smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])ccc1OC ZINC000902014580 980692327 /nfs/dbraw/zinc/69/23/27/980692327.db2.gz WYZROGDJXNLYES-BXWFABGCSA-N 0 1 345.439 3.335 20 30 EGEDMN C=C(C)CC[N@H+](C)[C@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001588559972 983641015 /nfs/dbraw/zinc/64/10/15/983641015.db2.gz WQMMAADPDLKDMC-AWEZNQCLSA-N 0 1 342.233 3.481 20 30 EGEDMN CC[N@@H+](CCCN[C@@H](C(=O)[O-])c1ccc(C#N)cc1)C1CCCCC1 ZINC001596328604 983764715 /nfs/dbraw/zinc/76/47/15/983764715.db2.gz SJOOKLGTNOHNIK-LJQANCHMSA-N 0 1 343.471 3.318 20 30 EGEDMN C=CC[C@H](C(=O)[O-])[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC001588730403 983998474 /nfs/dbraw/zinc/99/84/74/983998474.db2.gz YXDREZBFZQQTLN-GLQYFDAESA-N 0 1 343.345 3.497 20 30 EGEDMN C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC001599927059 985217142 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C[C@H]1[C@H](C)N(C(=O)c2ccccc2-c2ccccc2C#N)CCN1C ZINC000356832790 291299461 /nfs/dbraw/zinc/29/94/61/291299461.db2.gz AACFOCDVERBBGN-HOTGVXAUSA-N 0 1 333.435 3.390 20 30 EGEDMN COCCN(Cc1ccc(C#N)cc1)Cc1cccc(NC(C)=O)c1 ZINC000101547027 204010061 /nfs/dbraw/zinc/01/00/61/204010061.db2.gz MKQZALSXQJIOLR-UHFFFAOYSA-N 0 1 337.423 3.165 20 30 EGEDMN CN1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000264200616 246174373 /nfs/dbraw/zinc/17/43/73/246174373.db2.gz QHRLBBHEUZVZQJ-UHFFFAOYSA-N 0 1 335.407 3.128 20 30 EGEDMN CC(C)[C@@]1(CO)CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000377657479 169055434 /nfs/dbraw/zinc/05/54/34/169055434.db2.gz UYZJKWSEOBTFDP-INIZCTEOSA-N 0 1 337.261 3.161 20 30 EGEDMN COc1ccc(CN[C@H](CN2CCCC2=O)c2ccccc2)cc1C#N ZINC000174275588 207006534 /nfs/dbraw/zinc/00/65/34/207006534.db2.gz SAANQMACMKUTCP-LJQANCHMSA-N 0 1 349.434 3.020 20 30 EGEDMN Cc1ccc([C@H](C)N[C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000176721374 207253681 /nfs/dbraw/zinc/25/36/81/207253681.db2.gz HKIIZRQXAQTHSK-BBRMVZONSA-N 0 1 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C[C@@H](C(=O)N(C)CCC#N)N1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000593067560 459763188 /nfs/dbraw/zinc/76/31/88/459763188.db2.gz VELMPBASBXGNBC-KGLIPLIRSA-N 0 1 333.863 3.062 20 30 EGEDMN CCc1ccc(CN(C)C(=O)CN2CCC(CCC#N)CC2)cc1 ZINC000564915911 459779779 /nfs/dbraw/zinc/77/97/79/459779779.db2.gz FCYOXOVICHXCPG-UHFFFAOYSA-N 0 1 327.472 3.223 20 30 EGEDMN CC1(C)CCN(CC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)C1 ZINC000565724934 459788439 /nfs/dbraw/zinc/78/84/39/459788439.db2.gz LJBWTABBIZOVOR-CQSZACIVSA-N 0 1 340.254 3.406 20 30 EGEDMN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)[C@H]1C1CC1 ZINC000528919449 459817769 /nfs/dbraw/zinc/81/77/69/459817769.db2.gz MLOFBBJACMKWAS-ATLFLLQCSA-N 0 1 334.778 3.419 20 30 EGEDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)CC(C)(C)C#N ZINC000529703064 459835101 /nfs/dbraw/zinc/83/51/01/459835101.db2.gz UUPGAOBBSOXUNT-GOSISDBHSA-N 0 1 327.472 3.295 20 30 EGEDMN CCC[C@H](CC)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593329788 459847791 /nfs/dbraw/zinc/84/77/91/459847791.db2.gz CBJLBZVFRWBZSY-SFHVURJKSA-N 0 1 342.487 3.401 20 30 EGEDMN CC(C)(C)CCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593353267 459859196 /nfs/dbraw/zinc/85/91/96/459859196.db2.gz IZNVLSVMRBEHKE-UHFFFAOYSA-N 0 1 327.472 3.465 20 30 EGEDMN C[C@H]1CCC[C@@H]1CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593351979 459859663 /nfs/dbraw/zinc/85/96/63/459859663.db2.gz XCZUPNOJZBNODG-QFBILLFUSA-N 0 1 339.483 3.465 20 30 EGEDMN C[C@@H]1CN(C(=O)NCC(C)(C)C#N)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000593387938 459874923 /nfs/dbraw/zinc/87/49/23/459874923.db2.gz APQUMAQHVYDMQU-IXDOHACOSA-N 0 1 342.487 3.229 20 30 EGEDMN CC(C)=CCCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593399348 459878320 /nfs/dbraw/zinc/87/83/20/459878320.db2.gz ZFXXJTNKANCROK-UHFFFAOYSA-N 0 1 340.471 3.178 20 30 EGEDMN CC[C@@H](C)CN(C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593511137 459911051 /nfs/dbraw/zinc/91/10/51/459911051.db2.gz HWJAYEWYLVDGAC-MRXNPFEDSA-N 0 1 342.487 3.210 20 30 EGEDMN CC(C)[C@H](C)N(C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593509252 459911267 /nfs/dbraw/zinc/91/12/67/459911267.db2.gz BYHKLNFHNAAYLT-INIZCTEOSA-N 0 1 342.487 3.209 20 30 EGEDMN CC(C)N(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C1CC1 ZINC000593512698 459911960 /nfs/dbraw/zinc/91/19/60/459911960.db2.gz