/dbraw/zinc/02/26/54/1037022654.db2.gz KZVANBXESWNAAP-VQTJNVASSA-N 0 3 334.419 4.073 20 30 EIEDHN CCc1cccc2c1OCC[C@@H]2N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271912437 1037053059 /nfs/dbraw/zinc/05/30/59/1037053059.db2.gz YFGKWTYKHXHDFO-YWZLYKJASA-N 0 3 336.435 4.326 20 30 EIEDHN C=CCC[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000487596137 1037165250 /nfs/dbraw/zinc/16/52/50/1037165250.db2.gz OAVAZVQGGQOOAN-NHCUHLMSSA-N 0 3 336.479 4.156 20 30 EIEDHN Cc1nc2scc(C3CC3)n2c1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000590962113 1037213846 /nfs/dbraw/zinc/21/38/46/1037213846.db2.gz BTGBZTVZGFYJLA-QGZVFWFLSA-N 0 3 348.475 4.230 20 30 EIEDHN Cc1cc(C#N)ccc1CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000591051101 1037271292 /nfs/dbraw/zinc/27/12/92/1037271292.db2.gz CGJHPABPODCZCG-NRFANRHFSA-N 0 3 332.447 4.220 20 30 EIEDHN N#CC1CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000057824087 1037275757 /nfs/dbraw/zinc/27/57/57/1037275757.db2.gz MATHWPFOKLLWNH-UHFFFAOYSA-N 0 3 345.240 4.043 20 30 EIEDHN CC1(C)C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2cc(N)ccc2O1 ZINC000591579375 1037505154 /nfs/dbraw/zinc/50/51/54/1037505154.db2.gz SWYVTUKQRQQEQI-WOJBJXKFSA-N 0 3 347.462 4.410 20 30 EIEDHN N#CC(C(=O)C[C@H]1CCCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000171776388 1037650114 /nfs/dbraw/zinc/65/01/14/1037650114.db2.gz ZKPRYXQXPCYRAY-NVXWUHKLSA-N 0 3 329.403 4.249 20 30 EIEDHN C[C@@H](NCc1ccncc1C#N)[C@H](C)c1ccccc1C(F)(F)F ZINC000592101190 1037731319 /nfs/dbraw/zinc/73/13/19/1037731319.db2.gz XDUIXORXFVBMDH-QWHCGFSZSA-N 0 3 333.357 4.254 20 30 EIEDHN CC(C)(Cc1ccc(C(F)(F)F)cc1)NCc1ccncc1C#N ZINC000592111447 1037731563 /nfs/dbraw/zinc/73/15/63/1037731563.db2.gz JGBXFUPCXJFRIV-UHFFFAOYSA-N 0 3 333.357 4.083 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(cccc3Cl)s2)CC1 ZINC000592076531 1037732843 /nfs/dbraw/zinc/73/28/43/1037732843.db2.gz BTSGWFXJAYPYBF-UHFFFAOYSA-N 0 3 348.899 4.325 20 30 EIEDHN CC#CCCCC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000573989626 1037802012 /nfs/dbraw/zinc/80/20/12/1037802012.db2.gz XRUJNRHSHUFFBA-GOSISDBHSA-N 0 3 334.891 4.033 20 30 EIEDHN C=CCCC[C@@H](N)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000912082511 1037877506 /nfs/dbraw/zinc/87/75/06/1037877506.db2.gz HBMXPFJVUWYEGT-MRXNPFEDSA-N 0 3 334.510 4.022 20 30 EIEDHN COc1ccc(Cl)c2c1CCC[C@H]2N(C)CCCSCC#N ZINC000593106104 1037965295 /nfs/dbraw/zinc/96/52/95/1037965295.db2.gz XKKLCQSRBMQFRU-OAHLLOKOSA-N 0 3 338.904 4.305 20 30 EIEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1COCc1ccccc1 ZINC000912401368 1037980192 /nfs/dbraw/zinc/98/01/92/1037980192.db2.gz MZAWAPFGTJNWOO-LJQANCHMSA-N 0 3 338.451 4.026 20 30 EIEDHN N#CC(C(=O)CCCc1cccc(Br)c1)c1ccccn1 ZINC000761035169 1038157124 /nfs/dbraw/zinc/15/71/24/1038157124.db2.gz VYPMFVSHEIILGU-OAHLLOKOSA-N 0 3 343.224 4.043 20 30 EIEDHN C=CCCCCCN(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000606918807 1038309393 /nfs/dbraw/zinc/30/93/93/1038309393.db2.gz QJLNGFWMDNWQAG-HXUWFJFHSA-N 0 3 343.515 4.211 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000574726697 1038321354 /nfs/dbraw/zinc/32/13/54/1038321354.db2.gz NYWXQKVKEJUUPF-FQEVSTJZSA-N 0 3 325.452 4.101 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000594429712 1038329947 /nfs/dbraw/zinc/32/99/47/1038329947.db2.gz VVQDONARZZSKKB-QGZVFWFLSA-N 0 3 331.485 4.071 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000594434316 1038333120 /nfs/dbraw/zinc/33/31/20/1038333120.db2.gz NJCCUIZUGSLNRX-SFHVURJKSA-N 0 3 339.464 4.188 20 30 EIEDHN C[C@@H](c1ccc2ccccc2c1)N(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594431571 1038334683 /nfs/dbraw/zinc/33/46/83/1038334683.db2.gz NZJPVWKZDBOSRB-KKSFZXQISA-N 0 3 349.478 4.303 20 30 EIEDHN Cc1ccc(Oc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2)cc1 ZINC000594425144 1038340695 /nfs/dbraw/zinc/34/06/95/1038340695.db2.gz GAUUGPWSNIEJEI-IBGZPJMESA-N 0 3 337.423 4.137 20 30 EIEDHN Cc1cccc(Oc2ccccc2NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594424963 1038340993 /nfs/dbraw/zinc/34/09/93/1038340993.db2.gz FHIDBGWKGBQDHQ-KRWDZBQOSA-N 0 3 337.423 4.137 20 30 EIEDHN CC(C)(C#N)c1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000594496800 1038345084 /nfs/dbraw/zinc/34/50/84/1038345084.db2.gz WBVBSPHRCKYEOA-RTWAWAEBSA-N 0 3 334.463 4.498 20 30 EIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(F)cc1N(C)C ZINC000594514584 1038358426 /nfs/dbraw/zinc/35/84/26/1038358426.db2.gz IVVAIXDUPKHNCN-HNNXBMFYSA-N 0 3 337.442 4.493 20 30 EIEDHN CC(=O)Nc1ccc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594520083 1038361501 /nfs/dbraw/zinc/36/15/01/1038361501.db2.gz YQUPEBGJUXLILY-HNNXBMFYSA-N 0 3 333.435 4.247 20 30 EIEDHN N#CC1(c2ccc(CNCc3ccc(Br)cc3)cc2)CC1 ZINC000594919387 1038426892 /nfs/dbraw/zinc/42/68/92/1038426892.db2.gz ZEXGIGTXNRZWCF-UHFFFAOYSA-N 0 3 341.252 4.294 20 30 EIEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000424117676 1038603579 /nfs/dbraw/zinc/60/35/79/1038603579.db2.gz CWLCAYQYXXFDFI-GOSISDBHSA-N 0 3 345.512 4.212 20 30 EIEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000424116828 1038603687 /nfs/dbraw/zinc/60/36/87/1038603687.db2.gz APKILHICJRJLPD-QZTJIDSGSA-N 0 3 347.890 4.099 20 30 EIEDHN Cc1ccc(-n2cc(CN[C@@H]3CC[C@H](C#N)C3)c(C(C)(C)C)n2)cc1 ZINC000424199900 1038736286 /nfs/dbraw/zinc/73/62/86/1038736286.db2.gz QNUBMTLZNGDHOR-FUHWJXTLSA-N 0 3 336.483 4.260 20 30 EIEDHN C=C(C)COc1cc(CN[C@H](C)c2ccncc2CC)ccc1OC ZINC000539104488 1038842199 /nfs/dbraw/zinc/84/21/99/1038842199.db2.gz GQUCYUAKTLOAOD-MRXNPFEDSA-N 0 3 340.467 4.458 20 30 EIEDHN C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000552033537 1038870456 /nfs/dbraw/zinc/87/04/56/1038870456.db2.gz HKBBHSLBFGAIDX-AWEZNQCLSA-N 0 3 341.405 4.156 20 30 EIEDHN C=CCCC[C@@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000539389802 1039046235 /nfs/dbraw/zinc/04/62/35/1039046235.db2.gz CJHHEWOFNFEAKH-MOPGFXCFSA-N 0 3 343.515 4.037 20 30 EIEDHN C=CCC[C@@H](NC[C@H](c1c(F)cccc1F)N(C)C)c1ccco1 ZINC000552048590 1039068898 /nfs/dbraw/zinc/06/88/98/1039068898.db2.gz XNSKFFHUNSXCJP-IAGOWNOFSA-N 0 3 334.410 4.458 20 30 EIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000552323577 1039379236 /nfs/dbraw/zinc/37/92/36/1039379236.db2.gz LYNSOAXIKWAQSF-MRXNPFEDSA-N 0 3 341.451 4.428 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000093667806 1039730961 /nfs/dbraw/zinc/73/09/61/1039730961.db2.gz QKCRALXISYWRLE-YLJYHZDGSA-N 0 3 348.446 4.215 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000442675457 1039845298 /nfs/dbraw/zinc/84/52/98/1039845298.db2.gz YTHRIRBWEMXNIW-GCJKJVERSA-N 0 3 334.463 4.343 20 30 EIEDHN CC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000435269952 1040236373 /nfs/dbraw/zinc/23/63/73/1040236373.db2.gz JOJOQJACOFKBGS-FQEVSTJZSA-N 0 3 336.414 4.174 20 30 EIEDHN N#CC(C(=O)CCC1CCCC1)C(=O)Nc1cccc2ccccc21 ZINC000128676420 1040276927 /nfs/dbraw/zinc/27/69/27/1040276927.db2.gz QZCNHUZAJWFVBD-GOSISDBHSA-N 0 3 334.419 4.458 20 30 EIEDHN CC[C@@H](C)N[C@H](CNc1ncc(Cl)c(C)c1C#N)c1ccco1 ZINC000553603359 1040354377 /nfs/dbraw/zinc/35/43/77/1040354377.db2.gz BEXNOAMPCPZURX-IAQYHMDHSA-N 0 3 332.835 4.049 20 30 EIEDHN COCCSc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 ZINC000539494584 1040471978 /nfs/dbraw/zinc/47/19/78/1040471978.db2.gz KZYRAWWYNVAJKO-CYBMUJFWSA-N 0 3 332.494 4.209 20 30 EIEDHN C[C@@H](CNCc1ccc(OCC(F)(F)F)c(F)c1)C(F)(F)F ZINC000479603362 1040503047 /nfs/dbraw/zinc/50/30/47/1040503047.db2.gz CNBGBGJXDCVODI-QMMMGPOBSA-N 0 3 333.247 4.055 20 30 EIEDHN CC(C)(C#N)CCN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000539589283 1040594417 /nfs/dbraw/zinc/59/44/17/1040594417.db2.gz WKWVKIDKDOGIHG-CYBMUJFWSA-N 0 3 327.255 4.386 20 30 EIEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(-c2ccc(F)cc2)n1 ZINC000435746034 1040598174 /nfs/dbraw/zinc/59/81/74/1040598174.db2.gz SPNUWHKJUZKLFJ-WMLDXEAASA-N 0 3 332.444 4.020 20 30 EIEDHN N#Cc1ccc(CNCCOCc2ccc(Cl)cc2Cl)s1 ZINC000539602332 1040599267 /nfs/dbraw/zinc/59/92/67/1040599267.db2.gz FMASJQZGJGMTGR-UHFFFAOYSA-N 0 3 341.263 4.233 20 30 EIEDHN C[C@H](NCc1cc(N(C)C)nc2ccccc12)c1ccc(C#N)c(F)c1 ZINC000539608412 1040604353 /nfs/dbraw/zinc/60/43/53/1040604353.db2.gz KFUHYGFEMKFJBC-AWEZNQCLSA-N 0 3 348.425 4.162 20 30 EIEDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000539609455 1040606939 /nfs/dbraw/zinc/60/69/39/1040606939.db2.gz HKHKKPXNGGWWBL-JMERFSKESA-N 0 3 330.378 4.263 20 30 EIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)c(C)o2)cc1 ZINC000128765294 1040608161 /nfs/dbraw/zinc/60/81/61/1040608161.db2.gz XAZABECWHZHGJY-SJCJKPOMSA-N 0 3 338.407 4.371 20 30 EIEDHN COc1ccccc1/C=C\CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000553999113 1040690459 /nfs/dbraw/zinc/69/04/59/1040690459.db2.gz CJQJNDXENAHUNC-YVMONPNESA-N 0 3 345.364 4.369 20 30 EIEDHN N#CC(C(=O)c1ccccc1OC(F)F)c1nccc2ccccc21 ZINC000483198428 1040756520 /nfs/dbraw/zinc/75/65/20/1040756520.db2.gz MJULARUBBRFACJ-OAHLLOKOSA-N 0 3 338.313 4.326 20 30 EIEDHN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000483291733 1040808810 /nfs/dbraw/zinc/80/88/10/1040808810.db2.gz RMAYHVUVVPGXTJ-ACJLOTCBSA-N 0 3 347.384 4.499 20 30 EIEDHN C=CCOc1ccc(CN2CCC[C@]3(CCCOC3)C2)cc1Cl ZINC000539819069 1040814575 /nfs/dbraw/zinc/81/45/75/1040814575.db2.gz KEVQREGJYMCIRN-IBGZPJMESA-N 0 3 335.875 4.297 20 30 EIEDHN C=CCOc1ccc(CN[C@H]2CCCc3sccc32)cc1OC ZINC000160987447 1040893804 /nfs/dbraw/zinc/89/38/04/1040893804.db2.gz IBKGQUGIIMKBNK-INIZCTEOSA-N 0 3 329.465 4.489 20 30 EIEDHN CC(C)(C)C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000538153394 1041094227 /nfs/dbraw/zinc/09/42/27/1041094227.db2.gz STHWMQHLFVUAOM-SFHVURJKSA-N 0 3 341.499 4.096 20 30 EIEDHN C=C(C)CN(CC)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000516156004 1041433602 /nfs/dbraw/zinc/43/36/02/1041433602.db2.gz XYBXCDXSOKOKTA-HXUWFJFHSA-N 0 3 343.515 4.067 20 30 EIEDHN C=CCC[C@@H](NCC(=O)N[C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000540457688 1041479330 /nfs/dbraw/zinc/47/93/30/1041479330.db2.gz HNSVGNWRRXEHHD-OXQOHEQNSA-N 0 3 340.442 4.300 20 30 EIEDHN Cc1nc(N[C@H](CN2CCCC2)c2ccccc2)c(Cl)cc1C#N ZINC000461722000 1041572113 /nfs/dbraw/zinc/57/21/13/1041572113.db2.gz WUHUMAOZTUCZIS-GOSISDBHSA-N 0 3 340.858 4.164 20 30 EIEDHN N#CCC1CCN([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000541019745 1041783645 /nfs/dbraw/zinc/78/36/45/1041783645.db2.gz JVLFGTHRZJHABY-KRWDZBQOSA-N 0 3 333.273 4.452 20 30 EIEDHN C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]2CCCC[C@@H]12 ZINC000541112094 1041819250 /nfs/dbraw/zinc/81/92/50/1041819250.db2.gz LMYCDFXGHKSGBB-UWVAXJGDSA-N 0 3 349.478 4.248 20 30 EIEDHN Cc1cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc(C)c1F ZINC000464413066 1041989921 /nfs/dbraw/zinc/98/99/21/1041989921.db2.gz YBICTDOXAZBJMD-ZDUSSCGKSA-N 0 3 336.288 4.346 20 30 EIEDHN N#CC(C(=O)c1cc(F)cc(Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000464407144 1041998744 /nfs/dbraw/zinc/99/87/44/1041998744.db2.gz FYGAHCXFNGJZTQ-LBPRGKRZSA-N 0 3 342.679 4.383 20 30 EIEDHN C=CCc1cc(CN(C)[C@H](C)c2ccc(OC)cc2)cc(OC)c1O ZINC000506326761 1042310416 /nfs/dbraw/zinc/31/04/16/1042310416.db2.gz MWYUBUWLQSAHRU-OAHLLOKOSA-N 0 3 341.451 4.331 20 30 EIEDHN C=CCN(CCc1ccccc1)Cc1cncc(Br)c1 ZINC000542203009 1042332821 /nfs/dbraw/zinc/33/28/21/1042332821.db2.gz KBJHOAVGAWQGAT-UHFFFAOYSA-N 0 3 331.257 4.075 20 30 EIEDHN C=CCN(CC1CCCCC1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000303478999 1042444186 /nfs/dbraw/zinc/44/41/86/1042444186.db2.gz SNCFMZIHTUDXTI-HXUWFJFHSA-N 0 3 343.515 4.067 20 30 EIEDHN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000303487650 1042447308 /nfs/dbraw/zinc/44/73/08/1042447308.db2.gz KFGALNJYERMLFR-QFIPXVFZSA-N 0 3 349.478 4.262 20 30 EIEDHN COc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439433560 1042622981 /nfs/dbraw/zinc/62/29/81/1042622981.db2.gz ALMARIZJZOJTEO-OAHLLOKOSA-N 0 3 326.827 4.210 20 30 EIEDHN Cc1cc(CNCc2ccc(OCc3ccccn3)cc2)ccc1C#N ZINC000443981673 1042716678 /nfs/dbraw/zinc/71/66/78/1042716678.db2.gz FSKKJJGQIAIEPQ-UHFFFAOYSA-N 0 3 343.430 4.131 20 30 EIEDHN COc1ccc(C[C@@H](C)CN(C)Cc2cc(C#N)ccc2F)cc1 ZINC000536425115 1042852000 /nfs/dbraw/zinc/85/20/00/1042852000.db2.gz AFNDMDOKRHFNTI-OAHLLOKOSA-N 0 3 326.415 4.017 20 30 EIEDHN CC[C@H](C)[C@@H](C)N(CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000112599548 1043118028 /nfs/dbraw/zinc/11/80/28/1043118028.db2.gz LVVNPXFEUPQXQO-QWHCGFSZSA-N 0 3 333.863 4.049 20 30 EIEDHN COc1ccccc1C[C@@H](NCc1ccc(F)cc1C#N)C(C)C ZINC000543492942 1043124228 /nfs/dbraw/zinc/12/42/28/1043124228.db2.gz MTKWHINFIVYZNM-LJQANCHMSA-N 0 3 326.415 4.063 20 30 EIEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@@H]1OCCc2ccccc21 ZINC000487403157 1043170582 /nfs/dbraw/zinc/17/05/82/1043170582.db2.gz VNQBYCZIHNUZOI-NRFANRHFSA-N 0 3 334.463 4.234 20 30 EIEDHN Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(OCC(F)(F)F)c1 ZINC000185862457 1043226266 /nfs/dbraw/zinc/22/62/66/1043226266.db2.gz FMSNEDNJNDMOLL-HIFRSBDPSA-N 0 3 326.362 4.108 20 30 EIEDHN C[C@H](C1CCCCC1)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000282509989 1043332490 /nfs/dbraw/zinc/33/24/90/1043332490.db2.gz RWZPOWVNMWXXBG-OAHLLOKOSA-N 0 3 345.512 4.141 20 30 EIEDHN C=C(C)CN1CCC(NC(=S)Nc2cccc(C(C)C)c2)CC1 ZINC000729942351 1043410983 /nfs/dbraw/zinc/41/09/83/1043410983.db2.gz KWUZBKHOSHJYJJ-UHFFFAOYSA-N 0 3 331.529 4.137 20 30 EIEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1csc2ccccc21 ZINC000730023981 1043430676 /nfs/dbraw/zinc/43/06/76/1043430676.db2.gz YKSVJPSVTXJJBX-HUUCEWRRSA-N 0 3 330.497 4.365 20 30 EIEDHN Clc1ccc([C@H]2OCC[C@H]2NCC#Cc2cccc(Cl)c2)cc1 ZINC000494478474 1043510689 /nfs/dbraw/zinc/51/06/89/1043510689.db2.gz VTRZPSUENFYUJN-RTBURBONSA-N 0 3 346.257 4.465 20 30 EIEDHN COc1ccc(CN[C@H](C)c2cccc(OC(F)F)c2)cc1C#N ZINC000172688428 1043815569 /nfs/dbraw/zinc/81/55/69/1043815569.db2.gz IVTWJYKGLMNRBD-GFCCVEGCSA-N 0 3 332.350 4.019 20 30 EIEDHN CC(C)Oc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(C(F)(F)F)c1 ZINC000442792466 1043843145 /nfs/dbraw/zinc/84/31/45/1043843145.db2.gz QDBCFJDMKPRESS-JSGCOSHPSA-N 0 3 326.362 4.274 20 30 EIEDHN CO[C@H](c1ccccc1)[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000494622084 1043858904 /nfs/dbraw/zinc/85/89/04/1043858904.db2.gz SQXBIROJBAIBRV-KXBFYZLASA-N 0 3 347.380 4.423 20 30 EIEDHN C[C@@H](CSc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000732496475 1043927264 /nfs/dbraw/zinc/92/72/64/1043927264.db2.gz WOEQTLQXIXIVJV-ZFWWWQNUSA-N 0 3 336.416 4.432 20 30 EIEDHN N#Cc1cccc(CCNCc2c(Cl)cccc2N2CCCC2)c1 ZINC000466424342 1044447922 /nfs/dbraw/zinc/44/79/22/1044447922.db2.gz VRRGPQHVRQCJSZ-UHFFFAOYSA-N 0 3 339.870 4.144 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734096244 1044473207 /nfs/dbraw/zinc/47/32/07/1044473207.db2.gz LJSKRPSMWQMAFC-UZQMFHLOSA-N 0 3 328.843 4.129 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734096244 1044473219 /nfs/dbraw/zinc/47/32/19/1044473219.db2.gz LJSKRPSMWQMAFC-UZQMFHLOSA-N 0 3 328.843 4.129 20 30 EIEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000734079162 1044479282 /nfs/dbraw/zinc/47/92/82/1044479282.db2.gz LRZSJYRXSWXQIC-LRDDRELGSA-N 0 3 332.831 4.204 20 30 EIEDHN CCN(Cc1cn(-c2ccncc2)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000543397590 1044513201 /nfs/dbraw/zinc/51/32/01/1044513201.db2.gz WBIBCKCJDCZYOU-QGZVFWFLSA-N 0 3 345.450 4.031 20 30 EIEDHN CN(CCc1ccc(F)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000735308309 1044784494 /nfs/dbraw/zinc/78/44/94/1044784494.db2.gz GPALEROUOYLARF-UHFFFAOYSA-N 0 3 332.806 4.056 20 30 EIEDHN N#Cc1ccc(OCCCN2CCS[C@H](c3ccccc3)C2)cc1 ZINC000735494965 1044832673 /nfs/dbraw/zinc/83/26/73/1044832673.db2.gz LYACLRWWEZGFEZ-FQEVSTJZSA-N 0 3 338.476 4.117 20 30 EIEDHN N#CCOc1ccc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000282433203 1045213621 /nfs/dbraw/zinc/21/36/21/1045213621.db2.gz KGKVDDLBOHUICX-INIZCTEOSA-N 0 3 338.373 4.143 20 30 EIEDHN N#Cc1ccc(C2=CCN(Cc3nccc4ccccc43)CC2)cc1 ZINC000611287734 1045275068 /nfs/dbraw/zinc/27/50/68/1045275068.db2.gz OZMJPYIMMDATSF-UHFFFAOYSA-N 0 3 325.415 4.396 20 30 EIEDHN COC(=O)CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611394170 1045298832 /nfs/dbraw/zinc/29/88/32/1045298832.db2.gz OFSAHLHQQYDYST-NHCUHLMSSA-N 0 3 348.446 4.220 20 30 EIEDHN CCCCCn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000611395164 1045300934 /nfs/dbraw/zinc/30/09/34/1045300934.db2.gz OLHPUPZKABDYHH-NRFANRHFSA-N 0 3 336.483 4.421 20 30 EIEDHN C[C@H](N[C@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000611465799 1045313088 /nfs/dbraw/zinc/31/30/88/1045313088.db2.gz UYHPYDIMBTUATR-MGPUTAFESA-N 0 3 348.425 4.065 20 30 EIEDHN C=CCN1CCC(NC(=O)Nc2ccc(-c3ccccc3)c(C)c2)CC1 ZINC000762949148 1045453079 /nfs/dbraw/zinc/45/30/79/1045453079.db2.gz LWVMNCGDARNFCK-UHFFFAOYSA-N 0 3 349.478 4.434 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc(C(F)F)c3)nc21 ZINC000790781466 1045581157 /nfs/dbraw/zinc/58/11/57/1045581157.db2.gz WTHQEYYNZQPQQE-CQSZACIVSA-N 0 3 339.345 4.228 20 30 EIEDHN C[C@@H](C#N)Oc1ccc(CN(C)CCOc2cccc(Cl)c2)cc1 ZINC000768213868 1045755121 /nfs/dbraw/zinc/75/51/21/1045755121.db2.gz VLWDOAUWZOSOSR-HNNXBMFYSA-N 0 3 344.842 4.142 20 30 EIEDHN C=CCOc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000768235033 1045761060 /nfs/dbraw/zinc/76/10/60/1045761060.db2.gz VXSVOFIMDINRIO-QFIPXVFZSA-N 0 3 337.463 4.197 20 30 EIEDHN COCCN(Cc1ccc(O[C@H](C)C#N)cc1)[C@H](C)c1ccccc1 ZINC000768597272 1045824631 /nfs/dbraw/zinc/82/46/31/1045824631.db2.gz QVIZQVDDOLOCRO-QZTJIDSGSA-N 0 3 338.451 4.187 20 30 EIEDHN N#CCOc1ccc(CN2CCC(OCC3CCCCC3)CC2)cc1 ZINC000743853839 1045849540 /nfs/dbraw/zinc/84/95/40/1045849540.db2.gz GJWNDCVTDDBFNC-UHFFFAOYSA-N 0 3 342.483 4.150 20 30 EIEDHN N#CC(C(=O)CCCOc1ccccc1)c1nccc2ccccc21 ZINC000792099323 1045856130 /nfs/dbraw/zinc/85/61/30/1045856130.db2.gz HUNQSRNDTQIOJZ-LJQANCHMSA-N 0 3 330.387 4.270 20 30 EIEDHN C(=NNCc1cccc2cccnc21)c1ccc(N2CCCCC2)cc1 ZINC000915961749 1045856838 /nfs/dbraw/zinc/85/68/38/1045856838.db2.gz BRWIEJZKEROFEE-UHFFFAOYSA-N 0 3 344.462 4.349 20 30 EIEDHN CC[C@H](Oc1ccccc1F)C(=O)C(C#N)c1nccc2ccccc21 ZINC000792106024 1045857910 /nfs/dbraw/zinc/85/79/10/1045857910.db2.gz OXEIKGJJRJKMLN-AEFFLSMTSA-N 0 3 348.377 4.408 20 30 EIEDHN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1nccc2ccccc21 ZINC000792094152 1045862289 /nfs/dbraw/zinc/86/22/89/1045862289.db2.gz DCPZVJOWHMBJMQ-OGZRUICASA-N 0 3 333.778 4.173 20 30 EIEDHN N#CC1CCN(Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000769192717 1045885269 /nfs/dbraw/zinc/88/52/69/1045885269.db2.gz XFUXZVKYQBEZQG-UHFFFAOYSA-N 0 3 329.447 4.425 20 30 EIEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000249254549 1045896090 /nfs/dbraw/zinc/89/60/90/1045896090.db2.gz GHCIPVGRLWFLDB-UNEWFSDZSA-N 0 3 335.373 4.375 20 30 EIEDHN CC(C)N(CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1CCC1 ZINC000077357049 1045940602 /nfs/dbraw/zinc/94/06/02/1045940602.db2.gz UBNFVGPNZGYQRG-OAHLLOKOSA-N 0 3 345.512 4.282 20 30 EIEDHN CCc1ccccc1CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000077446427 1045950008 /nfs/dbraw/zinc/95/00/08/1045950008.db2.gz OOKUGANEWPNCPM-UHFFFAOYSA-N 0 3 344.462 4.316 20 30 EIEDHN C=CC[C@H]1N(Cc2nnc(-c3cccc(F)c3)o2)CCCC1(C)C ZINC000769952204 1046108194 /nfs/dbraw/zinc/10/81/94/1046108194.db2.gz AQQQFBTVYYWMPL-MRXNPFEDSA-N 0 3 329.419 4.442 20 30 EIEDHN CSc1ccccc1CN(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000793233051 1046180251 /nfs/dbraw/zinc/18/02/51/1046180251.db2.gz ORHNXAQIKZOPMH-UHFFFAOYSA-N 0 3 339.508 4.390 20 30 EIEDHN N#CC[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000796652695 1046330571 /nfs/dbraw/zinc/33/05/71/1046330571.db2.gz CQBGFOVITQQPQM-HZPDHXFCSA-N 0 3 329.359 4.092 20 30 EIEDHN N#CC(C(=O)CCCC(F)(F)F)C(=O)Nc1cccc2ccccc21 ZINC000771262246 1046363153 /nfs/dbraw/zinc/36/31/53/1046363153.db2.gz VRRSZUDJWFQISF-CQSZACIVSA-N 0 3 348.324 4.220 20 30 EIEDHN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1(C)C ZINC000916910690 1046457390 /nfs/dbraw/zinc/45/73/90/1046457390.db2.gz SGGGGOSIXXNGON-ZENOOKHLSA-N 0 3 344.842 4.226 20 30 EIEDHN CN(C)[C@@H](CNc1nc(Cl)c(C#N)s1)c1ccc(Cl)cc1 ZINC000804531685 1046574176 /nfs/dbraw/zinc/57/41/76/1046574176.db2.gz QHROTDUJSUWZFC-NSHDSACASA-N 0 3 341.267 4.036 20 30 EIEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCCCC1 ZINC000917097331 1046690929 /nfs/dbraw/zinc/69/09/29/1046690929.db2.gz NLHQHNCLPHVTBX-HNNXBMFYSA-N 0 3 341.480 4.127 20 30 EIEDHN N#Cc1cc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)ccc1F ZINC000459522161 1046752975 /nfs/dbraw/zinc/75/29/75/1046752975.db2.gz GCMVRDBNZVNZOF-FQEVSTJZSA-N 0 3 338.426 4.081 20 30 EIEDHN Cc1ccc(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)c(C)c1 ZINC000917205414 1046807894 /nfs/dbraw/zinc/80/78/94/1046807894.db2.gz GFCQLEJGYHBFTP-HNNXBMFYSA-N 0 3 349.459 4.226 20 30 EIEDHN CCCCCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786534417 1046846017 /nfs/dbraw/zinc/84/60/17/1046846017.db2.gz KYNSUBNQLRYWQG-INIZCTEOSA-N 0 3 334.847 4.026 20 30 EIEDHN COc1ccc(C[C@@H]2CCCN(CC#Cc3ccc(F)cc3)C2)cc1 ZINC001170481335 1046895057 /nfs/dbraw/zinc/89/50/57/1046895057.db2.gz SBPWDHHQOMQVBH-FQEVSTJZSA-N 0 3 337.438 4.141 20 30 EIEDHN COCCSc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000537104496 1046934508 /nfs/dbraw/zinc/93/45/08/1046934508.db2.gz CUZRFSJGOLOHAB-AWEZNQCLSA-N 0 3 344.455 4.287 20 30 EIEDHN C=CCCC[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000537185799 1047026485 /nfs/dbraw/zinc/02/64/85/1047026485.db2.gz VBQPDCFNIQXVRC-OALUTQOASA-N 0 3 343.515 4.037 20 30 EIEDHN C#CCOc1ccc([C@@H](C)N[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000806175812 1047163887 /nfs/dbraw/zinc/16/38/87/1047163887.db2.gz FUKZSQXWVURNAQ-FOIQADDNSA-N 0 3 343.854 4.126 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1-n1cccn1 ZINC000537408097 1047199684 /nfs/dbraw/zinc/19/96/84/1047199684.db2.gz VOICOIALQCSHKA-LSDHHAIUSA-N 0 3 334.398 4.295 20 30 EIEDHN C[C@@H](NCc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000537405639 1047199866 /nfs/dbraw/zinc/19/98/66/1047199866.db2.gz RNPIOOSJOVIROK-LLVKDONJSA-N 0 3 333.204 4.311 20 30 EIEDHN N#CCCC[C@@H](N)C(=O)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000424110231 1047312582 /nfs/dbraw/zinc/31/25/82/1047312582.db2.gz CGFZEHKIGXUKKX-OAQYLSRUSA-N 0 3 349.478 4.132 20 30 EIEDHN C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc[nH]1 ZINC000760444091 1047371982 /nfs/dbraw/zinc/37/19/82/1047371982.db2.gz FBRADURPJWLDJD-INIZCTEOSA-N 0 3 331.419 4.316 20 30 EIEDHN CC[C@H](N[C@@H](CCC(=O)OC)c1ccccc1)c1ccc(C#N)cc1 ZINC000556078428 1047436793 /nfs/dbraw/zinc/43/67/93/1047436793.db2.gz LQMPEVQAWZEYCD-PMACEKPBSA-N 0 3 336.435 4.293 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 ZINC000154750261 1047501862 /nfs/dbraw/zinc/50/18/62/1047501862.db2.gz GGDLLKGBESJIPO-OAQYLSRUSA-N 0 3 348.471 4.356 20 30 EIEDHN C=C[C@H](CC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000533919627 1047694132 /nfs/dbraw/zinc/69/41/32/1047694132.db2.gz SGWCZGGVRZPUKD-NNMXDRDESA-N 0 3 348.490 4.298 20 30 EIEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000556610150 1047840169 /nfs/dbraw/zinc/84/01/69/1047840169.db2.gz QXCRNGVXUZOZBN-AWEZNQCLSA-N 0 3 345.446 4.128 20 30 EIEDHN N#CCCC[C@@H](NCC(=O)NC1CCCCCCC1)c1ccccc1 ZINC000814658853 1048105040 /nfs/dbraw/zinc/10/50/40/1048105040.db2.gz HMUPZCAWMDZGRP-HXUWFJFHSA-N 0 3 341.499 4.240 20 30 EIEDHN C=CCOc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000556911824 1048186404 /nfs/dbraw/zinc/18/64/04/1048186404.db2.gz PSSYFNFDCMAETB-HNNXBMFYSA-N 0 3 326.396 4.319 20 30 EIEDHN CC(C)(CCC(=O)C(C#N)C(=O)Nc1ccccc1)c1ccccc1 ZINC000155118491 1048209964 /nfs/dbraw/zinc/20/99/64/1048209964.db2.gz YJYMOUCOVDLVBE-SFHVURJKSA-N 0 3 334.419 4.092 20 30 EIEDHN O=C1C=C2CN(Cc3cc(Cl)cc(C(F)(F)F)c3)CCC2S1 ZINC001143992066 1048352025 /nfs/dbraw/zinc/35/20/25/1048352025.db2.gz TUWKAWPJGLHBRP-CYBMUJFWSA-N 0 3 347.789 4.133 20 30 EIEDHN CC(C)N(Cc1ccc(C#N)cn1)C[C@H](O)c1ccc2ccccc2c1 ZINC001144166802 1048479618 /nfs/dbraw/zinc/47/96/18/1048479618.db2.gz WSWSNRKQHGIAJZ-QFIPXVFZSA-N 0 3 345.446 4.050 20 30 EIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128156 1048638292 /nfs/dbraw/zinc/63/82/92/1048638292.db2.gz DFJZEQDURCIDCL-DLBZAZTESA-N 0 3 347.462 4.487 20 30 EIEDHN CCN(CCCSCC#N)Cc1cc(Br)ccc1F ZINC000074989462 1048638432 /nfs/dbraw/zinc/63/84/32/1048638432.db2.gz GBOMXFJDXNNKDL-UHFFFAOYSA-N 0 3 345.281 4.057 20 30 EIEDHN Cc1[nH]c2ncc(NC(=N)c3ccc4cc(O)ccc4c3)cc2c1C ZINC001171181765 1048663301 /nfs/dbraw/zinc/66/33/01/1048663301.db2.gz BTSUAAQMDBSWCS-UHFFFAOYSA-N 0 3 330.391 4.076 20 30 EIEDHN Cc1cc2cc(NC(=N)c3ccc4cc(O)ccc4c3)ccc2cn1 ZINC001171186051 1048684074 /nfs/dbraw/zinc/68/40/74/1048684074.db2.gz NNPMIGKLDAXLQM-UHFFFAOYSA-N 0 3 327.387 4.439 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000810225703 1048693851 /nfs/dbraw/zinc/69/38/51/1048693851.db2.gz KKOWDROQCCUNQI-NQIIRXRSSA-N 0 3 331.419 4.016 20 30 EIEDHN COc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccc1OC(C)C ZINC000810208585 1048704877 /nfs/dbraw/zinc/70/48/77/1048704877.db2.gz CPJCFHFPZUNOEV-IBGZPJMESA-N 0 3 336.435 4.131 20 30 EIEDHN CN(Cc1ccc(C(C)(C)C)s1)C[C@H](O)c1cccc(C#N)c1 ZINC000846007082 1048786424 /nfs/dbraw/zinc/78/64/24/1048786424.db2.gz MXMVPZLAUSHLLE-KRWDZBQOSA-N 0 3 328.481 4.083 20 30 EIEDHN CCC[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)c1ccccn1 ZINC000810520786 1048805374 /nfs/dbraw/zinc/80/53/74/1048805374.db2.gz JJJRSSVSFHFGLL-ZIAGYGMSSA-N 0 3 335.432 4.451 20 30 EIEDHN C#CCn1ccc(CN(CC)CC(c2ccccc2)c2ccccc2)n1 ZINC000816593899 1048832029 /nfs/dbraw/zinc/83/20/29/1048832029.db2.gz IJWUQKRCLVFKBM-UHFFFAOYSA-N 0 3 343.474 4.170 20 30 EIEDHN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000811491820 1049087226 /nfs/dbraw/zinc/08/72/26/1049087226.db2.gz RGFJKZSUXPACFJ-CYBMUJFWSA-N 0 3 347.384 4.494 20 30 EIEDHN CCC[C@@H](C)[C@H]1CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000135345689 1049124904 /nfs/dbraw/zinc/12/49/04/1049124904.db2.gz WRAYENQMRQUXJY-NVXWUHKLSA-N 0 3 345.512 4.141 20 30 EIEDHN C=C1CCC(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)CC1 ZINC001133440839 1049573023 /nfs/dbraw/zinc/57/30/23/1049573023.db2.gz BELOKZHKWZQOLQ-UHFFFAOYSA-N 0 3 340.389 4.452 20 30 EIEDHN CC[C@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171590920 1049752351 /nfs/dbraw/zinc/75/23/51/1049752351.db2.gz SGKGCLJIQCWPMZ-OWCLPIDISA-N 0 3 337.508 4.082 20 30 EIEDHN C=CC[C@H]1CCCN(Cc2nc3ccc(Br)cc3o2)C1 ZINC001171846759 1049812647 /nfs/dbraw/zinc/81/26/47/1049812647.db2.gz DOSAOQCLZPPOPA-LBPRGKRZSA-N 0 3 335.245 4.378 20 30 EIEDHN C=CCN1CCC(NC(=O)c2cccc(-c3cccc(C)c3)c2)CC1 ZINC001136670762 1049819929 /nfs/dbraw/zinc/81/99/29/1049819929.db2.gz OGGCNKCSIHFHBO-UHFFFAOYSA-N 0 3 334.463 4.042 20 30 EIEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1nc(-c2ccccc2)cs1 ZINC001172301474 1049872946 /nfs/dbraw/zinc/87/29/46/1049872946.db2.gz PISVKVZIIYOYMI-HNNXBMFYSA-N 0 3 333.460 4.403 20 30 EIEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H](c1ccccc1)c1ccccn1 ZINC001172302005 1049873178 /nfs/dbraw/zinc/87/31/78/1049873178.db2.gz BVZUZKYJEAEQJE-VGOFRKELSA-N 0 3 327.431 4.263 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2csc(C)c2)ccc1OC ZINC000823847295 1049881154 /nfs/dbraw/zinc/88/11/54/1049881154.db2.gz KUYAKZHALVGCOL-INIZCTEOSA-N 0 3 330.453 4.036 20 30 EIEDHN CCCCCCC[C@@H](CCC)N1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001172510462 1049925853 /nfs/dbraw/zinc/92/58/53/1049925853.db2.gz CJRWBDAXBBSQCL-AKHDSKFASA-N 0 3 339.520 4.168 20 30 EIEDHN CCCC[C@H]1C[C@H](N[C@H](CC)CC#N)CCN1C(=O)OC(C)(C)C ZINC001172640329 1049954094 /nfs/dbraw/zinc/95/40/94/1049954094.db2.gz ZQADYDUPHXESRS-ZACQAIPSSA-N 0 3 337.508 4.227 20 30 EIEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1C1CCC2(CCCC2)CC1 