SJVGALNALXGGAA-UHFFFAOYSA-N 0 1 340.471 3.105 20 30 EGEDMN Cc1nsc(NC2CCN(Cc3cccc(C#N)c3)CC2)c1C#N ZINC000593514945 459912641 /nfs/dbraw/zinc/91/26/41/459912641.db2.gz HKNZIESPHVKFON-UHFFFAOYSA-N 0 1 337.452 3.271 20 30 EGEDMN C[S@](=O)c1cccc(C(=O)C(C#N)c2ccc3ccccc3n2)c1 ZINC000613760080 459923155 /nfs/dbraw/zinc/92/31/55/459923155.db2.gz AWRBEWQSHXTAOB-FYSMJZIKSA-N 0 1 334.400 3.462 20 30 EGEDMN COc1cc(OC)c(CN[C@H]2CCc3cc(C#N)ccc32)cc1F ZINC000593622622 459935146 /nfs/dbraw/zinc/93/51/46/459935146.db2.gz ZKRDTWQVVLXTOW-KRWDZBQOSA-N 0 1 326.371 3.492 20 30 EGEDMN CCC(C)(C)N(C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593668091 459945434 /nfs/dbraw/zinc/94/54/34/459945434.db2.gz FDHDNEZWFOGAGC-UHFFFAOYSA-N 0 1 342.487 3.353 20 30 EGEDMN CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000598612924 459963422 /nfs/dbraw/zinc/96/34/22/459963422.db2.gz FROHFGRLBMSVBS-DLBZAZTESA-N 0 1 345.487 3.335 20 30 EGEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(OCC)CC1 ZINC000618443700 460011871 /nfs/dbraw/zinc/01/18/71/460011871.db2.gz ZCTTYVWZGOJSQW-HNNXBMFYSA-N 0 1 336.501 3.152 20 30 EGEDMN N#Cc1nnc2ccccc2c1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000610131101 460068212 /nfs/dbraw/zinc/06/82/12/460068212.db2.gz NRGJKFDTABQRLQ-UHFFFAOYSA-N 0 1 345.341 3.038 20 30 EGEDMN N#Cc1nnc2ccccc2c1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000610131101 460068223 /nfs/dbraw/zinc/06/82/23/460068223.db2.gz NRGJKFDTABQRLQ-UHFFFAOYSA-N 0 1 345.341 3.038 20 30 EGEDMN CC1(C)CC[C@@H]1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000597818725 460071520 /nfs/dbraw/zinc/07/15/20/460071520.db2.gz CMTPKBQMKHLZGS-GOSISDBHSA-N 0 1 325.456 3.075 20 30 EGEDMN CC(C)(C)OC(=O)CN(CCCC1(C#N)CCOCC1)C1CCC1 ZINC000594055567 460076708 /nfs/dbraw/zinc/07/67/08/460076708.db2.gz OLFXUVRNAXGKAR-UHFFFAOYSA-N 0 1 336.476 3.283 20 30 EGEDMN Cc1ccc(-c2cc(=NC(=O)c3cc4ccccc4n3CC#N)[nH][nH]2)o1 ZINC000618600423 460082342 /nfs/dbraw/zinc/08/23/42/460082342.db2.gz HLSYQVKWAYKMJE-UHFFFAOYSA-N 0 1 345.362 3.131 20 30 EGEDMN CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614293702 460083259 /nfs/dbraw/zinc/08/32/59/460083259.db2.gz VLZIAYULKWIASK-UHFFFAOYSA-N 0 1 337.423 3.036 20 30 EGEDMN C[C@H]1C[C@@H](NC(=O)c2cc(O)cc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000614300595 460085246 /nfs/dbraw/zinc/08/52/46/460085246.db2.gz LFRKEICTHNMAHV-KXBFYZLASA-N 0 1 349.434 3.047 20 30 EGEDMN C[C@H]1C[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000614300595 460085258 /nfs/dbraw/zinc/08/52/58/460085258.db2.gz LFRKEICTHNMAHV-KXBFYZLASA-N 0 1 349.434 3.047 20 30 EGEDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000598931179 460094125 /nfs/dbraw/zinc/09/41/25/460094125.db2.gz QBJVZDVSGNSCFI-SCLBCKFNSA-N 0 1 334.423 3.138 20 30 EGEDMN CCCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cc(C)on1 ZINC000610343559 460125097 /nfs/dbraw/zinc/12/50/97/460125097.db2.gz LBKJKUFCOBUBBI-WMLDXEAASA-N 0 1 340.427 3.125 20 30 EGEDMN CC[C@@H](CNC(=O)C(C#N)(CC)CC)N1CCc2ccccc2C1 ZINC000599042758 460138359 /nfs/dbraw/zinc/13/83/59/460138359.db2.gz HIFKQBMZIATDJR-SFHVURJKSA-N 0 1 327.472 3.269 20 30 EGEDMN C=CC[C@H](C(=O)N1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1 ZINC000614436549 460141017 /nfs/dbraw/zinc/14/10/17/460141017.db2.gz YGGRRUBQUUJOBX-UXHICEINSA-N 0 1 342.483 3.060 20 30 EGEDMN C=CCc1ccccc1OC[C@@H](O)CNCc1ccc(OC)cc1F ZINC000576508925 460156881 /nfs/dbraw/zinc/15/68/81/460156881.db2.gz LCFUYCOJINSHCJ-KRWDZBQOSA-N 0 1 345.414 3.092 20 30 EGEDMN N#Cc1csc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000610488749 460164013 /nfs/dbraw/zinc/16/40/13/460164013.db2.gz NMOPQNYGWUEBPH-LSDHHAIUSA-N 0 1 340.370 3.244 20 30 EGEDMN C[C@@H](CC#N)NCCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000602869153 460166631 /nfs/dbraw/zinc/16/66/31/460166631.db2.gz MTGJZRDIQUDRFC-KBXCAEBGSA-N 0 1 327.453 3.236 20 30 EGEDMN CCCCCN(Cc1ccc(F)cc1)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610561903 460184340 /nfs/dbraw/zinc/18/43/40/460184340.db2.gz FTBGGPVUACNNBZ-UHFFFAOYSA-N 0 1 343.406 3.077 20 30 EGEDMN Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3cccc(CC#N)c3)C2)cc1 ZINC000603034670 460225076 /nfs/dbraw/zinc/22/50/76/460225076.db2.gz YRUMYKLNPQVTSA-FQEVSTJZSA-N 0 1 348.450 3.457 20 30 EGEDMN COc1cc(C#N)ccc1CN1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599589518 460282046 /nfs/dbraw/zinc/28/20/46/460282046.db2.gz