ZINC001172728424 1049968339 /nfs/dbraw/zinc/96/83/39/1049968339.db2.gz CQSXCTRKWARBBO-LJQANCHMSA-N 0 3 343.515 4.025 20 30 EIEDHN C=C(C)CN(CC)C(=O)CN1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000248233507 1050047468 /nfs/dbraw/zinc/04/74/68/1050047468.db2.gz LSZLOPFZICYAQN-HXUWFJFHSA-N 0 3 344.499 4.037 20 30 EIEDHN C[C@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1cccc(C#N)c1 ZINC000181596502 1050235699 /nfs/dbraw/zinc/23/56/99/1050235699.db2.gz XJIGLYHIPDRNHK-HNNXBMFYSA-N 0 3 345.402 4.254 20 30 EIEDHN C=CCc1cc(CNCc2ccc(C)c(OC)c2)cc(OC)c1OC ZINC000774987911 1050267612 /nfs/dbraw/zinc/26/76/12/1050267612.db2.gz CXWFMMCQADZKHB-UHFFFAOYSA-N 0 3 341.451 4.039 20 30 EIEDHN C=CC[C@H](NCc1ccc(OCCC)c(OC)c1)c1ccncc1 ZINC001177886106 1050319996 /nfs/dbraw/zinc/31/99/96/1050319996.db2.gz XSSAWQARLKDLCE-SFHVURJKSA-N 0 3 326.440 4.286 20 30 EIEDHN CC1(C#N)CCC(N2CCc3cccc(Br)c3C2)CC1 ZINC001173593546 1050496979 /nfs/dbraw/zinc/49/69/79/1050496979.db2.gz LBDMHCIMRZFKQD-UHFFFAOYSA-N 0 3 333.273 4.280 20 30 EIEDHN CC1(C#N)CCC(N2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001173601406 1050501508 /nfs/dbraw/zinc/50/15/08/1050501508.db2.gz SJLCEGGHSNRKHA-UHFFFAOYSA-N 0 3 336.414 4.071 20 30 EIEDHN C=CC[C@@H](CO)NCc1cc(F)ccc1Oc1ccc(SC)cc1 ZINC001178589011 1050502562 /nfs/dbraw/zinc/50/25/62/1050502562.db2.gz AICCFQUGJKBCMF-INIZCTEOSA-N 0 3 347.455 4.367 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(OC(F)(F)F)c1 ZINC000618742191 1050503085 /nfs/dbraw/zinc/50/30/85/1050503085.db2.gz KWNCVAWSXOLTSO-KRWDZBQOSA-N 0 3 332.325 4.234 20 30 EIEDHN CC[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(OC)c(OC)c1 ZINC000618803295 1050533087 /nfs/dbraw/zinc/53/30/87/1050533087.db2.gz SKZIIQWEGIQGRI-OALUTQOASA-N 0 3 336.435 4.304 20 30 EIEDHN CC[C@H](CC#N)N[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702137 1050547419 /nfs/dbraw/zinc/54/74/19/1050547419.db2.gz IOXQEHZIZBXIQZ-NHCUHLMSSA-N 0 3 334.463 4.405 20 30 EIEDHN CC[C@@H](CC#N)N[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173706390 1050550499 /nfs/dbraw/zinc/55/04/99/1050550499.db2.gz IOXQEHZIZBXIQZ-LEWJYISDSA-N 0 3 334.463 4.405 20 30 EIEDHN C=CCC(C)(C)CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001178795197 1050555229 /nfs/dbraw/zinc/55/52/29/1050555229.db2.gz IJBFJTGKYLPGLM-UHFFFAOYSA-N 0 3 327.222 4.049 20 30 EIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1c[nH]nc1-c1ccc(F)cc1 ZINC001178971438 1050600823 /nfs/dbraw/zinc/60/08/23/1050600823.db2.gz GKDYKDXUAQIQJN-HXUWFJFHSA-N 0 3 346.409 4.255 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCC[C@@]1(C)C[C@@]1(F)Cl ZINC001179095914 1050633240 /nfs/dbraw/zinc/63/32/40/1050633240.db2.gz QDOWQEPBSXNSQA-HOTGVXAUSA-N 0 3 330.230 4.146 20 30 EIEDHN C#CCCOc1ccc(CNCc2ccc(SCC)cc2)cc1 ZINC001179447368 1050693525 /nfs/dbraw/zinc/69/35/25/1050693525.db2.gz DOXMQMZOBQNZPO-UHFFFAOYSA-N 0 3 325.477 4.491 20 30 EIEDHN COc1ccc2c(c1)OCC[C@H]2N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508418 1050797301 /nfs/dbraw/zinc/79/73/01/1050797301.db2.gz PXNVISQKOOVRCA-NHCUHLMSSA-N 0 3 348.446 4.448 20 30 EIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC1(c2ccc3c(c2)OCO3)CC1 ZINC000619508553 1050798051 /nfs/dbraw/zinc/79/80/51/1050798051.db2.gz LBJDMXJHTLVHII-IBGZPJMESA-N 0 3 346.430 4.333 20 30 EIEDHN CC[C@@H](c1ccccc1)N1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC001179878886 1050815247 /nfs/dbraw/zinc/81/52/47/1050815247.db2.gz UUCWHBLTBPBIAR-QFIPXVFZSA-N 0 3 333.479 4.136 20 30 EIEDHN COc1cc2c(cc1OC)[C@@H](NCc1ccc(C#N)c(Cl)c1)CC2 ZINC000619754878 1050884939 /nfs/dbraw/zinc/88/49/39/1050884939.db2.gz NQTADRUITLSQLZ-KRWDZBQOSA-N 0 3 342.826 4.006 20 30 EIEDHN COc1cccc2c1CCC[C@@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000619754955 1050885490 /nfs/dbraw/zinc/88/54/90/1050885490.db2.gz PDKVAYDLDIZEDL-SFHVURJKSA-N 0 3 326.827 4.387 20 30 EIEDHN N#Cc1ccc(CNCc2ccc(OCC3CC3)cc2)cc1Cl ZINC000619748582 1050894753 /nfs/dbraw/zinc/89/47/53/1050894753.db2.gz IZPFWCWEJARUEL-UHFFFAOYSA-N 0 3 326.827 4.290 20 30 EIEDHN Cc1oc(NC(=O)CN[C@H](c2ccccc2C)C(C)C)c(C#N)c1C ZINC000183214491 1051031198 /nfs/dbraw/zinc/03/11/98/1051031198.db2.gz GHIRHRFDSVLNHN-IBGZPJMESA-N 0 3 339.439 4.002 20 30 EIEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(-c2ccccc2C)c1 ZINC001190304554 1051145123 /nfs/dbraw/zinc/14/51/23/1051145123.db2.gz UIJLPYWINHKKAI-FQEVSTJZSA-N 0 3 334.463 4.042 20 30 EIEDHN CC[C@@](C)(NCC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000775389502 1051191842 /nfs/dbraw/zinc/19/18/42/1051191842.db2.gz GAXAUIFUKHPPLX-LJQANCHMSA-N 0 3 341.480 4.090 20 30 EIEDHN N#Cc1ccc(C2CCN([C@H]3CCc4cc(Cl)ccc43)CC2)nc1 ZINC001174871320 1051224840 /nfs/dbraw/zinc/22/48/40/1051224840.db2.gz BINNPVJQQTVCSC-FQEVSTJZSA-N 0 3 337.854 4.474 20 30 EIEDHN C=C(CNCc1c(C)nn(Cc2ccccc2)c1C)c1ccccc1 ZINC000620756949 1051274860 /nfs/dbraw/zinc/27/48/60/1051274860.db2.gz WUQBMAZDLFOFQD-UHFFFAOYSA-N 0 3 331.463 4.351 20 30 EIEDHN N#Cc1cccc(CN2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC001181699147 1051293659 /nfs/dbraw/zinc/29/36/59/1051293659.db2.gz ZQPWLIXAQWNEHK-OAHLLOKOSA-N 0 3 345.368 4.352 20 30 EIEDHN N#Cc1ccc(CN2CCc3ccccc3CC2)c(C(F)(F)F)c1 ZINC001191048051 1051347214 /nfs/dbraw/zinc/34/72/14/1051347214.db2.gz LVYKODAUSYSXNL-UHFFFAOYSA-N 0 3 330.353 4.178 20 30 EIEDHN N#Cc1cc(F)c(F)cc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175507501 1051638660 /nfs/dbraw/zinc/63/86/60/1051638660.db2.gz XULYRSYZNWBCKO-UHFFFAOYSA-N 0 3 325.362 4.038 20 30 EIEDHN Cc1sc(NC(=O)CN(CC(C)C)CC(C)(C)C)c(C#N)c1C ZINC001192225033 1051671850 /nfs/dbraw/zinc/67/18/50/1051671850.db2.gz WZOTVKJKUZIDCV-UHFFFAOYSA-N 0 3 335.517 4.179 20 30 EIEDHN C=CCCC[C@H](NCc1cnnn1-c1ccccc1)c1ccccc1 ZINC001175775163 1051779652 /nfs/dbraw/zinc/77/96/52/1051779652.db2.gz OHLVIAYKQLTZJF-NRFANRHFSA-N 0 3 332.451 4.455 20 30 EIEDHN C=CCN(CCc1ccco1)Cc1ccccc1OCC(F)(F)F ZINC001192652065 1051780721 /nfs/dbraw/zinc/78/07/21/1051780721.db2.gz AQPFHEGTZNDBKO-UHFFFAOYSA-N 0 3 339.357 4.451 20 30 EIEDHN CCN1CCN(c2ccc(Nc3ccc(Cl)cc3C#N)cc2)CC1 ZINC001175780760 1051781069 /nfs/dbraw/zinc/78/10/69/1051781069.db2.gz MCIVBROYSAMCBF-UHFFFAOYSA-N 0 3 340.858 4.097 20 30 EIEDHN CCN1CCN(c2ccc(Nc3c(C#N)oc4ccccc43)cc2)CC1 ZINC001175783370 1051785054 /nfs/dbraw/zinc/78/50/54/1051785054.db2.gz JYIZUOISWIQGIF-UHFFFAOYSA-N 0 3 346.434 4.190 20 30 EIEDHN C=CCC[C@@H](NC/C=C/C(=O)OCC)c1ccc(C(F)(F)F)cc1 ZINC001192635735 1051786119 /nfs/dbraw/zinc/78/61/19/1051786119.db2.gz QLZGBVSMWKNISR-IQIBNGDESA-N 0 3 341.373 4.422 20 30 EIEDHN N#Cc1cncc(CN[C@@H](CCc2ccccc2)c2ccccc2)c1 ZINC001192672563 1051789384 /nfs/dbraw/zinc/78/93/84/1051789384.db2.gz IGRMTDBCKLNNNI-QFIPXVFZSA-N 0 3 327.431 4.417 20 30 EIEDHN N#CCc1cccc2c1CCN(Cc1ccc(CC(F)(F)F)cc1)C2 ZINC001183181873 1051802342 /nfs/dbraw/zinc/80/23/42/1051802342.db2.gz ZDFMRZJGWQXRSB-UHFFFAOYSA-N 0 3 344.380 4.416 20 30 EIEDHN N#CCC[C@@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000775553201 1051829329 /nfs/dbraw/zinc/82/93/29/1051829329.db2.gz MGRCWLPJKCFNQA-QZTJIDSGSA-N 0 3 348.368 4.373 20 30 EIEDHN Cc1ccc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)cc1C#N ZINC001183754552 1051894521 /nfs/dbraw/zinc/89/45/21/1051894521.db2.gz DSGKGFVZXYQSKV-UHFFFAOYSA-N 0 3 336.435 4.112 20 30 EIEDHN CCC1(CC)CCCN(Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC001193429928 1051923435 /nfs/dbraw/zinc/92/34/35/1051923435.db2.gz AVSLQLRBSNNJKK-UHFFFAOYSA-N 0 3 328.456 4.137 20 30 EIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCCC[C@@H](C)C2)c1 ZINC001193516535 1051942337 /nfs/dbraw/zinc/94/23/37/1051942337.db2.gz CYDUJDALETUSQH-APWZRJJASA-N 0 3 341.499 4.061 20 30 EIEDHN CCCC#CC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC001184273047 1051976619 /nfs/dbraw/zinc/97/66/19/1051976619.db2.gz JZIGFODLJRGVJS-IBGZPJMESA-N 0 3 332.447 4.006 20 30 EIEDHN C#CCC1(NCc2nc3cc(Br)ccc3o2)CCCCC1 ZINC001176432053 1052052731 /nfs/dbraw/zinc/05/27/31/1052052731.db2.gz MAZBPJPGVBAXNO-UHFFFAOYSA-N 0 3 347.256 4.406 20 30 EIEDHN C=CCC[C@@H]1CCCN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001176771613 1052193943 /nfs/dbraw/zinc/19/39/43/1052193943.db2.gz NZPVXDPFKGSLIR-QGZVFWFLSA-N 0 3 339.458 4.431 20 30 EIEDHN CCCCCCN(Cc1ccco1)C[C@H](O)c1cccc(C#N)c1 ZINC001176828297 1052196088 /nfs/dbraw/zinc/19/60/88/1052196088.db2.gz QVDTXFQMXVHVRM-FQEVSTJZSA-N 0 3 326.440 4.267 20 30 EIEDHN COc1cc(CN2CCC23CCC3)ccc1OCc1cccc(C#N)c1 ZINC000081545370 1052196880 /nfs/dbraw/zinc/19/68/80/1052196880.db2.gz LXIGAPRTFHJHCK-UHFFFAOYSA-N 0 3 348.446 4.274 20 30 EIEDHN CCC[C@@](C)(NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC001176891607 1052201916 /nfs/dbraw/zinc/20/19/16/1052201916.db2.gz KCKLTMKBNBANKK-HXUWFJFHSA-N 0 3 339.439 4.012 20 30 EIEDHN C=C(C)[C@@H](CO)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000671255466 1052532820 /nfs/dbraw/zinc/53/28/20/1052532820.db2.gz PCNHYPPNGGCILO-CYBMUJFWSA-N 0 3 341.295 4.093 20 30 EIEDHN C=CCOc1c(Cl)cc(CN[C@@H](C)CC(F)(F)F)cc1OC ZINC000623494613 1052665195 /nfs/dbraw/zinc/66/51/95/1052665195.db2.gz XBUDLRKAXSJDPQ-JTQLQIEISA-N 0 3 337.769 4.344 20 30 EIEDHN C=CCC[C@H](NCc1ccc(C(=O)OC)c(F)c1)c1ccccc1 ZINC000180038260 1052775071 /nfs/dbraw/zinc/77/50/71/1052775071.db2.gz CPAUDSWHIFWCHJ-IBGZPJMESA-N 0 3 327.399 4.409 20 30 EIEDHN Cc1ccc2oc(CNCc3ccc(N(C)CCC#N)cc3)cc2c1 ZINC000850375713 1053153669 /nfs/dbraw/zinc/15/36/69/1053153669.db2.gz LJRUPPCUZDIFLG-UHFFFAOYSA-N 0 3 333.435 4.381 20 30 EIEDHN N#Cc1cccc(C2(NCc3cc(Cl)cs3)CCOCC2)c1 ZINC000850384573 1053157138 /nfs/dbraw/zinc/15/71/38/1053157138.db2.gz YEIFIGFMDSFGIC-UHFFFAOYSA-N 0 3 332.856 4.069 20 30 EIEDHN N#CC(C(=O)CCCc1ccc(F)c(F)c1)c1nc2ccccc2[nH]1 ZINC000119838184 1053195123 /nfs/dbraw/zinc/19/51/23/1053195123.db2.gz KALQMMQFVBCLCS-ZDUSSCGKSA-N 0 3 339.345 4.040 20 30 EIEDHN Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccc(C#N)cc1 ZINC000765015067 1053420471 /nfs/dbraw/zinc/42/04/71/1053420471.db2.gz OAOVMGYLJFKRJW-CYBMUJFWSA-N 0 3 334.448 4.236 20 30 EIEDHN C[C@H](CC(C)(C)C#N)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000851204324 1053437555 /nfs/dbraw/zinc/43/75/55/1053437555.db2.gz OPPVGOPIEQSDNM-QGZVFWFLSA-N 0 3 342.483 4.160 20 30 EIEDHN C#CCOc1ccc([C@@H](C)NCc2ccccc2COC(C)C)cc1 ZINC000765337354 1053509676 /nfs/dbraw/zinc/50/96/76/1053509676.db2.gz WWUPGEGLAXZGMI-GOSISDBHSA-N 0 3 337.463 4.474 20 30 EIEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1cc2cnccc2o1 ZINC000865852136 1053610520 /nfs/dbraw/zinc/61/05/20/1053610520.db2.gz NSWHLTFIYPGXOF-HNNXBMFYSA-N 0 3 334.423 4.028 20 30 EIEDHN Cc1ccc(F)cc1NN=Cc1sc(N2CCCC2)nc1Cl ZINC000853394029 1053674887 /nfs/dbraw/zinc/67/48/87/1053674887.db2.gz WOWHAWPPZAFITJ-UHFFFAOYSA-N 0 3 338.839 4.290 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCc3cc(OC)ccc32)c1 ZINC000866296304 1053680857 /nfs/dbraw/zinc/68/08/57/1053680857.db2.gz AJTIMPZMLGJUCT-DYESRHJHSA-N 0 3 336.435 4.153 20 30 EIEDHN C=CCCC[C@H](NCCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC001197378087 1053898018 /nfs/dbraw/zinc/89/80/18/1053898018.db2.gz UTYSQUIIPQMJIY-FQEVSTJZSA-N 0 3 343.492 4.148 20 30 EIEDHN C#CCC1(NCc2cc(Br)ccc2OC(F)F)CCC1 ZINC001198033241 1054062389 /nfs/dbraw/zinc/06/23/89/1054062389.db2.gz DPHNKHWZFPMSAQ-UHFFFAOYSA-N 0 3 344.199 4.086 20 30 EIEDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000775913042 1054282399 /nfs/dbraw/zinc/28/23/99/1054282399.db2.gz GSEQZVCKNAVHTK-LBPRGKRZSA-N 0 3 345.240 4.186 20 30 EIEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052179 1054410285 /nfs/dbraw/zinc/41/02/85/1054410285.db2.gz UYTXJPFFSGZINQ-FOIQADDNSA-N 0 3 333.435 4.045 20 30 EIEDHN N#Cc1ccccc1O[C@H]1CCCN(Cc2c[nH]c3c2cccc3F)C1 ZINC001137059091 1054440477 /nfs/dbraw/zinc/44/04/77/1054440477.db2.gz MECZYXGSNASAHQ-KRWDZBQOSA-N 0 3 349.409 4.222 20 30 EIEDHN N#CCOc1ccc(Cl)cc1CN[C@H](c1ccccc1)C1CC1 ZINC000776016656 1054448945 /nfs/dbraw/zinc/44/89/45/1054448945.db2.gz QTRBBIHMTGMSPH-LJQANCHMSA-N 0 3 326.827 4.483 20 30 EIEDHN C#CCOc1ccc(CNCc2ccccc2CC(F)(F)F)cc1 ZINC000858329851 1054467098 /nfs/dbraw/zinc/46/70/98/1054467098.db2.gz GDZQWGVHUCYJDV-UHFFFAOYSA-N 0 3 333.353 4.093 20 30 EIEDHN COc1cc([C@H](C)NCc2ccc(C)c(C#N)c2)ccc1OC(F)F ZINC000859228613 1054647713 /nfs/dbraw/zinc/64/77/13/1054647713.db2.gz SWKXNHKAXMPMPN-ZDUSSCGKSA-N 0 3 346.377 4.328 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776164869 1054775804 /nfs/dbraw/zinc/77/58/04/1054775804.db2.gz KWWWPDPSDZHXGU-LPHOPBHVSA-N 0 3 349.434 4.121 20 30 EIEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21)C(F)(F)F ZINC000860470117 1054818589 /nfs/dbraw/zinc/81/85/89/1054818589.db2.gz NGUONKYHLFQTHW-FZMZJTMJSA-N 0 3 348.324 4.076 20 30 EIEDHN N#CCc1ccccc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201477853 1054831242 /nfs/dbraw/zinc/83/12/42/1054831242.db2.gz NTXUOCNGIQMYLJ-RTWAWAEBSA-N 0 3 329.447 4.485 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)oc2C)cc1 ZINC000131486553 1054861335 /nfs/dbraw/zinc/86/13/35/1054861335.db2.gz GGGKQLUBANZEEK-XIKOKIGWSA-N 0 3 338.407 4.371 20 30 EIEDHN CCCCCCCCCCN1CCN(CCc2ccncc2)CC1 ZINC001201875395 1054941431 /nfs/dbraw/zinc/94/14/31/1054941431.db2.gz XZITVHQWWHJPQI-UHFFFAOYSA-N 0 3 331.548 4.382 20 30 EIEDHN CS[C@@H](CNCc1cc(C#N)ccc1Br)C(C)(C)C ZINC001201970768 1054971452 /nfs/dbraw/zinc/97/14/52/1054971452.db2.gz KBTKIXTURZRMGL-AWEZNQCLSA-N 0 3 341.318 4.188 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc3ccccc3n2C)c1 ZINC000877047161 1055006273 /nfs/dbraw/zinc/00/62/73/1055006273.db2.gz YMDMOQAONOFIDQ-LJQANCHMSA-N 0 3 333.435 4.149 20 30 EIEDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000126640781 1055107819 /nfs/dbraw/zinc/10/78/19/1055107819.db2.gz ZTIPXEXKDYOOKT-KRWDZBQOSA-N 0 3 335.234 4.030 20 30 EIEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000877898981 1055148101 /nfs/dbraw/zinc/14/81/01/1055148101.db2.gz WYPLAMINJVFIPX-YADHBBJMSA-N 0 3 332.447 4.264 20 30 EIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccsc2)cc1 ZINC000131514679 1055241354 /nfs/dbraw/zinc/24/13/54/1055241354.db2.gz VHTDPRUNJNBNJT-WBMJQRKESA-N 0 3 326.421 4.223 20 30 EIEDHN CN(C)Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 ZINC000073491432 1055313555 /nfs/dbraw/zinc/31/35/55/1055313555.db2.gz ADASVXVVZPNWJU-FQEVSTJZSA-N 0 3 349.478 4.040 20 30 EIEDHN N#Cc1cc(C(F)(F)F)ccc1NC[C@H](c1ccco1)N1CCCC1 ZINC000301106725 1055896873 /nfs/dbraw/zinc/89/68/73/1055896873.db2.gz RFYURMOIYRSYRZ-MRXNPFEDSA-N 0 3 349.356 4.419 20 30 EIEDHN CCc1ccc([C@@H](CNc2cc(C(C)=O)ccc2C#N)N(C)C)cc1 ZINC000302008878 1056007467 /nfs/dbraw/zinc/00/74/67/1056007467.db2.gz BOUQYZBQRFDWSA-OAQYLSRUSA-N 0 3 335.451 4.038 20 30 EIEDHN CC(=O)c1ccc(C#N)c(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000302099612 1056016632 /nfs/dbraw/zinc/01/66/32/1056016632.db2.gz KTEIFSMHURERNL-KKSFZXQISA-N 0 3 347.462 4.083 20 30 EIEDHN CC(=O)c1ccc(C#N)c(N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000302134386 1056023412 /nfs/dbraw/zinc/02/34/12/1056023412.db2.gz ZJTYQQKSSAOKAZ-HRAATJIYSA-N 0 3 347.462 4.226 20 30 EIEDHN C#CCCCNCc1c(Cl)cccc1OCc1cccc(OC)c1 ZINC000742384995 1058588514 /nfs/dbraw/zinc/58/85/14/1058588514.db2.gz CBXQDBFKSDECEI-UHFFFAOYSA-N 0 3 343.854 4.431 20 30 EIEDHN CCO[C@@H]1C[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])C12CCCC2 ZINC000743043799 1058848171 /nfs/dbraw/zinc/84/81/71/1058848171.db2.gz ADTWWYLHFFOTGY-MRQPSRSCSA-N 0 3 344.499 4.395 20 30 EIEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000743473026 1059019864 /nfs/dbraw/zinc/01/98/64/1059019864.db2.gz JIXINXQLTORYSO-RBUKOAKNSA-N 0 3 349.478 4.289 20 30 EIEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743869126 1059179563 /nfs/dbraw/zinc/17/95/63/1059179563.db2.gz LSCYMGCTQGEDOK-HZPDHXFCSA-N 0 3 338.904 4.348 20 30 EIEDHN C#C[C@@H](N[C@H](C)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC001205990885 1060126578 /nfs/dbraw/zinc/12/65/78/1060126578.db2.gz XBQBYTWHTKKKBJ-FZKQIMNGSA-N 0 3 346.243 4.483 20 30 EIEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCc3ccccc3OC2)cc1 ZINC001169717259 1060916530 /nfs/dbraw/zinc/91/65/30/1060916530.db2.gz YVQZKKYEXDFNMQ-SFHVURJKSA-N 0 3 345.364 4.040 20 30 EIEDHN C#CCCCN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000766895537 1061056887 /nfs/dbraw/zinc/05/68/87/1061056887.db2.gz QCGMCASYCSDALO-HXUWFJFHSA-N 0 3 341.476 4.126 20 30 EIEDHN CCN(CC)[C@H](CNc1nc(Cl)c(C#N)s1)c1ccsc1 ZINC000804350658 1061177669 /nfs/dbraw/zinc/17/76/69/1061177669.db2.gz QOWLNGFIJOYGAG-LLVKDONJSA-N 0 3 340.905 4.225 20 30 EIEDHN CCN(CC)[C@@H](CNc1nc(Cl)c(C#N)s1)c1ccsc1 ZINC000804350659 1061179062 /nfs/dbraw/zinc/17/90/62/1061179062.db2.gz QOWLNGFIJOYGAG-NSHDSACASA-N 0 3 340.905 4.225 20 30 EIEDHN C[C@H]1CCc2c(C(=O)C(C#N)c3nc4ccccc4n3C)csc2C1 ZINC000122641266 222129103 /nfs/dbraw/zinc/12/91/03/222129103.db2.gz FLDDOXRTOXTIKJ-GXTWGEPZSA-N 0 3 349.459 4.250 20 30 EIEDHN C=C(C)CCc1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000508621708 1032270981 /nfs/dbraw/zinc/27/09/81/1032270981.db2.gz VHTUVDTWGILLBW-INIZCTEOSA-N 0 3 329.419 4.097 20 30 EIEDHN COc1ccc([C@@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000245937091 1032563440 /nfs/dbraw/zinc/56/34/40/1032563440.db2.gz AHDQXSYVDIRTKL-IERDGZPVSA-N 0 3 336.435 4.323 20 30 EIEDHN N#CC(C(=O)CCSc1nc2ccccc2s1)c1ccccn1 ZINC000049457090 1018763716 /nfs/dbraw/zinc/76/37/16/1018763716.db2.gz QAGOJEJGQHTVRI-GFCCVEGCSA-N 0 3 339.445 4.050 20 30 EIEDHN CCCCOc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000236713976 1032828231 /nfs/dbraw/zinc/82/82/31/1032828231.db2.gz SFGKCSHTYFXNKG-QGZVFWFLSA-N 0 3 338.451 4.446 20 30 EIEDHN CCCCn1ncc(C(=O)C(C#N)c2ccc3ccccc3n2)c1CC ZINC000683221054 1019492850 /nfs/dbraw/zinc/49/28/50/1019492850.db2.gz HAFIYXSDMXNGTP-MRXNPFEDSA-N 0 3 346.434 4.284 20 30 EIEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1cccc2ccccc21 ZINC000138527676 1020691367 /nfs/dbraw/zinc/69/13/67/1020691367.db2.gz ABLUOUVCLKDVII-IFMALSPDSA-N 0 3 349.478 4.031 20 30 EIEDHN N#CCCCOc1cccc(CN[C@@H]2CSCc3ccccc32)c1 ZINC000608861111 1020895917 /nfs/dbraw/zinc/89/59/17/1020895917.db2.gz TXUGTPWJLJAHMQ-HXUWFJFHSA-N 0 3 338.476 4.447 20 30 EIEDHN N#Cc1ccc(CN[C@H]2CCc3c2cccc3Br)s1 ZINC000176964553 1020941674 /nfs/dbraw/zinc/94/16/74/1020941674.db2.gz OTCHRMXMDPELEL-HNNXBMFYSA-N 0 3 333.254 4.159 20 30 EIEDHN C=C(C)CN(CCCc1cccc(OC)c1)Cc1cnn(C(C)C)c1 ZINC000512517224 1032972314 /nfs/dbraw/zinc/97/23/14/1032972314.db2.gz SAXJDZUSIBKXOA-UHFFFAOYSA-N 0 3 341.499 4.484 20 30 EIEDHN CN(Cc1cccc(C#N)c1)Cc1cccc(OCc2ccccn2)c1 ZINC000180048883 1021484977 /nfs/dbraw/zinc/48/49/77/1021484977.db2.gz GTSMNVTYOCEPJW-UHFFFAOYSA-N 0 3 343.430 4.164 20 30 EIEDHN N#Cc1ccc([C@@H](O)CN[C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000177743835 1021631924 /nfs/dbraw/zinc/63/19/24/1021631924.db2.gz DGCXZWCTGNKNPP-FCHUYYIVSA-N 0 3 346.405 4.110 20 30 EIEDHN C[C@H]1c2ccccc2CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180089899 1021711516 /nfs/dbraw/zinc/71/15/16/1021711516.db2.gz YEOQGOVVJPIXQZ-INIZCTEOSA-N 0 3 342.446 4.078 20 30 EIEDHN CCc1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)oc1CC ZINC000177946043 1021819669 /nfs/dbraw/zinc/81/96/69/1021819669.db2.gz YUYLAPLPATWAHS-AWEZNQCLSA-N 0 3 344.798 4.019 20 30 EIEDHN COc1cc(CN2[C@H](C)C[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000548096883 1022025538 /nfs/dbraw/zinc/02/55/38/1022025538.db2.gz RTXHMNDNJXFZND-HZPDHXFCSA-N 0 3 336.435 4.129 20 30 EIEDHN Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1F ZINC000181574001 1022379743 /nfs/dbraw/zinc/37/97/43/1022379743.db2.gz AKRUQDODNOSHOK-AWEZNQCLSA-N 0 3 334.398 4.042 20 30 EIEDHN N#CC(C(=O)c1cccc(Oc2ccc(Cl)cc2)c1)c1ccncn1 ZINC000545446867 1022685524 /nfs/dbraw/zinc/68/55/24/1022685524.db2.gz XVZYBTPIFVRNEZ-KRWDZBQOSA-N 0 3 349.777 4.412 20 30 EIEDHN CCC[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000193042054 1022687569 /nfs/dbraw/zinc/68/75/69/1022687569.db2.gz FDLDKYHNLVHSQR-FQEVSTJZSA-N 0 3 335.451 4.064 20 30 EIEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@H](OC(F)F)C2)cc1 ZINC000549077605 1022769818 /nfs/dbraw/zinc/76/98/18/1022769818.db2.gz BFSBYMGHILAZOH-KRWDZBQOSA-N 0 3 328.362 4.039 20 30 EIEDHN COc1ccc(CNCc2cccc(Cl)c2)cc1OCCCC#N ZINC000064613298 1022823310 /nfs/dbraw/zinc/82/33/10/1022823310.db2.gz GTBOOJCHILYJJI-UHFFFAOYSA-N 0 3 344.842 4.321 20 30 EIEDHN COc1ccc(CNCc2ccc(C)s2)cc1OCCCC#N ZINC000064614105 1022823470 /nfs/dbraw/zinc/82/34/70/1022823470.db2.gz MDEMRWFFCJFQFY-UHFFFAOYSA-N 0 3 330.453 4.038 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)CCOC3)s1 ZINC000659115357 1022845139 /nfs/dbraw/zinc/84/51/39/1022845139.db2.gz WKVYJARASNDEJI-OAHLLOKOSA-N 0 3 340.448 4.003 20 30 EIEDHN FC(F)(F)[C@H]1CN(CC2CCC(F)(F)CC2)C[C@H]1C(F)(F)F ZINC000656453374 1022921108 /nfs/dbraw/zinc/92/11/08/1022921108.db2.gz WRRIVELTXQMPDR-AOOOYVTPSA-N 0 3 339.270 4.485 20 30 EIEDHN C[C@H](NCc1ccc(COCC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000181453083 1023128631 /nfs/dbraw/zinc/12/86/31/1023128631.db2.gz FPXKSYHKNKBJHU-AWEZNQCLSA-N 0 3 348.368 4.488 20 30 EIEDHN C#CCN(CC#C)CCCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001167465009 1023260629 /nfs/dbraw/zinc/26/06/29/1023260629.db2.gz TZASJVHRMZAVCM-UHFFFAOYSA-N 0 3 337.413 4.445 20 30 EIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000417364703 1023290217 /nfs/dbraw/zinc/29/02/17/1023290217.db2.gz LOARBXMUPHWJAN-VBKZILBWSA-N 0 3 337.442 4.492 20 30 EIEDHN C=CCN(CC[C@@H]1Sc2ccccc2NC1=O)Cc1cccs1 ZINC000659816781 1023291888 /nfs/dbraw/zinc/29/18/88/1023291888.db2.gz UFOLPDRCRZSBHN-KRWDZBQOSA-N 0 3 344.505 4.239 20 30 EIEDHN CC[C@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(C#N)cc1 ZINC000377078002 1023367117 /nfs/dbraw/zinc/36/71/17/1023367117.db2.gz MYIMHSKNTSXUQK-IBGZPJMESA-N 0 3 334.398 4.124 20 30 EIEDHN CC[C@@H](N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1 ZINC000341218229 1023389666 /nfs/dbraw/zinc/38/96/66/1023389666.db2.gz ITXUHBYMAQUYFB-XBPCWFMRSA-N 0 3 341.499 4.047 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000123023356 1023434439 /nfs/dbraw/zinc/43/44/39/1023434439.db2.gz DTDCLMLHEKFVIW-FRRDWIJNSA-N 0 3 349.356 4.118 20 30 EIEDHN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1ccc(C#N)c(OC)c1 ZINC000565690471 1023461996 /nfs/dbraw/zinc/46/19/96/1023461996.db2.gz WDZVWBTZAQSJDL-IBGZPJMESA-N 0 3 336.435 4.088 20 30 EIEDHN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132721 1023468971 /nfs/dbraw/zinc/46/89/71/1023468971.db2.gz MKFJUBSZVOMJQN-GHTZIAJQSA-N 0 3 338.426 4.297 20 30 EIEDHN CC(C)Cc1ccc(C(=O)C2CCN([C@@H](C)CCC#N)CC2)cc1 ZINC000472763568 1023522538 /nfs/dbraw/zinc/52/25/38/1023522538.db2.gz ATYXWYSECGSMMK-KRWDZBQOSA-N 0 3 326.484 4.472 20 30 EIEDHN Cc1ccc(-c2n[nH]cc2CN[C@H]2CCCc3cc(C#N)ccc32)o1 ZINC000418136809 1023553392 /nfs/dbraw/zinc/55/33/92/1023553392.db2.gz AWTJMWLMMCBQQW-SFHVURJKSA-N 0 3 332.407 4.017 20 30 EIEDHN Cc1nn(C(C)(C)C)c(C)c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418140151 1023561217 /nfs/dbraw/zinc/56/12/17/1023561217.db2.gz FJWHCZHUNRLUBU-HXUWFJFHSA-N 0 3 336.483 4.294 20 30 EIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(C3(C#N)CC3)cc2)s1 ZINC000430643997 1023624210 /nfs/dbraw/zinc/62/42/10/1023624210.db2.gz SOZXSXLKZOMGOH-HNNXBMFYSA-N 0 3 349.459 4.486 20 30 EIEDHN COc1ccc2[nH]cc(C3=CCN(Cc4cccc(C#N)c4)CC3)c2c1 ZINC000047257228 1023877838 /nfs/dbraw/zinc/87/78/38/1023877838.db2.gz QXOJYPRRKMQRBH-UHFFFAOYSA-N 0 3 343.430 4.337 20 30 EIEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511799194 1023890924 /nfs/dbraw/zinc/89/09/24/1023890924.db2.gz FSFDEABOGLUBQT-XOKHGSTOSA-N 0 3 335.373 4.375 20 30 EIEDHN CC(C)(C)C[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000341589709 1023897771 /nfs/dbraw/zinc/89/77/71/1023897771.db2.gz GIACNMYNWWZNEN-INIZCTEOSA-N 0 3 341.480 4.325 20 30 EIEDHN CC[C@H](NCC1(CC#N)CC1)c1cc(F)cc(Br)c1 ZINC000430746372 1024002706 /nfs/dbraw/zinc/00/27/06/1024002706.db2.gz QBQPBJJRZHJGEE-AWEZNQCLSA-N 0 3 325.225 4.323 20 30 EIEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000430745258 1024004102 /nfs/dbraw/zinc/00/41/02/1024004102.db2.gz WLAVAVILNKKOEO-RDJZCZTQSA-N 0 3 346.446 4.118 20 30 EIEDHN CC(C)Oc1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000236719372 1024040583 /nfs/dbraw/zinc/04/05/83/1024040583.db2.gz AVNYVECVFPZXAB-UHFFFAOYSA-N 0 3 338.451 4.446 20 30 EIEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000661117148 1024251659 /nfs/dbraw/zinc/25/16/59/1024251659.db2.gz PESBYPPDWZIAPS-HIFRSBDPSA-N 0 3 337.423 4.306 20 30 EIEDHN C=CCCCCN[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000471889241 1024299474 /nfs/dbraw/zinc/29/94/74/1024299474.db2.gz WHNWBWNRYIENIW-HXUWFJFHSA-N 0 3 338.451 4.321 20 30 EIEDHN CCOc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341759801 1024626163 /nfs/dbraw/zinc/62/61/63/1024626163.db2.gz IDRVXHHCLLJFHB-IBGZPJMESA-N 0 3 336.435 4.133 20 30 EIEDHN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1Cl ZINC000341883077 1024863075 /nfs/dbraw/zinc/86/30/75/1024863075.db2.gz UMNDSTAPAVSZTK-GOSISDBHSA-N 0 3 326.827 4.387 20 30 EIEDHN COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000510978302 1024873848 /nfs/dbraw/zinc/87/38/48/1024873848.db2.gz LHCDDABYEQUUSW-ADLMAVQZSA-N 0 3 328.362 4.183 20 30 EIEDHN COCC1(C#N)CCN(Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000341988214 1025021633 /nfs/dbraw/zinc/02/16/33/1025021633.db2.gz HVLXCMATTQHZQH-UHFFFAOYSA-N 0 3 326.465 4.167 20 30 EIEDHN CC1CCC(N(Cc2ccc(C#N)cc2F)C[C@H]2CCCO2)CC1 ZINC000215663053 1025205869 /nfs/dbraw/zinc/20/58/69/1025205869.db2.gz KGHXMJSIKRIJEX-XUJQIHCRSA-N 0 3 330.447 4.257 20 30 EIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccccc1N1CCCCC1)CC2 ZINC000568571071 1025205986 /nfs/dbraw/zinc/20/59/86/1025205986.db2.gz WZOACXNNSXXJKW-OAQYLSRUSA-N 0 3 331.463 4.326 20 30 EIEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167500922 1025361451 /nfs/dbraw/zinc/36/14/51/1025361451.db2.gz XQDLOEFKYUHWRD-ZBFHGGJFSA-N 0 3 347.890 4.016 20 30 EIEDHN C=CCC[C@@H](NCC(=O)N(CC)CC)c1ccc(C(F)(F)F)cc1 ZINC000342195693 1025418138 /nfs/dbraw/zinc/41/81/38/1025418138.db2.gz CLGVVKGLWYNYRP-MRXNPFEDSA-N 0 3 342.405 4.171 20 30 EIEDHN CCCCCOc1cc(CNCc2cccc(C#N)c2)ccc1OC ZINC000066971945 1025618077 /nfs/dbraw/zinc/61/80/77/1025618077.db2.gz HJDNACJAAKADSX-UHFFFAOYSA-N 0 3 338.451 4.426 20 30 EIEDHN C[C@H](NCc1cccc(COCC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000182055590 1026021993 /nfs/dbraw/zinc/02/19/93/1026021993.db2.gz GZJNETMHVCIZFO-AWEZNQCLSA-N 0 3 348.368 4.488 20 30 EIEDHN C=CCOc1ccc(CNCc2cccc(Br)c2)cc1 ZINC000048817891 1026070484 /nfs/dbraw/zinc/07/04/84/1026070484.db2.gz AMXOLVLLRLIKDD-UHFFFAOYSA-N 0 3 332.241 4.304 20 30 EIEDHN C=CCOc1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000550275725 1026468285 /nfs/dbraw/zinc/46/82/85/1026468285.db2.gz DEQVYBXAZUECHQ-UHFFFAOYSA-N 0 3 337.341 4.282 20 30 EIEDHN N#Cc1ccc(CNCc2cccc(COCc3ccco3)c2)cc1 ZINC000048711877 1026575676 /nfs/dbraw/zinc/57/56/76/1026575676.db2.gz VJBPTQBNPPXTPV-UHFFFAOYSA-N 0 3 332.403 4.158 20 30 EIEDHN C=CCC1(NCc2nc3cc(Cl)ccc3c(=O)[nH]2)CCCCC1 ZINC000625935967 1026586988 /nfs/dbraw/zinc/58/69/88/1026586988.db2.gz UZOKXNQFATYFNA-UHFFFAOYSA-N 0 3 331.847 4.357 20 30 EIEDHN C=CCC1(NCc2nc3ccc(Cl)cc3c(=O)[nH]2)CCCCC1 ZINC000625935732 1026587723 /nfs/dbraw/zinc/58/77/23/1026587723.db2.gz LBTJKMWRZWDKDA-UHFFFAOYSA-N 0 3 331.847 4.357 20 30 EIEDHN O=C1C=C2CN(Cc3cc(Cl)ccc3C(F)(F)F)CCC2S1 ZINC001140565149 1026648984 /nfs/dbraw/zinc/64/89/84/1026648984.db2.gz LJPREWHZGSJUOF-CYBMUJFWSA-N 0 3 347.789 4.133 20 30 EIEDHN N#CC(C(=O)c1cncc(C(F)(F)F)c1)c1nccc2ccccc21 ZINC000344878742 1026691022 /nfs/dbraw/zinc/69/10/22/1026691022.db2.gz IZCVIXOYMAZXEB-HNNXBMFYSA-N 0 3 341.292 4.139 20 30 EIEDHN N#CC(C(=O)c1csc(Cl)c1)c1ccc(C(F)(F)F)cn1 ZINC000342707975 1026870519 /nfs/dbraw/zinc/87/05/19/1026870519.db2.gz YBFYGIITSSXCNL-SECBINFHSA-N 0 3 330.718 4.305 20 30 EIEDHN CSCC[C@H](C)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440608248 1026970191 /nfs/dbraw/zinc/97/01/91/1026970191.db2.gz IEABXXVEQWCEJN-ZDUSSCGKSA-N 0 3 331.403 4.010 20 30 EIEDHN CSc1ccc(CNCc2cc(C)nc3c2CCCC3)cc1C#N ZINC000896045669 1027178205 /nfs/dbraw/zinc/17/82/05/1027178205.db2.gz KHNCGFVAPWTXPV-UHFFFAOYSA-N 0 3 337.492 4.152 20 30 EIEDHN Cc1cc(CN2CCC(OCC3CCCCC3)CC2)ccc1C#N ZINC000582761109 1027280171 /nfs/dbraw/zinc/28/01/71/1027280171.db2.gz QCZBLVKPOARFQQ-UHFFFAOYSA-N 0 3 326.484 4.428 20 30 EIEDHN C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)C1CCCCC1 ZINC000185506876 1027402628 /nfs/dbraw/zinc/40/26/28/1027402628.db2.gz UMSKGMPXBKBRTD-HUUCEWRRSA-N 0 3 338.455 4.303 20 30 EIEDHN COCc1nc(CNCC(C)(C)CCC#N)c(-c2ccccc2)s1 ZINC000441379243 1027501656 /nfs/dbraw/zinc/50/16/56/1027501656.db2.gz JASRLSZYWORHOB-UHFFFAOYSA-N 0 3 343.496 4.376 20 30 EIEDHN C=CCC[C@H](NCc1ccc(S(=O)(=O)CC)cc1)c1ccccc1 ZINC000347332123 1027728324 /nfs/dbraw/zinc/72/83/24/1027728324.db2.gz KXQLXSLLKNQUBN-FQEVSTJZSA-N 0 3 343.492 4.277 20 30 EIEDHN CSc1ccccc1NC(=O)[C@@H](C)N[C@H]1CCC(=O)NC12CCC2 ZINC000328691822 1027793982 /nfs/dbraw/zinc/79/39/82/1027793982.db2.gz IYLWODPHPRKYES-DOMZBBRYSA-N 0 3 347.484 4.016 20 30 EIEDHN Cc1noc(C(C)C)c1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000328689964 1027796563 /nfs/dbraw/zinc/79/65/63/1027796563.db2.gz DGESSBSXGARJMI-UHFFFAOYSA-N 0 3 347.503 4.457 20 30 EIEDHN COc1ccc2cc(CN(C)Cc3ccc(F)c(C#N)c3)ccc2c1 ZINC000468278376 1027870817 /nfs/dbraw/zinc/87/08/17/1027870817.db2.gz SDWYAMXBGHJMNO-UHFFFAOYSA-N 0 3 334.394 4.491 20 30 EIEDHN CCN(Cc1ccc(F)cc1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000609432223 1027894494 /nfs/dbraw/zinc/89/44/94/1027894494.db2.gz UXYQFMZJUWIVMV-OAHLLOKOSA-N 0 3 326.415 4.159 20 30 EIEDHN C[C@@H]1CSCCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444640108 1027935593 /nfs/dbraw/zinc/93/55/93/1027935593.db2.gz BEEXBPNVLJQZDY-GOSISDBHSA-N 0 3 336.504 4.324 20 30 EIEDHN CC(C)[C@@H](CNC(=O)c1cc([O-])ccc1Cl)[NH+]1CCC(C)CC1 ZINC000331184015 1027938350 /nfs/dbraw/zinc/93/83/50/1027938350.db2.gz IEWRFUCVFWQEBK-QGZVFWFLSA-N 0 3 338.879 4.107 20 30 EIEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000583087664 1027971659 /nfs/dbraw/zinc/97/16/59/1027971659.db2.gz ZTUVBDNDUMWNNK-OKILXGFUSA-N 0 3 341.333 4.019 20 30 EIEDHN CCc1ccc2nccc(N3CCC(C#N)(c4ccccn4)CC3)c2c1 ZINC000564705508 1028029686 /nfs/dbraw/zinc/02/96/86/1028029686.db2.gz ZVVHRTWIKQHOKU-UHFFFAOYSA-N 0 3 342.446 4.254 20 30 EIEDHN CCN1CCCC[C@H]1CNC(=O)c1c(C)onc1-c1ccccc1C ZINC000330097356 1028200254 /nfs/dbraw/zinc/20/02/54/1028200254.db2.gz YHUUIEMOBNEMIV-INIZCTEOSA-N 0 3 341.455 4.137 20 30 EIEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000523564940 1028238204 /nfs/dbraw/zinc/23/82/04/1028238204.db2.gz DTCVTDHSTAPCSE-FQEVSTJZSA-N 0 3 343.515 4.039 20 30 EIEDHN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000330270298 1028240258 /nfs/dbraw/zinc/24/02/58/1028240258.db2.gz TXDZDNDXFJZXAP-UCLAIMLFSA-N 0 3 330.472 4.252 20 30 EIEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000330273326 1028243633 /nfs/dbraw/zinc/24/36/33/1028243633.db2.gz ZAMOEBPJFBOPGM-TZTCFGBESA-N 0 3 343.254 4.127 20 30 EIEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000524148139 1028706158 /nfs/dbraw/zinc/70/61/58/1028706158.db2.gz GKZMFWPYJQRSKS-ICSRJNTNSA-N 0 3 343.515 4.210 20 30 EIEDHN CC[C@@H]1CCCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000522712513 1028719101 /nfs/dbraw/zinc/71/91/01/1028719101.db2.gz UMFQEVBRRAWKQJ-LJQANCHMSA-N 0 3 341.499 4.062 20 30 EIEDHN N#CC1(CCCN2CCC(=Cc3ccccc3F)CC2)CCOCC1 ZINC000281873769 1028903636 /nfs/dbraw/zinc/90/36/36/1028903636.db2.gz CLMRBFDHIWYZPP-UHFFFAOYSA-N 0 3 342.458 4.405 20 30 EIEDHN CCCN(Cc1ccccc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343318613 1028934014 /nfs/dbraw/zinc/93/40/14/1028934014.db2.gz JRIUVMTXYSPKJY-IBGZPJMESA-N 0 3 349.478 4.234 20 30 EIEDHN CC[C@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000278347239 1028955810 /nfs/dbraw/zinc/95/58/10/1028955810.db2.gz YLKQXHMZEBCGEF-IERDGZPVSA-N 0 3 347.462 4.487 20 30 EIEDHN CC(C)[C@@H](CC(F)(F)F)NCc1ccc(C#N)cc1Br ZINC000445905300 1028994806 /nfs/dbraw/zinc/99/48/06/1028994806.db2.gz XXZZLRCNUWAUKS-CYBMUJFWSA-N 0 3 349.194 4.387 20 30 EIEDHN C=CCN1CCC(NC(=O)N(CCC)[C@H](CC)c2ccccc2)CC1 ZINC000522985660 1029146926 /nfs/dbraw/zinc/14/69/26/1029146926.db2.gz DPNOEEOPLPNDFZ-HXUWFJFHSA-N 0 3 343.515 4.210 20 30 EIEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCC2CCCCC2)c1 ZINC000127119800 1029585940 /nfs/dbraw/zinc/58/59/40/1029585940.db2.gz MWJRRHITTHYUCP-SFHVURJKSA-N 0 3 342.439 4.093 20 30 EIEDHN COc1cc(Br)ccc1[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000193343123 1029612089 /nfs/dbraw/zinc/61/20/89/1029612089.db2.gz NBJVWDJRUFMXPE-OBJOEFQTSA-N 0 3 337.261 4.191 20 30 EIEDHN C=C(C)CN1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000301183164 1029682699 /nfs/dbraw/zinc/68/26/99/1029682699.db2.gz PXYJMIZBLVLAFF-UHFFFAOYSA-N 0 3 333.785 4.206 20 30 EIEDHN COc1cccc2c1CC[C@@H]2NCc1cccc(OCCCC#N)c1 ZINC000151888651 1029835082 /nfs/dbraw/zinc/83/50/82/1029835082.db2.gz DYBJVZMYKXDQON-FQEVSTJZSA-N 0 3 336.435 4.155 20 30 EIEDHN C=CCN(CCC(=O)Nc1ccccc1Cl)Cc1cccs1 ZINC000054358739 1030098821 /nfs/dbraw/zinc/09/88/21/1030098821.db2.gz RKFSQGCIZKOHFR-UHFFFAOYSA-N 0 3 334.872 4.418 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@@H]1CCc2ccccc21 ZINC000892419238 1030738597 /nfs/dbraw/zinc/73/85/97/1030738597.db2.gz AICIQTQVENITCW-WMZOPIPTSA-N 0 3 343.430 4.260 20 30 EIEDHN COc1cc(CNCc2ccc(CC#N)cc2)cc(C(F)(F)F)c1 ZINC000527725350 1030826052 /nfs/dbraw/zinc/82/60/52/1030826052.db2.gz SWMADNIXKUWOOY-UHFFFAOYSA-N 0 3 334.341 4.070 20 30 EIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1CCC[C@H](C)C1 ZINC000531170462 1030938877 /nfs/dbraw/zinc/93/88/77/1030938877.db2.gz SENVCAWUQYVPMZ-DLBZAZTESA-N 0 3 348.560 4.163 20 30 EIEDHN CN(C)C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528012281 1031038400 /nfs/dbraw/zinc/03/84/00/1031038400.db2.gz SNYYRYCZYLRRRU-JDFRZJQESA-N 0 3 340.298 4.268 20 30 EIEDHN COc1ccc(CNC(C)(C)CC(F)(F)F)cc1OCCCC#N ZINC000614822398 1031092278 /nfs/dbraw/zinc/09/22/78/1031092278.db2.gz JEHSGWVVFDSRSN-UHFFFAOYSA-N 0 3 344.377 4.198 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)c(Cl)c2Cl)CC1 ZINC000448921478 1031250089 /nfs/dbraw/zinc/25/00/89/1031250089.db2.gz NGJXDECCUYXZSF-UHFFFAOYSA-N 0 3 341.282 4.072 20 30 EIEDHN COc1ccc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041536070 1031499271 /nfs/dbraw/zinc/49/92/71/1031499271.db2.gz PADLNHYZVHJXTG-INIZCTEOSA-N 0 3 334.400 4.309 20 30 EIEDHN CC1(C#N)CCC(N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000449219904 1031551848 /nfs/dbraw/zinc/55/18/48/1031551848.db2.gz OTPMHIYBIJDQIE-SNCIUUNGSA-N 0 3 347.462 4.428 20 30 EIEDHN N#CC(C(=O)c1ccc2c(c1)CCC2)c1nc(-c2ccncc2)cs1 ZINC000128832655 1031762458 /nfs/dbraw/zinc/76/24/58/1031762458.db2.gz AGMNKICADMTGBZ-KRWDZBQOSA-N 0 3 345.427 4.184 20 30 EIEDHN CC1(C)C[C@@H](C(=O)C(C#N)c2nc3ccccc3s2)C(C)(C)O1 ZINC000528915811 1031938528 /nfs/dbraw/zinc/93/85/28/1031938528.db2.gz UXTOMCNIPGVXAI-NEPJUHHUSA-N 0 3 328.437 4.066 20 30 EIEDHN C=CCOc1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000449765773 1031989406 /nfs/dbraw/zinc/98/94/06/1031989406.db2.gz KKYYQLNYWBTDDD-LJQANCHMSA-N 0 3 343.492 4.306 20 30 EIEDHN C=CCOc1cccc(CN[C@H](c2cccs2)C(C)(C)CO)c1 ZINC000453578811 1032025928 /nfs/dbraw/zinc/02/59/28/1032025928.db2.gz RGRYRIWVCPNTFN-GOSISDBHSA-N 0 3 331.481 4.162 20 30 EIEDHN C[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1F ZINC000512636901 1033580189 /nfs/dbraw/zinc/58/01/89/1033580189.db2.gz PNTXICSDGRSIFB-CJNGLKHVSA-N 0 3 343.833 4.280 20 30 EIEDHN CC(C)N(C(=O)CN[C@@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000433017908 1033663315 /nfs/dbraw/zinc/66/33/15/1033663315.db2.gz BKPCVHCPYFDFLL-FQEVSTJZSA-N 0 3 341.499 4.191 20 30 EIEDHN CCN(CC)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512673190 1033680968 /nfs/dbraw/zinc/68/09/68/1033680968.db2.gz PGLQWQDYZSGXQR-KSSFIOAISA-N 0 3 329.419 4.024 20 30 EIEDHN CCN(CC)[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccsc1 ZINC000512672790 1033684630 /nfs/dbraw/zinc/68/46/30/1033684630.db2.gz MLSJGNIIHDBQFR-KUHUBIRLSA-N 0 3 345.487 4.493 20 30 EIEDHN C=CCC(C)(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000429848327 1033762917 /nfs/dbraw/zinc/76/29/17/1033762917.db2.gz RTHYVERLHDRQQT-MRXNPFEDSA-N 0 3 334.529 4.240 20 30 EIEDHN C[C@@H](CCC#N)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000411398599 1033874732 /nfs/dbraw/zinc/87/47/32/1033874732.db2.gz CRIFTCIGLIAESD-DLBZAZTESA-N 0 3 344.503 4.454 20 30 EIEDHN CCOc1ccc([C@H]2CCCN2Cc2ccc(OCC#N)cc2)cc1 ZINC000729267405 1034767466 /nfs/dbraw/zinc/76/74/66/1034767466.db2.gz VEAFWAZNYVKOLU-OAQYLSRUSA-N 0 3 336.435 4.325 20 30 EIEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000595075613 1035588573 /nfs/dbraw/zinc/58/85/73/1035588573.db2.gz AOSIHHDEWVODER-RIEGTJTDSA-N 0 3 337.286 4.019 20 30 EIEDHN COc1ccc([C@H](C)[C@H](C)NCC2(C#N)CCCCC2)cc1OC ZINC000595092221 1035598898 /nfs/dbraw/zinc/59/88/98/1035598898.db2.gz ZNHCJJRLQVOWLG-CVEARBPZSA-N 0 3 330.472 4.259 20 30 EIEDHN CC(C)(C#N)CCCCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595828321 1035801251 /nfs/dbraw/zinc/80/12/51/1035801251.db2.gz JZWMHHDDLIZYBE-AWEZNQCLSA-N 0 3 329.271 4.336 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@@H](CC(C)C)c2ccccc2C)CC1 ZINC000491132027 1035816964 /nfs/dbraw/zinc/81/69/64/1035816964.db2.gz FHSHGDLFZVRMPM-FQEVSTJZSA-N 0 3 343.515 4.032 20 30 EIEDHN CCCN(CCOc1ccccc1C(C)=O)Cc1ccc(C#N)cc1 ZINC000502056879 1035817223 /nfs/dbraw/zinc/81/72/23/1035817223.db2.gz RJBVOZFTGGDTST-UHFFFAOYSA-N 0 3 336.435 4.052 20 30 EIEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1F ZINC000586796672 1035849363 /nfs/dbraw/zinc/84/93/63/1035849363.db2.gz SOGGSCGOTMFGJU-GVXVVHGQSA-N 0 3 325.225 4.321 20 30 EIEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1F ZINC000586796670 1035850312 /nfs/dbraw/zinc/85/03/12/1035850312.db2.gz SOGGSCGOTMFGJU-DMDPSCGWSA-N 0 3 325.225 4.321 20 30 EIEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)cc(C)c1OCc1ccccn1 ZINC000597173858 1036143594 /nfs/dbraw/zinc/14/35/94/1036143594.db2.gz LVXRSUNHTMDCBD-LJQANCHMSA-N 0 3 349.478 4.403 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2cc(C)sc2C)ccc1OC ZINC000760676259 1036195520 /nfs/dbraw/zinc/19/55/20/1036195520.db2.gz WNPXIRZQNGFUFQ-KRWDZBQOSA-N 0 3 344.480 4.344 20 30 EIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccs1 ZINC000129639662 1036361305 /nfs/dbraw/zinc/36/13/05/1036361305.db2.gz OVKZUDVPUIFWHD-VIFPVBQESA-N 0 3 339.203 4.016 20 30 EIEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000156813413 1036408840 /nfs/dbraw/zinc/40/88/40/1036408840.db2.gz GZKUZSDAVAKRAG-HIFRSBDPSA-N 0 3 346.477 4.137 20 30 EIEDHN C=CCOc1ccccc1CNC[C@H](c1ccccc1Cl)N(C)C ZINC000060830186 1036526331 /nfs/dbraw/zinc/52/63/31/1036526331.db2.gz JLAXJVXRZKRPHW-LJQANCHMSA-N 0 3 344.886 4.297 20 30 EIEDHN N#CCCC[C@H](N[C@H](c1nc[nH]n1)C1CCCCC1)c1ccccc1 ZINC000602672768 1036553577 /nfs/dbraw/zinc/55/35/77/1036553577.db2.gz ZTKWFLTZRISDRN-OALUTQOASA-N 0 3 337.471 4.451 20 30 EIEDHN N#CCCC[C@H]([NH2+][C@H](c1nnc[n-]1)C1CCCCC1)c1ccccc1 ZINC000602672768 1036553586 /nfs/dbraw/zinc/55/35/86/1036553586.db2.gz ZTKWFLTZRISDRN-OALUTQOASA-N 0 3 337.471 4.451 20 30 EIEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602791957 1036626178 /nfs/dbraw/zinc/62/61/78/1036626178.db2.gz YVCZIUZPCOAPCM-QGZVFWFLSA-N 0 3 336.483 4.490 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1cccs1)Cc1cccs1 ZINC000598585058 1036706967 /nfs/dbraw/zinc/70/69/67/1036706967.db2.gz PTWYNLKUQIGBCQ-CQSZACIVSA-N 0 3 334.510 4.113 20 30 EIEDHN Cc1cnccc1OC1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000589266791 1036725888 /nfs/dbraw/zinc/72/58/88/1036725888.db2.gz MOIFVQVZSGZPNR-UHFFFAOYSA-N 0 3 349.478 4.235 20 30 EIEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000598703387 1036749699 /nfs/dbraw/zinc/74/96/99/1036749699.db2.gz HDCQHIBUSKUYRY-RTBURBONSA-N 0 3 342.870 4.320 20 30 EIEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccncc3)C2)c(C(F)(F)F)c1 ZINC000589510883 1036813046 /nfs/dbraw/zinc/81/30/46/1036813046.db2.gz SQVWWFBZIZSDHK-INIZCTEOSA-N 0 3 345.368 4.037 20 30 EIEDHN Fc1ccc2cc(CNCC#Cc3ccc(C(F)(F)F)cc3)[nH]c2c1 ZINC000486698260 1036820732 /nfs/dbraw/zinc/82/07/32/1036820732.db2.gz HZHBOKYDXXJMTF-UHFFFAOYSA-N 0 3 346.327 4.467 20 30 EIEDHN COc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(C(F)(F)F)c1 ZINC000598963628 1036830666 /nfs/dbraw/zinc/83/06/66/1036830666.db2.gz AISHRCCEASWHKU-GFCCVEGCSA-N 0 3 334.341 4.436 20 30 EIEDHN N#Cc1ccc(CN[C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)s1 ZINC000421879452 1036831346 /nfs/dbraw/zinc/83/13/46/1036831346.db2.gz NEUSZBRFIZOJPC-UGSOOPFHSA-N 0 3 330.428 4.016 20 30 EIEDHN N#Cc1ccc(C2(NCc3coc4ccccc34)CCOCC2)cc1 ZINC000599002367 1036843509 /nfs/dbraw/zinc/84/35/09/1036843509.db2.gz UFDJXIIFIJCBEM-UHFFFAOYSA-N 0 3 332.403 4.100 20 30 EIEDHN COc1ccc([C@@H]2CCCN2Cc2ccc(C#N)c(C)c2)cc1OC ZINC000486799195 1036857918 /nfs/dbraw/zinc/85/79/18/1036857918.db2.gz DXFWMBPOBSYZRH-IBGZPJMESA-N 0 3 336.435 4.221 20 30 EIEDHN Cc1nc(Nc2cccc3c2OCC[C@H]3N(C)C)c(Cl)cc1C#N ZINC000589692106 1036867260 /nfs/dbraw/zinc/86/72/60/1036867260.db2.gz YGBSUDUMEBBAJF-MRXNPFEDSA-N 0 3 342.830 4.044 20 30 EIEDHN COc1ccc([C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C2CC2)cn1 ZINC000599095987 1036876903 /nfs/dbraw/zinc/87/69/03/1036876903.db2.gz JZQKMPBWFGDHKO-CTNGQTDRSA-N 0 3 333.435 4.080 20 30 EIEDHN N#CC1(C[C@H](O)CN[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000599420356 1036994981 /nfs/dbraw/zinc/99/49/81/1036994981.db2.gz FIEVLLFVABXGBV-BLLLJJGKSA-N 0 3 339.266 4.089 20 30 EIEDHN N#CC1(C[C@H](O)CN[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000599420357 1036996143 /nfs/dbraw/zinc/99/61/43/1036996143.db2.gz FIEVLLFVABXGBV-LRDDRELGSA-N 0 3 339.266 4.089 20 30 EIEDHN