MNQXEJZJSPMDFG-RHSMWYFYSA-N 0 1 344.455 3.367 20 30 EGEDMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000603492550 460312459 /nfs/dbraw/zinc/31/24/59/460312459.db2.gz VLKRJZMTCUCYOZ-UHFFFAOYSA-N 0 1 336.800 3.215 20 30 EGEDMN N#Cc1ccccc1N1CCCN(Cc2n[nH]c3ccccc32)CC1 ZINC000611259096 460320569 /nfs/dbraw/zinc/32/05/69/460320569.db2.gz MXXWBRGECZNIKK-UHFFFAOYSA-N 0 1 331.423 3.147 20 30 EGEDMN COc1ccc(NC(=O)c2ccc(C#N)c(O)c2)c(Br)c1 ZINC000615428155 460326996 /nfs/dbraw/zinc/32/69/96/460326996.db2.gz CACGMADKYPNBJE-UHFFFAOYSA-N 0 1 347.168 3.287 20 30 EGEDMN N#Cc1ccc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1O ZINC000615429126 460327036 /nfs/dbraw/zinc/32/70/36/460327036.db2.gz RFBPDDLEAFQNDM-UHFFFAOYSA-N 0 1 328.278 3.261 20 30 EGEDMN C[C@@H](NCC(=O)Nc1nc2ccccc2s1)c1cccc(C#N)c1 ZINC000611387428 460351049 /nfs/dbraw/zinc/35/10/49/460351049.db2.gz NYDWWQLKUFEGDH-GFCCVEGCSA-N 0 1 336.420 3.457 20 30 EGEDMN CC(C)N(CC(F)(F)F)C(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611388324 460351339 /nfs/dbraw/zinc/35/13/39/460351339.db2.gz NLMRIEJYTDUZFA-GFCCVEGCSA-N 0 1 327.350 3.008 20 30 EGEDMN N#CCN1CCC(N[C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000611522841 460387488 /nfs/dbraw/zinc/38/74/88/460387488.db2.gz TWHRAMFTFYODMB-OAQYLSRUSA-N 0 1 346.434 3.495 20 30 EGEDMN COC[C@@H]1CCCCN(Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000613503463 460973831 /nfs/dbraw/zinc/97/38/31/460973831.db2.gz GPLJLBHTZMZGIJ-QGZVFWFLSA-N 0 1 338.455 3.301 20 30 EGEDMN C=CCOc1c(Cl)cc(CN2CC[C@](O)(CC)C2)cc1OC ZINC000628242004 461060700 /nfs/dbraw/zinc/06/07/00/461060700.db2.gz OSACMUZDIXISPQ-QGZVFWFLSA-N 0 1 325.836 3.260 20 30 EGEDMN C=CCOc1ccc(C[NH2+][C@H](C)c2nc(C(=O)[O-])cs2)cc1OC ZINC000630463315 461136309 /nfs/dbraw/zinc/13/63/09/461136309.db2.gz AUWMPHOARHFLCX-LLVKDONJSA-N 0 1 348.424 3.266 20 30 EGEDMN C=CCCOCC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000633774420 461257248 /nfs/dbraw/zinc/25/72/48/461257248.db2.gz KSBPPCZYUPEJAY-OAHLLOKOSA-N 0 1 344.377 3.017 20 30 EGEDMN C=C(C)COc1cc(CN[C@@H](C)[C@H](O)C(F)(F)F)ccc1OC ZINC000631231268 461657995 /nfs/dbraw/zinc/65/79/95/461657995.db2.gz FSPSTVPOERIFIE-NHYWBVRUSA-N 0 1 333.350 3.051 20 30 EGEDMN C=CCCC(C)(C)NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000663739760 461782108 /nfs/dbraw/zinc/78/21/08/461782108.db2.gz UUWCPLYESQLAQW-UHFFFAOYSA-N 0 1 330.476 3.090 20 30 EGEDMN C=CC[C@H]1CCCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000664158553 461963087 /nfs/dbraw/zinc/96/30/87/461963087.db2.gz VGJLZEYQFCQVFN-ZDUSSCGKSA-N 0 1 343.406 3.109 20 30 EGEDMN C=CC[C@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000664158553 461963089 /nfs/dbraw/zinc/96/30/89/461963089.db2.gz VGJLZEYQFCQVFN-ZDUSSCGKSA-N 0 1 343.406 3.109 20 30 EGEDMN C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000661378425 462222833 /nfs/dbraw/zinc/22/28/33/462222833.db2.gz GKSDAJHZYVMQGA-GJZGRUSLSA-N 0 1 332.444 3.319 20 30 EGEDMN C=CC[C@H]1CCCN(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000661380023 462225522 /nfs/dbraw/zinc/22/55/22/462225522.db2.gz CXGLVKVVCRCLCX-LBPRGKRZSA-N 0 1 338.249 3.071 20 30 EGEDMN C=CCOc1cccc(CN[C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000131672379 546808610 /nfs/dbraw/zinc/80/86/10/546808610.db2.gz TXWHJJNSYANPFE-IBGZPJMESA-N 0 1 328.456 3.275 20 30 EGEDMN Cc1nc2ccccc2n1CC[NH+]=C([O-])N1CCC[C@H](C2CC2)C1 ZINC000329329434 547494955 /nfs/dbraw/zinc/49/49/55/547494955.db2.gz KZMMIZLRLXMJFI-INIZCTEOSA-N 0 1 326.444 3.381 20 30 EGEDMN C=C(C)COc1cc(CN2CC[C@H](n3cccn3)C2)ccc1OC ZINC000365844945 547778552 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C=CCC(C)(C)C(=O)N1CCC(OC2CN(CCC(C)C)C2)CC1 ZINC001105726431 1366586556 /nfs/dbraw/zinc/58/65/56/1366586556.db2.gz KQAHPTJRMMZCHT-UHFFFAOYSA-N 0 1 336.520 3.327 20 30 EGEDMN C=CCCCN1CC(OC2CCN(C(=O)[C@H](CC)CCC)CC2)C1 ZINC001105730577 1366587541 /nfs/dbraw/zinc/58/75/41/1366587541.db2.gz PNVRMTRKSZZAQY-QGZVFWFLSA-N 0 1 336.520 3.471 20 30 EGEDMN C[C@]1(CNC(=O)CCC2CC2)CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001324921216 1387825366 /nfs/dbraw/zinc/82/53/66/1387825366.db2.gz LVOGWFCJLJHIDB-OAQYLSRUSA-N 0 1 339.483 3.467 20 30 EGEDMN C=CCCCC(=O)N1C[C@@H](CN[C@@H](C)c2nc(C(C)C)no2)[C@H](C)C1 ZINC001106612538 1366754910 /nfs/dbraw/zinc/75/49/10/1366754910.db2.gz BJKLQPQVWDYSGU-OWCLPIDISA-N 0 1 348.491 3.294 20 30 EGEDMN N#Cc1ccccc1CN1CC[C@@]2(CNC(=O)/C=C\C3CC3)CCC[C@@H]12 