CC(C)(NCc1cc(C#N)cs1)c1ccc(Br)cc1 ZINC000093492354 1037079319 /nfs/dbraw/zinc/07/93/19/1037079319.db2.gz IUJUUEMBYRAVCE-UHFFFAOYSA-N 0 3 335.270 4.407 20 30 EIEDHN C=CCN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000604012598 1037147486 /nfs/dbraw/zinc/14/74/86/1037147486.db2.gz UMCMURLCKWFEGL-UHFFFAOYSA-N 0 3 332.425 4.113 20 30 EIEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc(-c2ccccc2)nn1C ZINC000590778503 1037162988 /nfs/dbraw/zinc/16/29/88/1037162988.db2.gz QSCBAJILSPRQAO-YWZLYKJASA-N 0 3 342.446 4.297 20 30 EIEDHN C=CCC[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000487596145 1037163626 /nfs/dbraw/zinc/16/36/26/1037163626.db2.gz OAVAZVQGGQOOAN-SFTDATJTSA-N 0 3 336.479 4.156 20 30 EIEDHN Cc1cc(CN2CC=C(c3c[nH]c4ncccc34)CC2)ccc1C#N ZINC000488213646 1037420632 /nfs/dbraw/zinc/42/06/32/1037420632.db2.gz SIXGNKDABCYHKP-UHFFFAOYSA-N 0 3 328.419 4.032 20 30 EIEDHN Cc1cc(CNC2(c3ccc(Cl)cc3)CCOCC2)ccc1C#N ZINC000488222560 1037422727 /nfs/dbraw/zinc/42/27/27/1037422727.db2.gz RVMADKKGOCBHFM-UHFFFAOYSA-N 0 3 340.854 4.316 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCC2CCCCC2)CC1 ZINC000604588135 1037448692 /nfs/dbraw/zinc/44/86/92/1037448692.db2.gz QOYOQWFVCSMDOX-QGZVFWFLSA-N 0 3 335.536 4.075 20 30 EIEDHN COc1ccc2ccccc2c1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000171562912 1037486069 /nfs/dbraw/zinc/48/60/69/1037486069.db2.gz URSPDGPXILCYIV-MRXNPFEDSA-N 0 3 346.430 4.429 20 30 EIEDHN C=CC[C@H](C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000488704523 1037716140 /nfs/dbraw/zinc/71/61/40/1037716140.db2.gz SHLOECJIGLNMJR-QIJUGHKUSA-N 0 3 348.490 4.298 20 30 EIEDHN N#CCc1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000592391600 1037794487 /nfs/dbraw/zinc/79/44/87/1037794487.db2.gz GJGJCOYWLLTLIF-SFHVURJKSA-N 0 3 326.827 4.410 20 30 EIEDHN C#CCCOc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000172116971 1037858617 /nfs/dbraw/zinc/85/86/17/1037858617.db2.gz RPJYASUYQOVEHU-FCHUYYIVSA-N 0 3 335.447 4.099 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)CC1 ZINC000489280544 1037922482 /nfs/dbraw/zinc/92/24/82/1037922482.db2.gz NJCBOLRYCFHQLM-LJQANCHMSA-N 0 3 343.515 4.032 20 30 EIEDHN CC[C@@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1 ZINC000423436383 1038236326 /nfs/dbraw/zinc/23/63/26/1038236326.db2.gz LVQMVIRRQACUNZ-MOPGFXCFSA-N 0 3 335.451 4.484 20 30 EIEDHN Cc1c([C@@H](C)N[C@H](C)CC(C)(C)C#N)cnn1-c1ccc(F)cc1 ZINC000924849740 1038267457 /nfs/dbraw/zinc/26/74/57/1038267457.db2.gz OBTVQPQHAIEXBY-ZIAGYGMSSA-N 0 3 328.435 4.299 20 30 EIEDHN C=CCCCCCN(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000606966325 1038325386 /nfs/dbraw/zinc/32/53/86/1038325386.db2.gz KZVRWDAPPLPZAB-HXUWFJFHSA-N 0 3 343.515 4.211 20 30 EIEDHN CC(C)CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594429539 1038330738 /nfs/dbraw/zinc/33/07/38/1038330738.db2.gz UARUUEWMOLYERC-ROUUACIJSA-N 0 3 349.906 4.345 20 30 EIEDHN N#CCCCC[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000594433531 1038332290 /nfs/dbraw/zinc/33/22/90/1038332290.db2.gz GJNLVYOSUXZFRC-ROUUACIJSA-N 0 3 347.890 4.099 20 30 EIEDHN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594434214 1038333579 /nfs/dbraw/zinc/33/35/79/1038333579.db2.gz XWBZMKDIJDPWKV-DYESRHJHSA-N 0 3 349.478 4.284 20 30 EIEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000594440142 1038335140 /nfs/dbraw/zinc/33/51/40/1038335140.db2.gz UUXJJSOILPWERO-QGZVFWFLSA-N 0 3 347.890 4.027 20 30 EIEDHN CC(C)Cc1ccc([C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)C)cc1 ZINC000594424889 1038341458 /nfs/dbraw/zinc/34/14/58/1038341458.db2.gz DKZWMDBAWKZUIM-UXHICEINSA-N 0 3 343.515 4.110 20 30 EIEDHN CC(C)(C#N)c1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000594496801 1038346301 /nfs/dbraw/zinc/34/63/01/1038346301.db2.gz WBVBSPHRCKYEOA-SFTDATJTSA-N 0 3 334.463 4.498 20 30 EIEDHN CCOc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000594495386 1038346579 /nfs/dbraw/zinc/34/65/79/1038346579.db2.gz RLZUXVAPTGDDEO-UHFFFAOYSA-N 0 3 338.451 4.185 20 30 EIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(-n2cccn2)cc1 ZINC000594517140 1038359318 /nfs/dbraw/zinc/35/93/18/1038359318.db2.gz VPNDPCIHLCWSHF-KRWDZBQOSA-N 0 3 342.446 4.474 20 30 EIEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594945129 1038516071 /nfs/dbraw/zinc/51/60/71/1038516071.db2.gz MJCHLLMGXWCXOY-OAHLLOKOSA-N 0 3 336.483 4.353 20 30 EIEDHN C=CCC[C@H](NCC(=O)N[C@H](C)CC)c1ccc(C(F)(F)F)cc1 ZINC000539331348 1038981277 /nfs/dbraw/zinc/98/12/77/1038981277.db2.gz JBVUWTXEWPNPIW-CJNGLKHVSA-N 0 3 342.405 4.217 20 30 EIEDHN C=CCC[C@H](NC[C@H](c1c(F)cccc1F)N(C)C)c1ccco1 ZINC000552048589 1039069227 /nfs/dbraw/zinc/06/92/27/1039069227.db2.gz XNSKFFHUNSXCJP-DLBZAZTESA-N 0 3 334.410 4.458 20 30 EIEDHN CCOc1ccc(C[C@H](C)C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000842293020 1039179357 /nfs/dbraw/zinc/17/93/57/1039179357.db2.gz GWKRQNIMTYMSDK-YOEHRIQHSA-N 0 3 348.402 4.282 20 30 EIEDHN C=C(C)CN1CCC(NC(=O)Nc2c(Cl)ccc(C)c2C)CC1 ZINC000434472554 1039497296 /nfs/dbraw/zinc/49/72/96/1039497296.db2.gz APXWBCJCRCKABU-UHFFFAOYSA-N 0 3 335.879 4.119 20 30 EIEDHN CC(C)COC1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000092223104 1039502512 /nfs/dbraw/zinc/50/25/12/1039502512.db2.gz BJIJZNYDUHWSDY-UHFFFAOYSA-N 0 3 330.472 4.006 20 30 EIEDHN N#CCCn1cc(CN2CCC[C@H]3CCC[C@@H]32)c(-c2ccccc2)n1 ZINC000092485440 1039550730 /nfs/dbraw/zinc/55/07/30/1039550730.db2.gz JLRCURYZBDVAFZ-XLIONFOSSA-N 0 3 334.467 4.228 20 30 EIEDHN C=C(C)[C@@H](NCCOc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000481606837 1039629353 /nfs/dbraw/zinc/62/93/53/1039629353.db2.gz SIPGWFBXWWUIIL-LJQANCHMSA-N 0 3 328.362 4.122 20 30 EIEDHN Cc1cccc([C@@H]2CCCN2Cc2cccc(OCCCC#N)c2)n1 ZINC000093445090 1039693878 /nfs/dbraw/zinc/69/38/78/1039693878.db2.gz XNDYDZYNIZBLKK-NRFANRHFSA-N 0 3 335.451 4.410 20 30 EIEDHN CN(C)c1cccc(CN(C)Cc2cccc(OCCCC#N)c2)c1 ZINC000093845668 1039761464 /nfs/dbraw/zinc/76/14/64/1039761464.db2.gz JJUXUIMKGIYCSL-UHFFFAOYSA-N 0 3 337.467 4.067 20 30 EIEDHN N#Cc1ccc2ncc(CN3CCC[C@H]3CCCc3ccccc3)n2c1 ZINC000537646886 1039802418 /nfs/dbraw/zinc/80/24/18/1039802418.db2.gz BQSRLZPGWLPHRJ-HXUWFJFHSA-N 0 3 344.462 4.193 20 30 EIEDHN C=C[C@H](CC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000505587000 1039983266 /nfs/dbraw/zinc/98/32/66/1039983266.db2.gz KZOZPHPTORHBIB-SVMVAKDDSA-N 0 3 336.479 4.154 20 30 EIEDHN CC[C@@H](c1ccc(Cl)cc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428780821 1040198495 /nfs/dbraw/zinc/19/84/95/1040198495.db2.gz CZSUWDXXQTWVCX-ROUUACIJSA-N 0 3 341.842 4.211 20 30 EIEDHN CC[C@H](C)N[C@@H](CNc1ncc(Cl)c(C)c1C#N)c1ccco1 ZINC000553603360 1040353199 /nfs/dbraw/zinc/35/31/99/1040353199.db2.gz BEXNOAMPCPZURX-NHYWBVRUSA-N 0 3 332.835 4.049 20 30 EIEDHN C[C@H](CC(C)(C)C#N)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000924723297 1040455466 /nfs/dbraw/zinc/45/54/66/1040455466.db2.gz ZRDQCXACQLOWAO-OAHLLOKOSA-N 0 3 327.472 4.233 20 30 EIEDHN CO[C@H](c1ccccc1F)[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000539609462 1040607412 /nfs/dbraw/zinc/60/74/12/1040607412.db2.gz HKHKKPXNGGWWBL-VPZZIHKRSA-N 0 3 330.378 4.263 20 30 EIEDHN Cc1cccc2[nH]c(CNC3(c4cccc(C#N)c4)CCOCC3)cc21 ZINC000594980277 1040723846 /nfs/dbraw/zinc/72/38/46/1040723846.db2.gz OGGOTPMMECKNOU-UHFFFAOYSA-N 0 3 345.446 4.144 20 30 EIEDHN Fc1cccc2[nH]c(CNCC#Cc3ccc(C(F)(F)F)cc3)cc21 ZINC000436288744 1041038635 /nfs/dbraw/zinc/03/86/35/1041038635.db2.gz FWGFBGBAKOFZPB-UHFFFAOYSA-N 0 3 346.327 4.467 20 30 EIEDHN C(#Cc1ccccc1)CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000484096198 1041114638 /nfs/dbraw/zinc/11/46/38/1041114638.db2.gz SRAGEAIMPYGIGH-FQEVSTJZSA-N 0 3 348.494 4.084 20 30 EIEDHN CC1(C)CN(CCCOc2cccc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000484353540 1041225082 /nfs/dbraw/zinc/22/50/82/1041225082.db2.gz SXJFMCQUQNKDEY-INIZCTEOSA-N 0 3 340.389 4.238 20 30 EIEDHN COc1ccc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1C#N ZINC000463037023 1041259181 /nfs/dbraw/zinc/25/91/81/1041259181.db2.gz VJEYPJFNPTWGMX-CABCVRRESA-N 0 3 326.362 4.120 20 30 EIEDHN C=CCN1CCC(NC(=O)[C@H](CC(C)C)c2ccc(Cl)cc2)CC1 ZINC000668369936 1041386937 /nfs/dbraw/zinc/38/69/37/1041386937.db2.gz IRWXLUQAPVBOPV-LJQANCHMSA-N 0 3 348.918 4.236 20 30 EIEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccc(-n2cccn2)cc1 ZINC000540434985 1041465469 /nfs/dbraw/zinc/46/54/69/1041465469.db2.gz AXFBFEBWRAHHPA-MRXNPFEDSA-N 0 3 335.838 4.228 20 30 EIEDHN C=CCC[C@H](NCC(=O)N[C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000540457689 1041478802 /nfs/dbraw/zinc/47/88/02/1041478802.db2.gz HNSVGNWRRXEHHD-UZLBHIALSA-N 0 3 340.442 4.300 20 30 EIEDHN Cc1ccc([C@H](Cn2ccnc2)N[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000540609151 1041561512 /nfs/dbraw/zinc/56/15/12/1041561512.db2.gz DKKTWCVJXMNQRC-AVRDEDQJSA-N 0 3 344.462 4.464 20 30 EIEDHN C[C@H](NC[C@H](c1ccco1)N1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000540700927 1041604208 /nfs/dbraw/zinc/60/42/08/1041604208.db2.gz ARHNIEQIUUMWGU-HNAYVOBHSA-N 0 3 341.430 4.168 20 30 EIEDHN CC1(N(Cc2ccc3c(c2)OCO3)Cc2ccc(C#N)cn2)CCCC1 ZINC000516660129 1041688072 /nfs/dbraw/zinc/68/80/72/1041688072.db2.gz MBKBHFMYUDSWPJ-UHFFFAOYSA-N 0 3 349.434 4.017 20 30 EIEDHN COc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1 ZINC000541090870 1041807431 /nfs/dbraw/zinc/80/74/31/1041807431.db2.gz XYGAKVYNPMDPGH-MRXNPFEDSA-N 0 3 343.430 4.480 20 30 EIEDHN COc1ccc([C@@H]2CCCN2Cc2ccc(CC#N)cc2)c(OC)c1 ZINC000541282752 1041882792 /nfs/dbraw/zinc/88/27/92/1041882792.db2.gz TUMQPWHMGOVRFR-FQEVSTJZSA-N 0 3 336.435 4.107 20 30 EIEDHN Cc1cccc(-c2n[nH]cc2CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000517338121 1041963777 /nfs/dbraw/zinc/96/37/77/1041963777.db2.gz HNRXXHNGKGQPFM-OAQYLSRUSA-N 0 3 342.446 4.424 20 30 EIEDHN C=CCN1CCC(NC(=O)C(C)(C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000438988054 1042452121 /nfs/dbraw/zinc/45/21/21/1042452121.db2.gz VTXSPBLAVTWKDA-UHFFFAOYSA-N 0 3 342.527 4.028 20 30 EIEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1c1cccc2ccccc21 ZINC000518595861 1042582562 /nfs/dbraw/zinc/58/25/62/1042582562.db2.gz ABLUOUVCLKDVII-RBBKRZOGSA-N 0 3 349.478 4.031 20 30 EIEDHN N#Cc1ccc(CN(Cc2ccc(OCC(F)F)cc2)C2CC2)cc1 ZINC000506557334 1042601415 /nfs/dbraw/zinc/60/14/15/1042601415.db2.gz XJTBCMGKOKAWLA-UHFFFAOYSA-N 0 3 342.389 4.367 20 30 EIEDHN Clc1ccc(C#CCN2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000426437348 1042701209 /nfs/dbraw/zinc/70/12/09/1042701209.db2.gz WPIDVRNLRNEKKS-HXUWFJFHSA-N 0 3 339.866 4.230 20 30 EIEDHN CC[C@H](C)CN(CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000177848082 1042852215 /nfs/dbraw/zinc/85/22/15/1042852215.db2.gz UUKCEJVYXSELCT-HOTGVXAUSA-N 0 3 347.528 4.387 20 30 EIEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000177852033 1042852569 /nfs/dbraw/zinc/85/25/69/1042852569.db2.gz BQOBZOZFKZJPKZ-CVEARBPZSA-N 0 3 347.528 4.245 20 30 EIEDHN CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000272162976 1042885129 /nfs/dbraw/zinc/88/51/29/1042885129.db2.gz BZNMFDDGGUFPMS-SFHVURJKSA-N 0 3 334.419 4.059 20 30 EIEDHN Cc1ccc(Br)cc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000190699075 1042974489 /nfs/dbraw/zinc/97/44/89/1042974489.db2.gz LNLRYANCIPNNDT-ZDUSSCGKSA-N 0 3 329.241 4.480 20 30 EIEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@H]1OCCc2ccccc21 ZINC000487403158 1043169953 /nfs/dbraw/zinc/16/99/53/1043169953.db2.gz VNQBYCZIHNUZOI-OAQYLSRUSA-N 0 3 334.463 4.234 20 30 EIEDHN CCS[C@@H]1CCC[C@@H]1NCc1ccc(Br)cc1C#N ZINC000311597255 1043310688 /nfs/dbraw/zinc/31/06/88/1043310688.db2.gz FPTDKLWEPMNPSX-LSDHHAIUSA-N 0 3 339.302 4.085 20 30 EIEDHN CCCCC[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000728063523 1043347684 /nfs/dbraw/zinc/34/76/84/1043347684.db2.gz RASHXLVSQAOGHC-LJQANCHMSA-N 0 3 333.439 4.012 20 30 EIEDHN C[C@H](N[C@@H](C)c1csc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000730018824 1043435062 /nfs/dbraw/zinc/43/50/62/1043435062.db2.gz AZZXZFRDUZUAEY-KBPBESRZSA-N 0 3 349.459 4.451 20 30 EIEDHN COCc1cc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)ccc1OC ZINC000272184370 1043453345 /nfs/dbraw/zinc/45/33/45/1043453345.db2.gz GFOCJVKVSQHFBS-OAHLLOKOSA-N 0 3 336.435 4.053 20 30 EIEDHN CCOc1ccccc1Oc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cn1 ZINC000442719569 1043821996 /nfs/dbraw/zinc/82/19/96/1043821996.db2.gz QISCUCKPEFRQBE-WBVHZDCISA-N 0 3 337.423 4.054 20 30 EIEDHN C[C@@H](CSc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000732496472 1043927418 /nfs/dbraw/zinc/92/74/18/1043927418.db2.gz WOEQTLQXIXIVJV-DZGCQCFKSA-N 0 3 336.416 4.432 20 30 EIEDHN C=CCN1CCC(NC(=O)c2ccccc2Nc2ccc(C)cc2)CC1 ZINC000521923337 1044073553 /nfs/dbraw/zinc/07/35/53/1044073553.db2.gz TZESIIRTZMPOPI-UHFFFAOYSA-N 0 3 349.478 4.119 20 30 EIEDHN N#CC1(c2ccccc2)CCN([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168714542 1044264143 /nfs/dbraw/zinc/26/41/43/1044264143.db2.gz CFBFDGFXPPUQOC-SFHVURJKSA-N 0 3 336.866 4.365 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccnc3ccccc23)c1 ZINC000733800699 1044317634 /nfs/dbraw/zinc/31/76/34/1044317634.db2.gz DNVFSAQTSVEFRN-GOSISDBHSA-N 0 3 331.419 4.206 20 30 EIEDHN C=CC[C@H](C)N[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000116907822 1044318419 /nfs/dbraw/zinc/31/84/19/1044318419.db2.gz NZDCDZITPLNMLQ-OXJNMPFZSA-N 0 3 338.451 4.319 20 30 EIEDHN CC(C)(C/N=C/c1cc(Cl)ccc1[O-])[N@@H+]1CCc2ccccc2C1 ZINC000914558309 1044481034 /nfs/dbraw/zinc/48/10/34/1044481034.db2.gz SOJGWCWDJKZDKP-WSDLNYQXSA-N 0 3 342.870 4.301 20 30 EIEDHN CC(C)(C/N=C/c1cc(Cl)ccc1[O-])[N@H+]1CCc2ccccc2C1 ZINC000914558309 1044481046 /nfs/dbraw/zinc/48/10/46/1044481046.db2.gz SOJGWCWDJKZDKP-WSDLNYQXSA-N 0 3 342.870 4.301 20 30 EIEDHN C#CCOc1ccc([C@@H](C)NCc2cc(OC)nc3ccccc23)cc1 ZINC000766197572 1044614619 /nfs/dbraw/zinc/61/46/19/1044614619.db2.gz FXRSQGLRRYHPBX-MRXNPFEDSA-N 0 3 346.430 4.106 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\Cc1cccc(C[NH+]2CCCC2)c1 ZINC000914702183 1044679753 /nfs/dbraw/zinc/67/97/53/1044679753.db2.gz YUQZYRHJZJDVMH-BKUYFWCQSA-N 0 3 328.843 4.261 20 30 EIEDHN C=CC[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)N(C)C)c1ccccc1 ZINC000495139932 1044714778 /nfs/dbraw/zinc/71/47/78/1044714778.db2.gz NDOSSRQKOFOATH-NHCUHLMSSA-N 0 3 336.479 4.074 20 30 EIEDHN N#CC(C(=O)C[C@H]1CCOc2ccccc21)c1ccc2ccccc2n1 ZINC000735592924 1044842743 /nfs/dbraw/zinc/84/27/43/1044842743.db2.gz FNNQTQFEDKCMJH-AEFFLSMTSA-N 0 3 342.398 4.367 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cc4ccccc4o3)nc21 ZINC000735791156 1044865599 /nfs/dbraw/zinc/86/55/99/1044865599.db2.gz VDPVTUWGFKQHAM-HNNXBMFYSA-N 0 3 329.359 4.037 20 30 EIEDHN Cc1cccc2nc(C(C#N)C(=O)Cc3cc4ccccc4o3)[nH]c21 ZINC000735791156 1044865600 /nfs/dbraw/zinc/86/56/00/1044865600.db2.gz VDPVTUWGFKQHAM-HNNXBMFYSA-N 0 3 329.359 4.037 20 30 EIEDHN CC(C)(C#N)CCCCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800113 1044894001 /nfs/dbraw/zinc/89/40/01/1044894001.db2.gz ATYUHAFVIOMWJM-OAQYLSRUSA-N 0 3 340.467 4.206 20 30 EIEDHN CCOc1ccc(O)c(/C=N\C[C@H](c2ccsc2)N(CC)CC)c1 ZINC000915114124 1045113880 /nfs/dbraw/zinc/11/38/80/1045113880.db2.gz DUCIKURORFXZPP-BDBXIWDTSA-N 0 3 346.496 4.354 20 30 EIEDHN COc1ccc2ccccc2c1CNCc1ccc(OCC#N)cc1 ZINC000074230977 1045160543 /nfs/dbraw/zinc/16/05/43/1045160543.db2.gz LTUGOGVJGYKAHB-UHFFFAOYSA-N 0 3 332.403 4.041 20 30 EIEDHN C=CC[C@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccncc1 ZINC000766017716 1045180761 /nfs/dbraw/zinc/18/07/61/1045180761.db2.gz CFTRGMNOAKVBQK-KXBFYZLASA-N 0 3 337.423 4.006 20 30 EIEDHN C=CC[C@H](N[C@@H](C)c1ccc(OCCOC)cc1)c1ccncc1 ZINC000766018211 1045192902 /nfs/dbraw/zinc/19/29/02/1045192902.db2.gz GPBSMTFYHYYKQE-JXFKEZNVSA-N 0 3 326.440 4.075 20 30 EIEDHN N#CCCCOc1cccc(CN2CCCc3sccc3C2)c1 ZINC000611271110 1045270724 /nfs/dbraw/zinc/27/07/24/1045270724.db2.gz DMCJTXPSHNJUKA-UHFFFAOYSA-N 0 3 326.465 4.379 20 30 EIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1CCOc2ccccc21 ZINC000611276542 1045272915 /nfs/dbraw/zinc/27/29/15/1045272915.db2.gz JCSVSKRXDQAIJS-TYPHKJRUSA-N 0 3 332.447 4.324 20 30 EIEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1Cl ZINC000611465925 1045312445 /nfs/dbraw/zinc/31/24/45/1045312445.db2.gz MRWCGGCTVMQXBL-XIKOKIGWSA-N 0 3 332.806 4.389 20 30 EIEDHN CC(C)(C)[C@@H](NC[C@@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168496201 1045415737 /nfs/dbraw/zinc/41/57/37/1045415737.db2.gz HBYZCAAVOOACEO-MOPGFXCFSA-N 0 3 344.405 4.247 20 30 EIEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000272341375 1045417508 /nfs/dbraw/zinc/41/75/08/1045417508.db2.gz ZQEOSIZGICRUQG-INIZCTEOSA-N 0 3 345.446 4.025 20 30 EIEDHN CCO[C@H](C(=O)C(C#N)c1nccc2ccccc21)c1ccccc1 ZINC000792100857 1045856905 /nfs/dbraw/zinc/85/69/05/1045856905.db2.gz MSMKVAYADPRQDO-NQIIRXRSSA-N 0 3 330.387 4.189 20 30 EIEDHN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1nccc2ccccc21 ZINC000792094153 1045862925 /nfs/dbraw/zinc/86/29/25/1045862925.db2.gz DCPZVJOWHMBJMQ-SQRWCISFSA-N 0 3 333.778 4.173 20 30 EIEDHN C#CCN(Cc1ccc(O[C@H](C)C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000179204421 1045949430 /nfs/dbraw/zinc/94/94/30/1045949430.db2.gz IQSVVYGSDDYLAB-VGOFRKELSA-N 0 3 330.431 4.100 20 30 EIEDHN N#CC1(c2ccccc2)CCC(NCC(=O)c2ccc(F)cc2)CC1 ZINC001170358943 1046013562 /nfs/dbraw/zinc/01/35/62/1046013562.db2.gz HJVVSKNNYDWBLJ-UHFFFAOYSA-N 0 3 336.410 4.002 20 30 EIEDHN N#CC1(c2ccccc2)CCC(N2CCC(=O)[C@@H]3CCCC[C@@H]32)CC1 ZINC001170379224 1046033653 /nfs/dbraw/zinc/03/36/53/1046033653.db2.gz UOYLZAHUYNHMJX-FGNUKQJGSA-N 0 3 336.479 4.224 20 30 EIEDHN C=CCCCCC[C@H](C)[NH2+][C@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000793564676 1046292948 /nfs/dbraw/zinc/29/29/48/1046292948.db2.gz JBAKCLHBPOLXBQ-JKSUJKDBSA-N 0 3 327.476 4.351 20 30 EIEDHN C=C(C)CN(C)Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000497177704 1046370212 /nfs/dbraw/zinc/37/02/12/1046370212.db2.gz DYAHRNRTYNKJLF-UHFFFAOYSA-N 0 3 341.451 4.291 20 30 EIEDHN N#CC(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc2ccccc2n1 ZINC000916848529 1046374421 /nfs/dbraw/zinc/37/44/21/1046374421.db2.gz LIJGWFVRHIXSCN-BZSNNMDCSA-N 0 3 330.362 4.354 20 30 EIEDHN N#CC(C(=O)CCC(=O)c1cccs1)c1ccc2ccccc2n1 ZINC000916849237 1046375432 /nfs/dbraw/zinc/37/54/32/1046375432.db2.gz RMXAKXVORAQYMI-CQSZACIVSA-N 0 3 334.400 4.136 20 30 EIEDHN COc1cc([C@H](C)NCc2ccc(C#N)cc2)ccc1OC(F)F ZINC000916833660 1046376444 /nfs/dbraw/zinc/37/64/44/1046376444.db2.gz VIEHBGAXQOBCFZ-LBPRGKRZSA-N 0 3 332.350 4.019 20 30 EIEDHN CCCCCCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000916903565 1046428428 /nfs/dbraw/zinc/42/84/28/1046428428.db2.gz PHZDFEFVSGKXHF-QGZVFWFLSA-N 0 3 328.456 4.429 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC000916913180 1046454451 /nfs/dbraw/zinc/45/44/51/1046454451.db2.gz NMTKWKIUZOONNY-KURKYZTESA-N 0 3 338.451 4.135 20 30 EIEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000917001397 1046551881 /nfs/dbraw/zinc/55/18/81/1046551881.db2.gz QARWXHMVGNHQAD-SFHVURJKSA-N 0 3 335.369 4.427 20 30 EIEDHN Cc1cccc([C@@H]2CCCN2Cc2cnc3ccc(C#N)cn23)c1C ZINC000536659091 1046605696 /nfs/dbraw/zinc/60/56/96/1046605696.db2.gz DEMFJJCYXLLNQG-FQEVSTJZSA-N 0 3 330.435 4.160 20 30 EIEDHN N#C[C@H]1CCC[C@@H]1NCCCCOc1ccccc1C(F)(F)F ZINC000459456612 1046691703 /nfs/dbraw/zinc/69/17/03/1046691703.db2.gz CDSJINICXSBTSO-HIFRSBDPSA-N 0 3 326.362 4.146 20 30 EIEDHN Cc1nc(F)ccc1CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000785508211 1046699597 /nfs/dbraw/zinc/69/95/97/1046699597.db2.gz NPSMCBJYCXOIMR-UHFFFAOYSA-N 0 3 331.394 4.358 20 30 EIEDHN CCN(CC)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1F ZINC000785617115 1046727647 /nfs/dbraw/zinc/72/76/47/1046727647.db2.gz KSVJYKVSXOHYTF-HXUWFJFHSA-N 0 3 337.442 4.321 20 30 EIEDHN N#CC(C(=O)CCC1CCCCC1)C(=O)NCc1cccc(Cl)c1 ZINC000786535060 1046845589 /nfs/dbraw/zinc/84/55/89/1046845589.db2.gz OFXBDCBVQKECBW-KRWDZBQOSA-N 0 3 346.858 4.026 20 30 EIEDHN CC(C)CCCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786534269 1046845722 /nfs/dbraw/zinc/84/57/22/1046845722.db2.gz JRUWCVOOKNEIDH-KRWDZBQOSA-N 0 3 348.874 4.272 20 30 EIEDHN CC[C@H](C)CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547627 1046851017 /nfs/dbraw/zinc/85/10/17/1046851017.db2.gz UUJSDAWZZSFYGV-YOEHRIQHSA-N 0 3 348.874 4.272 20 30 EIEDHN C=CCN(CCCOc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000917409139 1046874339 /nfs/dbraw/zinc/87/43/39/1046874339.db2.gz SXMLOVCNSYDNCB-UHFFFAOYSA-N 0 3 336.435 4.024 20 30 EIEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(N2CCCC2=O)cc1 ZINC000787025462 1046893891 /nfs/dbraw/zinc/89/38/91/1046893891.db2.gz GVQIFJBDJSXKRP-VFNWGFHPSA-N 0 3 345.446 4.023 20 30 EIEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000537030088 1046907485 /nfs/dbraw/zinc/90/74/85/1046907485.db2.gz YYLZBWOSCMDZRF-PBHICJAKSA-N 0 3 347.890 4.112 20 30 EIEDHN Cc1ccccc1[C@@H](NCC(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000537059577 1046910111 /nfs/dbraw/zinc/91/01/11/1046910111.db2.gz OPBVNWIAHIQXIJ-QFIPXVFZSA-N 0 3 349.478 4.229 20 30 EIEDHN COCCSc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000537104497 1046933414 /nfs/dbraw/zinc/93/34/14/1046933414.db2.gz CUZRFSJGOLOHAB-CQSZACIVSA-N 0 3 344.455 4.287 20 30 EIEDHN C[C@@H]1c2ccccc2CN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000746669403 1046980687 /nfs/dbraw/zinc/98/06/87/1046980687.db2.gz CONHDCIAHKNVQJ-CZUORRHYSA-N 0 3 347.443 4.049 20 30 EIEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420469 1047004854 /nfs/dbraw/zinc/00/48/54/1047004854.db2.gz HQFWLIYABNZAME-DOMZBBRYSA-N 0 3 326.362 4.140 20 30 EIEDHN C[C@@H]1C[C@@H]1c1ccc(CNCCSCc2ccccc2C#N)o1 ZINC000537215434 1047032427 /nfs/dbraw/zinc/03/24/27/1047032427.db2.gz FMMCNPBPWMYIGG-KDOFPFPSSA-N 0 3 326.465 4.298 20 30 EIEDHN C=CCN1CCC(N[C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497871120 1047147329 /nfs/dbraw/zinc/14/73/29/1047147329.db2.gz ZETRLFDBPZHZMR-JOCHJYFZSA-N 0 3 347.462 4.157 20 30 EIEDHN C#CCCN[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000760305726 1047305198 /nfs/dbraw/zinc/30/51/98/1047305198.db2.gz ZGMYZNIESNGFBB-QGZVFWFLSA-N 0 3 332.216 4.291 20 30 EIEDHN C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc[nH]1 ZINC000760446794 1047373435 /nfs/dbraw/zinc/37/34/35/1047373435.db2.gz WKDSVGOFQIUICM-MRXNPFEDSA-N 0 3 331.419 4.316 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000747362270 1047384328 /nfs/dbraw/zinc/38/43/28/1047384328.db2.gz VPBDTIRTMVARAX-LPKQHDGYSA-N 0 3 348.899 4.438 20 30 EIEDHN [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747362270 1047384337 /nfs/dbraw/zinc/38/43/37/1047384337.db2.gz VPBDTIRTMVARAX-LPKQHDGYSA-N 0 3 348.899 4.438 20 30 EIEDHN CCCSCC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000918489672 1047457000 /nfs/dbraw/zinc/45/70/00/1047457000.db2.gz MFPIVKHKPRYBPT-AWEZNQCLSA-N 0 3 330.478 4.438 20 30 EIEDHN N#Cc1ccccc1OCCN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000918738044 1047629805 /nfs/dbraw/zinc/62/98/05/1047629805.db2.gz YDQJTWOVUDCBKF-UHFFFAOYSA-N 0 3 343.430 4.208 20 30 EIEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC000814249115 1047919179 /nfs/dbraw/zinc/91/91/79/1047919179.db2.gz IXUYUHZDGVXWQM-HOTGVXAUSA-N 0 3 349.434 4.317 20 30 EIEDHN C=CCC[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000805900682 1048098349 /nfs/dbraw/zinc/09/83/49/1048098349.db2.gz SIDWVQCADGOSPY-FQEVSTJZSA-N 0 3 327.468 4.187 20 30 EIEDHN C=CCC[C@H](NCCOc1cccc(C(F)(F)F)n1)c1ccco1 ZINC000556886311 1048106713 /nfs/dbraw/zinc/10/67/13/1048106713.db2.gz SBVDARJAUSJITN-ZDUSSCGKSA-N 0 3 340.345 4.369 20 30 EIEDHN O=C1C=C2CN(Cc3ccc(C(F)(F)F)cc3Cl)CCC2S1 ZINC001143710353 1048170247 /nfs/dbraw/zinc/17/02/47/1048170247.db2.gz QVHMVDNZQSXZIU-ZDUSSCGKSA-N 0 3 347.789 4.133 20 30 EIEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccsc2C)ccc1OC ZINC000815126122 1048338859 /nfs/dbraw/zinc/33/88/59/1048338859.db2.gz HIKNHQXFHZAEPA-INIZCTEOSA-N 0 3 330.453 4.036 20 30 EIEDHN C=CC[C@@H](C)C(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC001144020895 1048369203 /nfs/dbraw/zinc/36/92/03/1048369203.db2.gz JFBZVRVVDPLPIL-APWZRJJASA-N 0 3 334.463 4.415 20 30 EIEDHN C=CCc1cc(CNCc2cc(C)c(O)c(C)c2)cc(OC)c1OC ZINC000809616139 1048422090 /nfs/dbraw/zinc/42/20/90/1048422090.db2.gz KFGNVBBEQCGABZ-UHFFFAOYSA-N 0 3 341.451 4.045 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001170593678 1048593310 /nfs/dbraw/zinc/59/33/10/1048593310.db2.gz NJHFHPLNJIYXIA-IFXJQAMLSA-N 0 3 326.827 4.426 20 30 EIEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)C(C)(F)F ZINC000815922665 1048635395 /nfs/dbraw/zinc/63/53/95/1048635395.db2.gz WSPHUWHAZBLYER-GWCFXTLKSA-N 0 3 345.374 4.149 20 30 EIEDHN Cc1cc(CN[C@H](C)c2ccc(N3CCCCC3=O)cc2)ccc1C#N ZINC000810132224 1048640967 /nfs/dbraw/zinc/64/09/67/1048640967.db2.gz JVHARHMGSZPEEV-QGZVFWFLSA-N 0 3 347.462 4.234 20 30 EIEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810130563 1048641142 /nfs/dbraw/zinc/64/11/42/1048641142.db2.gz VZFAFDZYKVUZTA-QGZVFWFLSA-N 0 3 347.462 4.234 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(SC)s2)c1 ZINC000810144657 1048648537 /nfs/dbraw/zinc/64/85/37/1048648537.db2.gz DKEHFFDMVZNOEZ-CQSZACIVSA-N 0 3 332.494 4.441 20 30 EIEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845442763 1048667388 /nfs/dbraw/zinc/66/73/88/1048667388.db2.gz PLVICVBXGXCPBH-QRVBRYPASA-N 0 3 346.430 4.313 20 30 EIEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1ccsc1Br ZINC001171183690 1048673734 /nfs/dbraw/zinc/67/37/34/1048673734.db2.gz ISPGOKDYLVMFKB-NSHDSACASA-N 0 3 335.270 4.103 20 30 EIEDHN Cc1cn(C)c2ccc(NC(=N)c3ccc4cc(O)ccc4c3)cc12 ZINC001171185432 1048681185 /nfs/dbraw/zinc/68/11/85/1048681185.db2.gz JXBYUDDDTGEWDA-UHFFFAOYSA-N 0 3 329.403 4.383 20 30 EIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000810225702 1048694363 /nfs/dbraw/zinc/69/43/63/1048694363.db2.gz KKOWDROQCCUNQI-GHTZIAJQSA-N 0 3 331.419 4.016 20 30 EIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC001135483773 1048744933 /nfs/dbraw/zinc/74/49/33/1048744933.db2.gz LVGYTEBJEVBDOV-HZSPNIEDSA-N 0 3 340.920 4.177 20 30 EIEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000763453519 1049081975 /nfs/dbraw/zinc/08/19/75/1049081975.db2.gz NYVGADMSUWAZKL-ROUUACIJSA-N 0 3 348.874 4.022 20 30 EIEDHN N#Cc1ccccc1OC1CCC(NCc2c(F)cccc2F)CC1 ZINC000609544839 1049147633 /nfs/dbraw/zinc/14/76/33/1049147633.db2.gz JBOJTYBJAKAWHC-UHFFFAOYSA-N 0 3 342.389 4.316 20 30 EIEDHN N#CCC[C@@H](NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000819184208 1049274548 /nfs/dbraw/zinc/27/45/48/1049274548.db2.gz WVHQRPYMZHFRPL-QZTJIDSGSA-N 0 3 348.368 4.373 20 30 EIEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2C)C(C)(C)C)CC1 ZINC000080121087 1049558964 /nfs/dbraw/zinc/55/89/64/1049558964.db2.gz DTBAMXJLGIXFMA-LJQANCHMSA-N 0 3 343.515 4.032 20 30 EIEDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1C#N ZINC000773076324 1049568759 /nfs/dbraw/zinc/56/87/59/1049568759.db2.gz LVCQIYWEBYLNKX-KRWDZBQOSA-N 0 3 349.478 4.408 20 30 EIEDHN COc1ccc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)cc1C#N ZINC000773082925 1049569931 /nfs/dbraw/zinc/56/99/31/1049569931.db2.gz IFPNDNJVNZAVTM-FQEVSTJZSA-N 0 3 348.446 4.059 20 30 EIEDHN Cc1ccc(O[C@@H](C)C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000813212826 1049707896 /nfs/dbraw/zinc/70/78/96/1049707896.db2.gz GMTNJZKEYIBTFL-SWLSCSKDSA-N 0 3 348.324 4.053 20 30 EIEDHN Cc1cccc(O[C@@H](C)C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000813215738 1049709072 /nfs/dbraw/zinc/70/90/72/1049709072.db2.gz JXHQLBLWIJGJMX-WFASDCNBSA-N 0 3 348.324 4.053 20 30 EIEDHN CC[C@H](OC1CCCC1)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215021 1049710392 /nfs/dbraw/zinc/71/03/92/1049710392.db2.gz HGPSBLDCEXYBMO-ZFWWWQNUSA-N 0 3 340.345 4.014 20 30 EIEDHN CCCC1(CN[C@H](CC)CC#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000813338234 