ZINC001107352994 1366939238 /nfs/dbraw/zinc/93/92/38/1366939238.db2.gz SJHVIMHELLOUEL-DYBBAPRSSA-N 0 1 349.478 3.385 20 30 EGEDMN C#CCC1(C(=O)NC[C@]23CCC[C@H]2N(CC(=C)Cl)CC3)CCC1 ZINC001107433277 1366961987 /nfs/dbraw/zinc/96/19/87/1366961987.db2.gz XDKYAQRHHLTEGJ-VQIMIIECSA-N 0 1 334.891 3.293 20 30 EGEDMN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)c1cccc(F)c1 ZINC001109206647 1367001908 /nfs/dbraw/zinc/00/19/08/1367001908.db2.gz SBUXDIYIGPMABJ-OAOYMFHYSA-N 0 1 328.431 3.412 20 30 EGEDMN Cc1ccc(F)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109246047 1367024575 /nfs/dbraw/zinc/02/45/75/1367024575.db2.gz MOWCRFMOVYVYCC-QYZOEREBSA-N 0 1 328.431 3.015 20 30 EGEDMN CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCc2ccc(F)cc21 ZINC001109250316 1367026515 /nfs/dbraw/zinc/02/65/15/1367026515.db2.gz QFPJNGVEPKLCHB-GTAWCEEGSA-N 0 1 340.442 3.194 20 30 EGEDMN O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C(F)F)cc1 ZINC001109257576 1367028664 /nfs/dbraw/zinc/02/86/64/1367028664.db2.gz CKVXNPPMDBDBSA-SQNIBIBYSA-N 0 1 344.405 3.259 20 30 EGEDMN C=C(Cl)CN1CC[C@@]2(CNC(=O)[C@H](C)C(C)(F)F)CCC[C@@H]12 ZINC001107554682 1367040068 /nfs/dbraw/zinc/04/00/68/1367040068.db2.gz JCCHPKSLLFERCN-WOSRLPQWSA-N 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30 EGEDMN C=C(Cl)C(C)(C)C(=O)NC[C@]1(C)CN(CC2CC(C)C2)CCO1 ZINC001107971452 1367224480 /nfs/dbraw/zinc/22/44/80/1367224480.db2.gz SGNLSWPYDGYDEI-LEHRNKBSSA-N 0 1 342.911 3.018 20 30 EGEDMN C#CCC1(C(=O)NC[C@@]2(C)CN(CC/C=C/CCC)CCO2)CCC1 ZINC001107990207 1367232402 /nfs/dbraw/zinc/23/24/02/1367232402.db2.gz CGKNXMHZGVZNEL-DUIUGDAFSA-N 0 1 346.515 3.134 20 30 EGEDMN CCCCCCCN1CCO[C@@](C)(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001108030804 1367249624 /nfs/dbraw/zinc/24/96/24/1367249624.db2.gz OWRMTPKSIFBXJM-FQEVSTJZSA-N 0 1 349.519 3.423 20 30 EGEDMN C=CC(C)(C)CC(=O)N1CC[C@H](N(C)Cc2cn(C(C)C)nc2C)C1 ZINC001190397847 1367252440 /nfs/dbraw/zinc/25/24/40/1367252440.db2.gz PNAKWDAFZYSEDJ-SFHVURJKSA-N 0 1 346.519 3.407 20 30 EGEDMN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1 ZINC001109634489 1367253261 /nfs/dbraw/zinc/25/32/61/1367253261.db2.gz OEQWTQHVDQKMCW-LDTOTXGLSA-N 0 1 337.467 3.382 20 30 EGEDMN CCCCCCCN1CCO[C@](C)(CNC(=O)CCC(F)F)C1 ZINC001108076653 1367269554 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30 EGEDMN C=CCCCCCN1CCO[C@@](C)(CNC(=O)C(C)(C)C2CC2)C1 ZINC001108151411 1367312447 /nfs/dbraw/zinc/31/24/47/1367312447.db2.gz OZPRPFYVILFRSY-FQEVSTJZSA-N 0 1 336.520 3.376 20 30 EGEDMN C=CCCN1CCO[C@](C)(CNC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001108181550 1367326137 /nfs/dbraw/zinc/32/61/37/1367326137.db2.gz WEYGVTHDBMERID-GOSISDBHSA-N 0 1 336.863 3.045 20 30 EGEDMN C=CCCCCCN1CCO[C@](C)(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001108201174 1367340720 /nfs/dbraw/zinc/34/07/20/1367340720.db2.gz JAXQENRTKNJCBH-HXUWFJFHSA-N 0 1 334.504 3.296 20 30 EGEDMN C=CCCN1CCO[C@@](C)(CNC(=O)c2ccccc2C2(C)CC2)C1 ZINC001108209320 1367342829 /nfs/dbraw/zinc/34/28/29/1367342829.db2.gz MKOJTBQPRKLIBN-NRFANRHFSA-N 0 1 342.483 3.135 20 30 EGEDMN C=CCCCN1CCO[C@](C)(CNC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001108214055 1367345440 /nfs/dbraw/zinc/34/54/40/1367345440.db2.gz XVNAHARCRQZKPI-HXUWFJFHSA-N 0 1 345.487 3.069 20 30 EGEDMN C=CCCN1CCO[C@](C)(CNC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001108259485 1367368454 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C=C(C)CCN1CCO[C@@](C)(CNC(=O)C23CCC(CC2)CC3)C1 ZINC001108411911 1367439314 /nfs/dbraw/zinc/43/93/14/1367439314.db2.gz DYHMXYRZUPOXAK-SYYJFZTOSA-N 0 1 334.504 3.130 20 30 EGEDMN C=CCC1(C(=O)NC[C@@]2(C)CN(CC3CC3)CCO2)CCCCC1 ZINC001108416063 1367443624 /nfs/dbraw/zinc/44/36/24/1367443624.db2.gz QASUYJDGBLPMOC-IBGZPJMESA-N 0 1 334.504 3.130 20 30 EGEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001108425348 1367449540 /nfs/dbraw/zinc/44/95/40/1367449540.db2.gz CQVWBBITXXSUQV-QUCCMNQESA-N 0 1 348.462 3.103 20 30 EGEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001108425828 1367449875 /nfs/dbraw/zinc/44/98/75/1367449875.db2.gz HNZLBORUFRZEJP-XLIONFOSSA-N 0 1 336.520 3.376 20 30 EGEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)c2coc3ccccc23)C1 ZINC001108441796 1367459575 /nfs/dbraw/zinc/45/95/75/1367459575.db2.gz SKSBHGXLXBPEJB-HXUWFJFHSA-N 0 1 342.439 3.220 20 30 EGEDMN CC#CCN(C)[C@@H]1CCN(C(=O)CCc2ccc(C(C)C)cc2)C1 ZINC001191302558 1367471721 