1049754299 /nfs/dbraw/zinc/75/42/99/1049754299.db2.gz YCRVJOFSLVHGQT-MRXNPFEDSA-N 0 3 337.508 4.086 20 30 EIEDHN C=C[C@H](CC(=O)N(CCN(C)C)C1CCCCC1)c1ccccc1 ZINC001136627195 1049799571 /nfs/dbraw/zinc/79/95/71/1049799571.db2.gz ZYRACNIIMILISQ-GOSISDBHSA-N 0 3 328.500 4.069 20 30 EIEDHN C#CCN(CCCCc1ccc(Cl)c(Cl)c1)C1CSC1 ZINC001171867857 1049815567 /nfs/dbraw/zinc/81/55/67/1049815567.db2.gz PURIVPLRZKXXGH-UHFFFAOYSA-N 0 3 328.308 4.367 20 30 EIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000180068400 1049837866 /nfs/dbraw/zinc/83/78/66/1049837866.db2.gz WYOYHPCJSIBWMB-OAHLLOKOSA-N 0 3 335.432 4.312 20 30 EIEDHN N#CC1(c2ccccc2)CCN(Cc2ccnc3ccccc23)CC1 ZINC001204085096 1049863865 /nfs/dbraw/zinc/86/38/65/1049863865.db2.gz FNSLBJIZOWHAFL-UHFFFAOYSA-N 0 3 327.431 4.292 20 30 EIEDHN C[C@H](N)c1ncc(-c2ccccc2)n1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172295180 1049881870 /nfs/dbraw/zinc/88/18/70/1049881870.db2.gz BDVKGQWUEGUNEU-HOTGVXAUSA-N 0 3 330.435 4.245 20 30 EIEDHN C[C@@H](CCCC#N)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001172499313 1049922673 /nfs/dbraw/zinc/92/26/73/1049922673.db2.gz RCQGRPBHRAZZAZ-HNNXBMFYSA-N 0 3 334.423 4.076 20 30 EIEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1C1CCC2(CCCC2)CC1 ZINC001172728421 1049968090 /nfs/dbraw/zinc/96/80/90/1049968090.db2.gz CQSXCTRKWARBBO-IBGZPJMESA-N 0 3 343.515 4.025 20 30 EIEDHN CC(C)(C#N)CCCCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000618283290 1050328868 /nfs/dbraw/zinc/32/88/68/1050328868.db2.gz FZSDUFJBPIOOLM-GHMZBOCLSA-N 0 3 330.316 4.379 20 30 EIEDHN CCCCCCCC[C@H](CCC)N1CCC(S(C)(=O)=O)CC1 ZINC001173310279 1050404612 /nfs/dbraw/zinc/40/46/12/1050404612.db2.gz RVRJBKWOXOKVFS-KRWDZBQOSA-N 0 3 331.566 4.415 20 30 EIEDHN C=CCOC1CCC(N2CCO[C@@](C)(c3ccc(C)cc3)C2)CC1 ZINC001173326668 1050417231 /nfs/dbraw/zinc/41/72/31/1050417231.db2.gz MJJUHRDIMKIFTI-XVAXZDLZSA-N 0 3 329.484 4.056 20 30 EIEDHN C=CCOC1CCC(NCC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001173315002 1050438667 /nfs/dbraw/zinc/43/86/67/1050438667.db2.gz ZCQMXZZUGJLLFW-UHFFFAOYSA-N 0 3 342.266 4.280 20 30 EIEDHN CCOc1ccccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182092055 1050461010 /nfs/dbraw/zinc/46/10/10/1050461010.db2.gz HOPMAJKABBOLJO-UHFFFAOYSA-N 0 3 335.451 4.033 20 30 EIEDHN CC(C)Oc1ccccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182124098 1050496021 /nfs/dbraw/zinc/49/60/21/1050496021.db2.gz RVYGYMJAYKDSBK-UHFFFAOYSA-N 0 3 349.478 4.422 20 30 EIEDHN CC(C)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000618741641 1050500015 /nfs/dbraw/zinc/50/00/15/1050500015.db2.gz ISQXNMFCBYIOEE-IBGZPJMESA-N 0 3 335.407 4.367 20 30 EIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Br)s1 ZINC000618741888 1050502862 /nfs/dbraw/zinc/50/28/62/1050502862.db2.gz ISDXVIKFOMOGKK-CQSZACIVSA-N 0 3 333.254 4.159 20 30 EIEDHN N#Cc1ccc([C@H](O)CNC2(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000763502470 1050530511 /nfs/dbraw/zinc/53/05/11/1050530511.db2.gz NHTQQXGPTPXNSG-QGZVFWFLSA-N 0 3 347.245 4.177 20 30 EIEDHN CCCN(CC(=O)Nc1ccc(Cl)cc1)CC(C)(C)CCC#N ZINC000093363413 1050582464 /nfs/dbraw/zinc/58/24/64/1050582464.db2.gz QSQUKAXREJOKIO-UHFFFAOYSA-N 0 3 335.879 4.320 20 30 EIEDHN C#CCOc1cccc(Cl)c1CNCCC[C@@H]1CC1(Cl)Cl ZINC001179053727 1050618001 /nfs/dbraw/zinc/61/80/01/1050618001.db2.gz NQFSOGBAQXRFDJ-GFCCVEGCSA-N 0 3 346.685 4.416 20 30 EIEDHN CN1Cc2ccccc2[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508618 1050798250 /nfs/dbraw/zinc/79/82/50/1050798250.db2.gz PGPWIOOSJWHAQR-YADHBBJMSA-N 0 3 331.463 4.102 20 30 EIEDHN C=CCN(C/C=C/c1ccc(N(C)C)cc1)Cc1ccc(OC)cc1 ZINC001179966103 1050851568 /nfs/dbraw/zinc/85/15/68/1050851568.db2.gz GGFUCHWCKOOYPQ-VOTSOKGWSA-N 0 3 336.479 4.463 20 30 EIEDHN COc1cccc2c1CCC[C@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000619754954 1050884835 /nfs/dbraw/zinc/88/48/35/1050884835.db2.gz PDKVAYDLDIZEDL-GOSISDBHSA-N 0 3 326.827 4.387 20 30 EIEDHN CC[C@](C)(NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000775390454 1051193774 /nfs/dbraw/zinc/19/37/74/1051193774.db2.gz NJWTUTRHXQJAAS-IBGZPJMESA-N 0 3 341.842 4.065 20 30 EIEDHN C=C(C)Nc1ccccc1CN(C)C[C@H](O)c1ccc(Cl)cc1 ZINC001174794756 1051197617 /nfs/dbraw/zinc/19/76/17/1051197617.db2.gz IZAGRDQQDOGSNP-IBGZPJMESA-N 0 3 330.859 4.451 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000775407305 1051262976 /nfs/dbraw/zinc/26/29/76/1051262976.db2.gz DMOTYAAXBNQCLH-KNQAVFIVSA-N 0 3 345.446 4.406 20 30 EIEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001190781630 1051276731 /nfs/dbraw/zinc/27/67/31/1051276731.db2.gz UJCRRNAGEFAWBA-GOSISDBHSA-N 0 3 335.407 4.236 20 30 EIEDHN N#Cc1cccc(CN2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC001181699145 1051292211 /nfs/dbraw/zinc/29/22/11/1051292211.db2.gz ZQPWLIXAQWNEHK-HNNXBMFYSA-N 0 3 345.368 4.352 20 30 EIEDHN CC[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC001191232124 1051405252 /nfs/dbraw/zinc/40/52/52/1051405252.db2.gz GFZPXHNFXUQYQH-SFTDATJTSA-N 0 3 347.462 4.155 20 30 EIEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000155402913 1051415211 /nfs/dbraw/zinc/41/52/11/1051415211.db2.gz LGJNYORKRKWBGD-VIFPVBQESA-N 0 3 326.208 4.004 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCNc3ccccc32)c1 ZINC000774245224 1051521208 /nfs/dbraw/zinc/52/12/08/1051521208.db2.gz SBVKKQZUUNEQKK-UTKZUKDTSA-N 0 3 335.451 4.404 20 30 EIEDHN N#Cc1ccc(CN2CCC3(CCc4ccccc4C3)CC2)c(F)c1 ZINC001182712937 1051681626 /nfs/dbraw/zinc/68/16/26/1051681626.db2.gz DGSDQEWJIAOBNO-UHFFFAOYSA-N 0 3 334.438 4.468 20 30 EIEDHN CCc1cccc2cc(CN(C)C[C@@H](O)c3cccc(C#N)c3)oc21 ZINC001182763348 1051685176 /nfs/dbraw/zinc/68/51/76/1051685176.db2.gz CYNHYJWTFGVVOX-HXUWFJFHSA-N 0 3 334.419 4.032 20 30 EIEDHN N#CC1(CCCCN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC001192389751 1051711777 /nfs/dbraw/zinc/71/17/77/1051711777.db2.gz ILCJYPVYOHUOBD-UHFFFAOYSA-N 0 3 327.428 4.423 20 30 EIEDHN COC(=O)c1cccc(CN[C@@H](CCC(C)C)C(C)(C)C)c1C#N ZINC001192604115 1051775821 /nfs/dbraw/zinc/77/58/21/1051775821.db2.gz JSNRFARRJMBOSV-SFHVURJKSA-N 0 3 330.472 4.285 20 30 EIEDHN CCN1CCN(c2ccc(Nc3cc(Cl)cc(C#N)c3)cc2)CC1 ZINC001175781161 1051783373 /nfs/dbraw/zinc/78/33/73/1051783373.db2.gz DDGHJKBJXCWVTQ-UHFFFAOYSA-N 0 3 340.858 4.097 20 30 EIEDHN CC[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001193210563 1051887169 /nfs/dbraw/zinc/88/71/69/1051887169.db2.gz OIECMCVOJNRYAL-AVRDEDQJSA-N 0 3 333.479 4.216 20 30 EIEDHN C#CCC1(NCc2nc3c(s2)C(C)(C)CC(C)(C)C3)CCOCC1 ZINC001176262747 1051987912 /nfs/dbraw/zinc/98/79/12/1051987912.db2.gz NTBKHGCSNWIREU-UHFFFAOYSA-N 0 3 346.540 4.055 20 30 EIEDHN CC(C)(C)[C@@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000072605862 1052497295 /nfs/dbraw/zinc/49/72/95/1052497295.db2.gz WRVLDFFKJOZINI-IAGOWNOFSA-N 0 3 338.455 4.303 20 30 EIEDHN C(=NNCc1cnc2ccccc2c1)c1ccc(N2CCCCC2)cc1 ZINC000764777541 1053309606 /nfs/dbraw/zinc/30/96/06/1053309606.db2.gz DAACTMGEEJENLE-UHFFFAOYSA-N 0 3 344.462 4.349 20 30 EIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000850738230 1053343731 /nfs/dbraw/zinc/34/37/31/1053343731.db2.gz HXMWXKXFKJJPNN-ULQDDVLXSA-N 0 3 335.451 4.356 20 30 EIEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(Br)c2)cc1 ZINC000765461254 1053555790 /nfs/dbraw/zinc/55/57/90/1053555790.db2.gz LMTOTNAGDGBNMH-CQSZACIVSA-N 0 3 344.252 4.312 20 30 EIEDHN CC(C)(C)OC(=O)Nc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000852319285 1053567278 /nfs/dbraw/zinc/56/72/78/1053567278.db2.gz JKDDWLUYMIFWCR-OAHLLOKOSA-N 0 3 329.444 4.159 20 30 EIEDHN COc1ccc(CN(Cc2ccc(O[C@@H](C)C#N)cc2)C2CC2)cc1 ZINC000120723155 1053589511 /nfs/dbraw/zinc/58/95/11/1053589511.db2.gz YVAUGYMQAOSWJO-INIZCTEOSA-N 0 3 336.435 4.151 20 30 EIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCc3cc(OC)ccc32)c1 ZINC000866296312 1053681241 /nfs/dbraw/zinc/68/12/41/1053681241.db2.gz AJTIMPZMLGJUCT-UTKZUKDTSA-N 0 3 336.435 4.153 20 30 EIEDHN C#CCC1(NCc2cc(C#N)ccc2Br)CCCCC1 ZINC001198084973 1054068496 /nfs/dbraw/zinc/06/84/96/1054068496.db2.gz NFTGUPRDULBCRZ-UHFFFAOYSA-N 0 3 331.257 4.137 20 30 EIEDHN Cc1ccc2[nH]c([C@H]3CCCN(Cc4ccccc4C#N)C3)nc2c1 ZINC000130775392 1054139796 /nfs/dbraw/zinc/13/97/96/1054139796.db2.gz JTYPIOOXKIIPID-SFHVURJKSA-N 0 3 330.435 4.123 20 30 EIEDHN Cc1ccc2nc([C@H]3CCCN(Cc4ccccc4C#N)C3)[nH]c2c1 ZINC000130775392 1054139798 /nfs/dbraw/zinc/13/97/98/1054139798.db2.gz JTYPIOOXKIIPID-SFHVURJKSA-N 0 3 330.435 4.123 20 30 EIEDHN COc1cc2c(cc1OC)[C@@H](NCc1ccc(C#N)cc1)CCCC2 ZINC000872026269 1054340525 /nfs/dbraw/zinc/34/05/25/1054340525.db2.gz ZYYICZBKQXNMGZ-IBGZPJMESA-N 0 3 336.435 4.133 20 30 EIEDHN C#CC[C@H](CCOC)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000858334081 1054467148 /nfs/dbraw/zinc/46/71/48/1054467148.db2.gz RISBWBNAGDOWGO-CQSZACIVSA-N 0 3 340.448 4.074 20 30 EIEDHN N#Cc1ccc(C2CCN(Cc3ccc(N4CCCC4)o3)CC2)cc1 ZINC001137070456 1054523187 /nfs/dbraw/zinc/52/31/87/1054523187.db2.gz LWNQYRSWXSVFSG-UHFFFAOYSA-N 0 3 335.451 4.131 20 30 EIEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCc4c3cccc4Cl)nc21 ZINC000776090626 1054538245 /nfs/dbraw/zinc/53/82/45/1054538245.db2.gz ODJDDWISAHXRSP-GJZGRUSLSA-N 0 3 349.821 4.431 20 30 EIEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CCc4c3cccc4Cl)[nH]c21 ZINC000776090626 1054538258 /nfs/dbraw/zinc/53/82/58/1054538258.db2.gz ODJDDWISAHXRSP-GJZGRUSLSA-N 0 3 349.821 4.431 20 30 EIEDHN CC(C)OCc1ccccc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776161171 1054786050 /nfs/dbraw/zinc/78/60/50/1054786050.db2.gz UVZXERSSHRXZHR-KRWDZBQOSA-N 0 3 338.451 4.365 20 30 EIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2oc(C(F)F)cc2C)cc1 ZINC000860469781 1054819086 /nfs/dbraw/zinc/81/90/86/1054819086.db2.gz KSLVKPZNTNVSDK-ZDUSSCGKSA-N 0 3 346.333 4.049 20 30 EIEDHN CN(CCC#N)c1ccc(CNCc2ccccc2OC2CCC2)cc1 ZINC000118454759 1054980142 /nfs/dbraw/zinc/98/01/42/1054980142.db2.gz DVHRFAWKURBHDY-UHFFFAOYSA-N 0 3 349.478 4.258 20 30 EIEDHN C#CCCCCCCN[C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000877148781 1055027427 /nfs/dbraw/zinc/02/74/27/1055027427.db2.gz VCMNELCJVPNBKE-QGZVFWFLSA-N 0 3 326.444 4.002 20 30 EIEDHN N#CCOc1ccc(CN2CCC(c3ccc(F)cc3F)CC2)cc1 ZINC001137123773 1055089299 /nfs/dbraw/zinc/08/92/99/1055089299.db2.gz CEPAGHBOLXNSLD-UHFFFAOYSA-N 0 3 342.389 4.247 20 30 EIEDHN CCN(CCc1cccs1)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878014283 1055175108 /nfs/dbraw/zinc/17/51/08/1055175108.db2.gz JMCXRPZRNBAVEX-HXUWFJFHSA-N 0 3 340.492 4.053 20 30 EIEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](c2ccc(C)cc2)C1)c1ccccc1 ZINC000878405587 1055294912 /nfs/dbraw/zinc/29/49/12/1055294912.db2.gz IHBRZFCKTOVZGA-FYYLOGMGSA-N 0 3 346.474 4.225 20 30 EIEDHN N#CCC1(CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000878524387 1055332497 /nfs/dbraw/zinc/33/24/97/1055332497.db2.gz OPBUDUCYFUBLAD-UHFFFAOYSA-N 0 3 346.474 4.331 20 30 EIEDHN N#Cc1cc(NC[C@H](c2ccco2)N2CCCC2)ccc1C(F)(F)F ZINC000301747557 1055978750 /nfs/dbraw/zinc/97/87/50/1055978750.db2.gz RCUWRDXTQSNOLY-MRXNPFEDSA-N 0 3 349.356 4.419 20 30 EIEDHN C[C@@H](CNc1ccc2cc(C#N)ccc2n1)N1CCc2sccc2C1 ZINC000301991773 1056006491 /nfs/dbraw/zinc/00/64/91/1056006491.db2.gz YMZDHXOXRIESNE-AWEZNQCLSA-N 0 3 348.475 4.027 20 30 EIEDHN C=CCSCCN[C@@H]1CCc2c1c(Br)ccc2F ZINC000542827052 1056151642 /nfs/dbraw/zinc/15/16/42/1056151642.db2.gz NEYMEKCNODFOGL-CYBMUJFWSA-N 0 3 330.266 4.084 20 30 EIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000304224025 1056391973 /nfs/dbraw/zinc/39/19/73/1056391973.db2.gz FVQWDLLPWFFFKD-BTYIYWSLSA-N 0 3 338.426 4.204 20 30 EIEDHN CC(C)CNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934879 1056796351 /nfs/dbraw/zinc/79/63/51/1056796351.db2.gz ZKPMWUIQUTVMKV-SJORKVTESA-N 0 3 349.478 4.037 20 30 EIEDHN CC(C)CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934876 1056797509 /nfs/dbraw/zinc/79/75/09/1056797509.db2.gz ZKPMWUIQUTVMKV-DLBZAZTESA-N 0 3 349.478 4.037 20 30 EIEDHN CCOc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000075755777 1056810772 /nfs/dbraw/zinc/81/07/72/1056810772.db2.gz OMNQYGUQLPDCDF-CYBMUJFWSA-N 0 3 346.377 4.409 20 30 EIEDHN COc1cc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccn1 ZINC000542945358 1056829671 /nfs/dbraw/zinc/82/96/71/1056829671.db2.gz QRGNOIQNYCUJRJ-INIZCTEOSA-N 0 3 343.430 4.480 20 30 EIEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccc3cccnc32)c([O-])c1 ZINC000745012839 1059689952 /nfs/dbraw/zinc/68/99/52/1059689952.db2.gz ORRTXRIUEKSRHW-HYARGMPZSA-N 0 3 333.435 4.406 20 30 EIEDHN N#Cc1cccc(CN(Cc2ccccc2)C[C@H](O)c2ccccc2)c1 ZINC000746157946 1060051990 /nfs/dbraw/zinc/05/19/90/1060051990.db2.gz YPQMZGMVGXXMDC-QHCPKHFHSA-N 0 3 342.442 4.294 20 30 EIEDHN C#C[C@H](N[C@@H](C)CCc1cccnc1)c1ccc(Br)cc1 ZINC001205991011 1060273577 /nfs/dbraw/zinc/27/35/77/1060273577.db2.gz ZWDPAVJUVMNINQ-KSSFIOAISA-N 0 3 343.268 4.129 20 30 EIEDHN Cc1ccc(CCCCC(=O)C(C#N)C(=O)Nc2cccc(C)c2)cc1 ZINC000746417535 1060303422 /nfs/dbraw/zinc/30/34/22/1060303422.db2.gz ZOQFAIJHXPMJIQ-HXUWFJFHSA-N 0 3 348.446 4.364 20 30 EIEDHN Cc1ccc(N2CCN(CCCCC3(C#N)CCC3)CC2)cc1C ZINC001168919429 1060521990 /nfs/dbraw/zinc/52/19/90/1060521990.db2.gz ZPLNMBWYFWTDQN-UHFFFAOYSA-N 0 3 325.500 4.290 20 30 EIEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC001169676616 1060894176 /nfs/dbraw/zinc/89/41/76/1060894176.db2.gz RVZKYRCXQWXERN-HXUWFJFHSA-N 0 3 343.515 4.033 20 30 EIEDHN C#CCCCN(CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000766894300 1061056347 /nfs/dbraw/zinc/05/63/47/1061056347.db2.gz AGGKTGIUOFSNTH-UHFFFAOYSA-N 0 3 327.255 4.057 20 30 EIEDHN C#CCCCN(CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000766895506 1061056457 /nfs/dbraw/zinc/05/64/57/1061056457.db2.gz OHKPNIOIHZTPBE-UHFFFAOYSA-N 0 3 327.255 4.057 20 30 EIEDHN C[C@H]1CCc2c(C(=O)C(C#N)c3nc4ccccc4n3C)csc2C1 ZINC000122641715 222129178 /nfs/dbraw/zinc/12/91/78/222129178.db2.gz FLDDOXRTOXTIKJ-JSGCOSHPSA-N 0 3 349.459 4.250 20 30 EIEDHN