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C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1cccc(CC)c1 ZINC001231094837 1376204364 /nfs/dbraw/zinc/20/43/64/1376204364.db2.gz KAPFVVLNUPOQDH-FXAWDEMLSA-N 0 1 344.499 3.263 20 30 EGEDMN O=C1CCN(Cc2ccccc2C#Cc2ccccc2)C[C@@H]2CCCN12 ZINC001231578651 1376269349 /nfs/dbraw/zinc/26/93/49/1376269349.db2.gz PNSZTARQEMLJFW-QFIPXVFZSA-N 0 1 344.458 3.283 20 30 EGEDMN COCCCOc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1OC ZINC001231609719 1376281090 /nfs/dbraw/zinc/28/10/90/1376281090.db2.gz HIZOQMZURLLFCD-NNZMDNLPSA-N 0 1 344.455 3.377 20 30 EGEDMN COCCCOc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1OC ZINC001231609719 1376281094 /nfs/dbraw/zinc/28/10/94/1376281094.db2.gz HIZOQMZURLLFCD-NNZMDNLPSA-N 0 1 344.455 3.377 20 30 EGEDMN COc1ccccc1O[C@@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC001231618229 1376282731 /nfs/dbraw/zinc/28/27/31/1376282731.db2.gz BPWHJDGIIUWXNR-QGZVFWFLSA-N 0 1 338.407 3.229 20 30 EGEDMN CCCc1noc([C@H]2CCCN(Cc3ccc(C#N)cc3OC)C2)n1 ZINC001231619979 1376283688 /nfs/dbraw/zinc/28/36/88/1376283688.db2.gz NCFMJZFOEXXVNO-INIZCTEOSA-N 0 1 340.427 3.282 20 30 EGEDMN C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231911461 1376346438 /nfs/dbraw/zinc/34/64/38/1376346438.db2.gz MAHZQJJZBAHQRR-CRAIPNDOSA-N 0 1 337.847 3.372 20 30 EGEDMN C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ncccc1Cl)C2 ZINC001231957544 1376362070 /nfs/dbraw/zinc/36/20/70/1376362070.db2.gz GSPQJVSGGBMYKD-ZWKOTPCHSA-N 0 1 336.863 3.309 20 30 EGEDMN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ncccc1Cl)C2 ZINC001231957544 1376362075 /nfs/dbraw/zinc/36/20/75/1376362075.db2.gz GSPQJVSGGBMYKD-ZWKOTPCHSA-N 0 1 336.863 3.309 20 30 EGEDMN C#CCCCCC(=O)N[C@H](C)C[C@H](C)NCc1ncc(Cl)s1 ZINC001134119532 1376378090 /nfs/dbraw/zinc/37/80/90/1376378090.db2.gz SNAQTWYCPOIPDU-QWHCGFSZSA-N 0 1 341.908 3.363 20 30 EGEDMN C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ncc(Cl)s1 ZINC001134119530 1376378707 /nfs/dbraw/zinc/37/87/07/1376378707.db2.gz SNAQTWYCPOIPDU-CHWSQXEVSA-N 0 1 341.908 3.363 20 30 EGEDMN N#Cc1ccc(F)c(CNCCNC(=O)c2cc(F)ccc2Cl)c1 ZINC001134272918 1376449020 /nfs/dbraw/zinc/44/90/20/1376449020.db2.gz QSDHDLZJXGNXQP-UHFFFAOYSA-N 0 1 349.768 3.009 20 30 EGEDMN CCOc1ccnc(CN2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001232586556 1376483673 /nfs/dbraw/zinc/48/36/73/1376483673.db2.gz QHPIJISNBHQOIN-HXUWFJFHSA-N 0 1 337.423 3.395 20 30 EGEDMN COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1[O-] ZINC001232674161 1376498872 /nfs/dbraw/zinc/49/88/72/1376498872.db2.gz SHBHICHQFDNJLM-UHFFFAOYSA-N 0 1 338.407 3.219 20 30 EGEDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2[O-])[C@H]1c1ccccc1 ZINC001232680328 1376500424 /nfs/dbraw/zinc/50/04/24/1376500424.db2.gz BWADYDYFSGQGOR-HKUYNNGSSA-N 0 1 336.391 3.000 20 30 EGEDMN CC(C)(C)OC(=O)N1CCC[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]21 ZINC001232843955 1376522598 /nfs/dbraw/zinc/52/25/98/1376522598.db2.gz BSJYMLMKRFZLKI-CJNGLKHVSA-N 0 1 347.484 3.451 20 30 EGEDMN C=CCC(CC=C)C(=O)N[C@H](C)C[C@@H](C)NCc1ncnn1C(C)C ZINC001134419218 1376524473 /nfs/dbraw/zinc/52/44/73/1376524473.db2.gz URWQRWIAAUASHH-HZPDHXFCSA-N 0 1 347.507 3.000 20 30 EGEDMN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@H](C)NCc1nnc(C(C)(C)C)[nH]1 ZINC001134453543 1376545251 /nfs/dbraw/zinc/54/52/51/1376545251.db2.gz IEGALZIDYKNCJR-KBPBESRZSA-N 0 1 349.523 3.077 20 30 EGEDMN C=CC(C)(C)CC(=O)N[C@H](C)C[C@H](C)NCc1ncnn1C(C)(C)C ZINC001134453958 1376546992 /nfs/dbraw/zinc/54/69/92/1376546992.db2.gz OQEIKDXGXODMSV-LSDHHAIUSA-N 0 1 349.523 3.008 20 30 EGEDMN Cc1cc(C#N)ccc1CN1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001233082888 1376567687 /nfs/dbraw/zinc/56/76/87/1376567687.db2.gz NROOGPPQTPMFPL-UHFFFAOYSA-N 0 1 341.455 3.356 20 30 EGEDMN C#CCC1(C(=O)N[C@@H](C)C[C@@H](C)NCc2ncc(C(C)C)o2)CCC1 ZINC001134567986 1376600630 /nfs/dbraw/zinc/60/06/30/1376600630.db2.gz SNRVYOUBBMVHFE-CVEARBPZSA-N 0 1 345.487 3.365 20 30 EGEDMN CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[O-])C[C@H]2CCCC[C@@H]12 ZINC001233384536 1376634753 /nfs/dbraw/zinc/63/47/53/1376634753.db2.gz YVOWNMIQCLJKIY-NXHRZFHOSA-N 0 1 342.439 3.065 20 30 EGEDMN C[C@H](CC1CCCC1)C(=O)NCCNCc1cc(C#N)ccc1F ZINC001134687044 1376658345 /nfs/dbraw/zinc/65/83/45/1376658345.db2.gz BOUJHPSZTJPYIU-CQSZACIVSA-N 0 1 331.435 3.120 20 30 EGEDMN Cc1cc(O[C@@H]2CCN(Cc3ccccc3C#N)C2)cc2n[nH]cc21 ZINC001233742840 1376709244 /nfs/dbraw/zinc/70/92/44/1376709244.db2.gz GBOPBJJENVVZEI-QGZVFWFLSA-N 0 1 332.407 3.396 20 30 EGEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc2c(c1)CC[C@H]2CC(=O)OC ZINC001233781944 1376716170 /nfs/dbraw/zinc/71/61/70/1376716170.db2.gz VLRHQWLIBPQMPL-BBRMVZONSA-N 0 1 330.380 3.268 20 30 EGEDMN Cc1cc(C)cc(CN2CC[C@@H]2CN(C)C(=O)C#CC(C)(C)C)c1 ZINC001234196081 1376784843 /nfs/dbraw/zinc/78/48/43/1376784843.db2.gz QNJSFMAQVJCZPW-LJQANCHMSA-N 0 1 326.484 3.386 20 30 EGEDMN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nnc(C(C)(C)C)[nH]1 ZINC001135179825 1376952481 /nfs/dbraw/zinc/95/24/81/1376952481.db2.gz ACDYVAARPSFLSG-UONOGXRCSA-N 0 1 349.523 3.077 20 30 EGEDMN C#CCCCCCC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)c(C)o1 ZINC001135188971 1376961996 /nfs/dbraw/zinc/96/19/96/1376961996.db2.gz RSGOHOUFXKGHAP-LSDHHAIUSA-N 0 1 333.476 3.248 20 30 EGEDMN C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(F)c([O-])c1)C2 ZINC001236703413 1376962391 /nfs/dbraw/zinc/96/23/91/1376962391.db2.gz WMKAEMCWTFONCD-RTBURBONSA-N 0 1 335.419 3.105 20 30 EGEDMN C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(F)c([O-])c1)C2 ZINC001236703413 1376962395 /nfs/dbraw/zinc/96/23/95/1376962395.db2.gz WMKAEMCWTFONCD-RTBURBONSA-N 0 1 335.419 3.105 20 30 EGEDMN CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1csc(Cl)n1 ZINC001135225197 1376986688 /nfs/dbraw/zinc/98/66/88/1376986688.db2.gz OGUQZMAIRTYJOS-OLZOCXBDSA-N 0 1 341.908 3.363 20 30 EGEDMN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nc2c(o1)CCCC2 ZINC001135236167 1376992962 /nfs/dbraw/zinc/99/29/62/1376992962.db2.gz QQNOBZPQACBHKV-UONOGXRCSA-N 0 1 333.476 3.139 20 30 EGEDMN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1csc(Cl)n1 ZINC001135236855 1376993842 /nfs/dbraw/zinc/99/38/42/1376993842.db2.gz XTGVHBBAAJWWQC-WDEREUQCSA-N 0 1 329.897 3.382 20 30 EGEDMN CC/C=C(\C)C(=O)N1CC[C@H](N(C)Cc2ccc(F)c(C#N)c2)C1 ZINC001189179628 1388475454 /nfs/dbraw/zinc/47/54/54/1388475454.db2.gz RVDXBJAWBJQARR-ANQFXYINSA-N 0 1 329.419 3.086 20 30 EGEDMN N#Cc1ccc(F)c(CNCCNC(=O)c2ccc(C(F)F)cc2)c1 ZINC001135385298 1377066737 /nfs/dbraw/zinc/06/67/37/1377066737.db2.gz XUTGGTUCACEVMV-UHFFFAOYSA-N 0 1 347.340 3.155 20 30 EGEDMN C[C@H](CC(=O)NCCNCc1ccccc1C#N)c1ccccc1F ZINC001135390333 1377069746 /nfs/dbraw/zinc/06/97/46/1377069746.db2.gz JKCFCBQWONCLQE-OAHLLOKOSA-N 0 1 339.414 3.097 20 30 EGEDMN C=C(Br)CNCCNC(=O)C1(CC(C)C)CCCC1 ZINC001135414031 1377081425 /nfs/dbraw/zinc/08/14/25/1377081425.db2.gz GVVXJAYMJDGBHE-UHFFFAOYSA-N 0 1 331.298 3.207 20 30 EGEDMN C=C1CCC(C(=O)N[C@@H](C)C[C@H](C)NCc2nc(C)c(C)o2)CC1 ZINC001135416930 1377083458 /nfs/dbraw/zinc/08/34/58/1377083458.db2.gz YFCWMUHHGMGUCH-KBPBESRZSA-N 0 1 333.476 3.411 20 30 EGEDMN Cc1ccccc1CCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001266345430 1377285082 /nfs/dbraw/zinc/28/50/82/1377285082.db2.gz UANYAZBPSRYUCX-OAQYLSRUSA-N 0 1 347.462 3.190 20 30 EGEDMN CCCN(C(=O)CC(C)(F)F)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001267482185 1377446680 /nfs/dbraw/zinc/44/66/80/1377446680.db2.gz PNTGODGNTXKFJR-KRWDZBQOSA-N 0 1 349.425 3.416 20 30 EGEDMN COc1ncc(CN2CCC[C@@H](Oc3ccccc3C#N)C2)cc1C ZINC001137007815 1377455743 /nfs/dbraw/zinc/45/57/43/1377455743.db2.gz LUYCDYMATIJOJI-GOSISDBHSA-N 0 1 337.423 3.314 20 30 EGEDMN C=CCOCCN1CCC[C@@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001268114131 1377486920 /nfs/dbraw/zinc/48/69/20/1377486920.db2.gz KWPLXTJTFGNQRT-GOSISDBHSA-N 0 1 342.483 3.351 20 30 EGEDMN C=C(C)c1cccc(C(C)(C)NC(=O)N2CC(N3CCCC3)C2)c1 ZINC001189263099 1388500803 /nfs/dbraw/zinc/50/08/03/1388500803.db2.gz ACTXQGQSUBUWMJ-UHFFFAOYSA-N 0 1 327.472 3.444 20 30 EGEDMN C=CCN1CC[C@]2(CCCN(Cc3cc(F)c(F)cc3F)C2)C1=O ZINC001137888490 1377637759 /nfs/dbraw/zinc/63/77/59/1377637759.db2.gz XPFVTJZVAXPRHE-SFHVURJKSA-N 0 1 338.373 3.104 20 30 EGEDMN N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138128439 1377681603 /nfs/dbraw/zinc/68/16/03/1377681603.db2.gz KJUYCYZENDADNA-MRXNPFEDSA-N 0 1 326.371 3.446 20 30 EGEDMN C#CCOc1ccc(CN2CC(CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001138557370 1377741757 /nfs/dbraw/zinc/74/17/57/1377741757.db2.gz IODKNCBKAWVXJN-UHFFFAOYSA-N 0 1 344.455 3.045 20 30 EGEDMN C=C(C)COc1ccccc1C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001138662491 1377764524 /nfs/dbraw/zinc/76/45/24/1377764524.db2.gz ZELCEMMBIQANOJ-INIZCTEOSA-N 0 1 329.362 3.388 20 30 EGEDMN C=C(C)COc1ccccc1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC001138662491 1377764527 /nfs/dbraw/zinc/76/45/27/1377764527.db2.gz ZELCEMMBIQANOJ-INIZCTEOSA-N 0 1 329.362 3.388 20 30 EGEDMN C=CCOc1ccccc1CN1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 ZINC001139028989 1377819629 /nfs/dbraw/zinc/81/96/29/1377819629.db2.gz MFDKBKYYTCQQCK-CJNGLKHVSA-N 0 1 329.362 3.387 20 30 EGEDMN C=CCOc1ccccc1CN1CCC[C@@H](NC(=O)N2CCCC2)C1 ZINC001139031303 1377820432 /nfs/dbraw/zinc/82/04/32/1377820432.db2.gz UJWNNFSUQPHCMP-GOSISDBHSA-N 0 1 343.471 3.021 20 30 EGEDMN N#Cc1ccnc(-c2ccc(CN3CC[C@@](O)(C(F)(F)F)C3)cc2)c1 ZINC001139402853 1377879092 /nfs/dbraw/zinc/87/90/92/1377879092.db2.gz ZIZCHOBKRKHBNM-KRWDZBQOSA-N 0 1 347.340 3.119 20 30 EGEDMN N#Cc1ccc(F)c(CN2CCC(COc3cccnc3)CC2)c1 ZINC001139646717 1377925206 /nfs/dbraw/zinc/92/52/06/1377925206.db2.gz HELSYJBYQOJCLN-UHFFFAOYSA-N 0 1 325.387 3.383 20 30 EGEDMN C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(C#N)ccc1F ZINC001139650317 1377926513 /nfs/dbraw/zinc/92/65/13/1377926513.db2.gz ZXLSORMUKZLYBB-UHFFFAOYSA-N 0 1 335.423 3.434 20 30 EGEDMN CN(CCCCNC(=O)OC(C)(C)C)Cc1cc(C#N)ccc1F ZINC001139650317 1377926514 /nfs/dbraw/zinc/92/65/14/1377926514.db2.gz ZXLSORMUKZLYBB-UHFFFAOYSA-N 0 1 335.423 3.434 20 30 EGEDMN CN(Cc1c[nH]c2c1cccc2C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC001139706525 1377938113 /nfs/dbraw/zinc/93/81/13/1377938113.db2.gz XVIUXUAMIOIICP-UHFFFAOYSA-N 0 1 340.427 3.091 20 30 EGEDMN N#Cc1cccc2c(CN3CCN4CCc5ccccc5[C@@H]4C3)c[nH]c21 ZINC001139706584 1377938220 /nfs/dbraw/zinc/93/82/20/1377938220.db2.gz 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CCC(C)(C)C(=O)N(C)[C@H](CNCc1ccccc1C#N)C1CC1 ZINC001734304119 1438035959 /nfs/dbraw/zinc/03/59/59/1438035959.db2.gz FQSGZHYJQQFGIP-GOSISDBHSA-N 0 1 327.472 3.321 20 30 EGEDMN C=C(Cl)CNC[C@H](NC(=O)CCCC1CCOCC1)C(C)(C)C ZINC001734563370 1438159920 /nfs/dbraw/zinc/15/99/20/1438159920.db2.gz XHXMRKKLQMPRCP-INIZCTEOSA-N 0 1 344.927 3.456 20 30 EGEDMN CN(CCCNC(=O)/C=C/C(C)(C)C)Cc1ccc(C#N)cc1F ZINC001751952715 1440127874 /nfs/dbraw/zinc/12/78/74/1440127874.db2.gz MJUGRSCZKDGALN-CMDGGOBGSA-N 0 1 331.435 3.238 20 30 EGEDMN CC1CC(C(=O)NCCCN(C)CC#Cc2ccc(Cl)cc2)C1 ZINC001751960786 1440128882 /nfs/dbraw/zinc/12/88/82/1440128882.db2.gz PGOWMLXPAVPJCK-UHFFFAOYSA-N 0 1 332.875 3.176 20 30 EGEDMN CN(CCCNC(=O)[C@@H]1CCC[C@H](F)C1)Cc1ccc(C#N)cc1F ZINC001751975159 1440129850 /nfs/dbraw/zinc/12/98/50/1440129850.db2.gz RBDOZOMFKBJMIF-WBVHZDCISA-N 0 1 349.425 3.164 20 30 EGEDMN CC1(C)C[C@H]1C(=O)NCCCN(Cc1ccccc1C#N)C1CC1 ZINC001752258847 1440161429 /nfs/dbraw/zinc/16/14/29/1440161429.db2.gz 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EGEDMN C=C(Br)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC12CC2 ZINC001753035554 1440274296 /nfs/dbraw/zinc/27/42/96/1440274296.db2.gz GGRCJXUZOSBKQP-KGLIPLIRSA-N 0 1 341.293 3.056 20 30 EGEDMN CCN(CCNC(=O)/C=C/C(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC001753079336 1440293045 /nfs/dbraw/zinc/29/30/45/1440293045.db2.gz IQRZEBGVLDTAKQ-CMDGGOBGSA-N 0 1 331.435 3.238 20 30 EGEDMN CCN(CCNC(=O)C#CC(C)(C)C)Cc1ccc(F)c(Cl)c1 ZINC001753082010 1440294291 /nfs/dbraw/zinc/29/42/91/1440294291.db2.gz YLXWQSPVXHTPTB-UHFFFAOYSA-N 0 1 338.854 3.467 20 30 EGEDMN C=CC(C)(C)C(=O)NCCN(CC)Cc1ccc(Cl)cc1OC ZINC001753089787 1440298330 /nfs/dbraw/zinc/29/83/30/1440298330.db2.gz MNFURMQHCCMMBL-UHFFFAOYSA-N 0 1 338.879 3.499 20 30 EGEDMN CC[C@@H](CC(F)F)C(=O)NC[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC001753106683 1440306422 /nfs/dbraw/zinc/30/64/22/1440306422.db2.gz RKWRCLKTYPAABF-DLBZAZTESA-N 0 1 349.425 3.320 20 30 EGEDMN CC(C)c1cccc(CN2CC[C@@H](CNC(=O)C#CC(C)(C)C)C2)n1 ZINC001753125483 1440314809 /nfs/dbraw/zinc/31/48/09/1440314809.db2.gz 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EGEDMN CCN(C(=O)C#CC(C)C)[C@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001753454717 1440407645 /nfs/dbraw/zinc/40/76/45/1440407645.db2.gz BPFLCXCGOLYDRJ-ICSRJNTNSA-N 0 1 342.458 3.395 20 30 EGEDMN CCN(C(=O)C#CC1CC1)[C@@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC001753455635 1440407963 /nfs/dbraw/zinc/40/79/63/1440407963.db2.gz MXIMPRKYLXPKMP-UZLBHIALSA-N 0 1 340.442 3.149 20 30 EGEDMN CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)N[C@H](C)c1c(F)cccc1F ZINC001753470175 1440413759 /nfs/dbraw/zinc/41/37/59/1440413759.db2.gz NXGIHPMHRFOYON-VXGBXAGGSA-N 0 1 346.381 3.024 20 30 EGEDMN C#CCCCC(=O)NC[C@H](CC)N[C@H](C)c1nc2ccccc2o1 ZINC001753472230 1440414153 /nfs/dbraw/zinc/41/41/53/1440414153.db2.gz CHGKQJNPGJAHNG-CABCVRRESA-N 0 1 327.428 3.177 20 30 EGEDMN C=C(Cl)CN[C@H](CC)CNC(=O)CCc1cc(F)ccc1F ZINC001753497567 1440422224 /nfs/dbraw/zinc/42/22/24/1440422224.db2.gz OEMMXNONBAVPRS-CQSZACIVSA-N 0 1 330.806 3.134 20 30 EGEDMN C=CC(C)(C)C(=O)N1CCC[C@H](CCNCc2nc(C)oc2C)C1 ZINC001753552517 1440435298 /nfs/dbraw/zinc/43/52/98/1440435298.db2.gz WVVMTTNGXSVWCZ-MRXNPFEDSA-N 0 1 333.476 3.222 20 30 EGEDMN C=CC1(CC(=O)NC[C@H]2CN(CCC(=C)C)CCO2)CCCCC1 ZINC001753653689 1440457037 /nfs/dbraw/zinc/45/70/37/1440457037.db2.gz GCVHEGWXRJFNIK-SFHVURJKSA-N 0 1 334.504 3.296 20 30 EGEDMN N#Cc1ccccc1CNC[C@@H](NC(=O)C#CC1CC1)C1CCCCC1 ZINC001753746247 1440481029 /nfs/dbraw/zinc/48/10/29/1440481029.db2.gz QZRMXERAVASNKL-OAQYLSRUSA-N 0 1 349.478 3.126 20 30 EGEDMN CC(C)C#CC(=O)N1CCCC[C@H]1CCNC/C(Cl)=C/Cl ZINC001753776917 1440486587 /nfs/dbraw/zinc/48/65/87/1440486587.db2.gz GZCRYTSKJMHEOE-SZGZABIGSA-N 0 1 331.287 3.326 20 30 EGEDMN CC(C)C#CC(=O)N1CCCC[C@@H]1CCNC/C(Cl)=C/Cl ZINC001753776916 1440486589 /nfs/dbraw/zinc/48/65/89/1440486589.db2.gz GZCRYTSKJMHEOE-QKXCFHHRSA-N 0 1 331.287 3.326 20 30 EGEDMN C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)c1cn(C(C)C)cn1 ZINC001753807817 1440492072 /nfs/dbraw/zinc/49/20/72/1440492072.db2.gz RLAQMMKZJCSJII-XJKSGUPXSA-N 0 1 338.883 3.047 20 30 EGEDMN C=C(C)C(C)(C)C(=O)N(C)CCN(C)C[C@H](O)c1ccc(CC)cc1 ZINC001753859437 1440510650 /nfs/dbraw/zinc/51/06/50/1440510650.db2.gz OXYMYXAZOMGFAC-IBGZPJMESA-N 0 1 346.515 3.275 20 30 EGEDMN C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H]1CNCc1nc(C(C)C)no1 ZINC001753888768 1440521743 /nfs/dbraw/zinc/52/17/43/1440521743.db2.gz PWUFQMVGFDIZSE-LSDHHAIUSA-N 0 1 348.491 3.170 20 30 EGEDMN C=C(C)CCC(=O)N[C@H](C)CCNCc1nc(C)c2ccccc2n1 ZINC001753969618 1440526994 /nfs/dbraw/zinc/52/69/94/1440526994.db2.gz MITJEVKUNAFXGQ-OAHLLOKOSA-N 0 1 340.471 3.279 20 30 EGEDMN C=C(Br)CNCCN(CC)C(=O)C[C@@H]1C=CCCC1 ZINC001754052392 1440535937 /nfs/dbraw/zinc/53/59/37/1440535937.db2.gz ZQPILDSKBXTJFO-CQSZACIVSA-N 0 1 329.282 3.080 20 30 EGEDMN CCN(CCNCC#Cc1ccc(F)cc1)C(=O)C[C@@H]1C=CCCC1 ZINC001754052178 1440535785 /nfs/dbraw/zinc/53/57/85/1440535785.db2.gz WKCXXWBJSSSZNN-LJQANCHMSA-N 0 1 342.458 3.362 20 30 EGEDMN C#Cc1ccc(C(=O)N(CC)CCNCc2cccc(C(C)C)n2)cc1 ZINC001754060214 1440536750 /nfs/dbraw/zinc/53/67/50/1440536750.db2.gz KZENFXASEITNJB-UHFFFAOYSA-N 0 1 349.478 3.438 20 30 EGEDMN CCN(CCNCC#Cc1ccc(Cl)cc1)C(=O)C1(C)CCC1 ZINC001754062216 1440536912 /nfs/dbraw/zinc/53/69/12/1440536912.db2.gz WQJLBTXMRKNKTG-UHFFFAOYSA-N 0 1 332.875 3.320 20 30 EGEDMN Cc1ccc(C)c(C(=O)NC/C=C\CNCC#Cc2ccccc2)c1 ZINC001754200412 1440550009 /nfs/dbraw/zinc/55/00/09/1440550009.db2.gz GRJBLMAIGMUKLX-SREVYHEPSA-N 0 1 332.447 3.231 20 30 EGEDMN C=C[C@](C)(CC)C(=O)N[C@H](C)CNCC#Cc1ccccc1Cl ZINC001754241883 1440555934 /nfs/dbraw/zinc/55/59/34/1440555934.db2.gz YCIRGAOAPULADC-DNVCBOLYSA-N 0 1 332.875 3.388 20 30 EGEDMN Cc1ccc(C(=O)N[C@H](C)CNCc2ccc(C#N)cc2F)cc1C ZINC001754251403 1440558086 /nfs/dbraw/zinc/55/80/86/1440558086.db2.gz YHFKMRQQONQEGC-OAHLLOKOSA-N 0 1 339.414 3.222 20 30 EGEDMN C[C@@H](CN(C)Cc1ccc(C#N)c(F)c1)NC(=O)CCC1CCC1 ZINC001754303462 1440569476 /nfs/dbraw/zinc/56/94/76/1440569476.db2.gz BXPKYKHHTJNTKF-AWEZNQCLSA-N 0 1 331.435 3.214 20 30 EGEDMN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)c(F)c1 ZINC001754323876 1440579468 /nfs/dbraw/zinc/57/94/68/1440579468.db2.gz WKCOVYFXXZYHOH-IFXJQAMLSA-N 0 1 331.435 3.236 20 30 EGEDMN CCC[C@@H](CC)C(=O)N[C@@H](C)CN(C)Cc1ccc(F)c(C#N)c1 ZINC001754327482 1440581616 /nfs/dbraw/zinc/58/16/16/1440581616.db2.gz AVDJLUIAUXEVBH-GOEBONIOSA-N 0 1 333.451 3.460 20 30 EGEDMN C=C[C@@H](C(=O)N[C@H](C)CN(C)Cc1cnccc1C)c1ccccc1 ZINC001754332996 1440585217 /nfs/dbraw/zinc/58/52/17/1440585217.db2.gz JUGUIODGMGGDFH-YLJYHZDGSA-N 0 1 337.467 3.296 20 30 EGEDMN CCC1(C(=O)N[C@@H](CNCc2cc(F)ccc2C#N)C2CC2)CCC1 ZINC001754449602 1440600804 /nfs/dbraw/zinc/60/08/04/1440600804.db2.gz VJRIRVDBUGKOQB-SFHVURJKSA-N 0 1 343.446 3.262 20 30 EGEDMN C=CCC1(C(=O)N2CC[C@@H](NCc3ccon3)[C@@H](CC)C2)CCC1 ZINC001754470287 1440605185 /nfs/dbraw/zinc/60/51/85/1440605185.db2.gz KJXFHTUIEAXZEC-DOTOQJQBSA-N 0 1 331.460 3.138 20 30 EGEDMN C#CCCCC(=O)NC[C@@H]1CCN1[C@H]1CCCc2ccc(F)cc21 ZINC001754480367 1440607302 /nfs/dbraw/zinc/60/73/02/1440607302.db2.gz GICSPVJPHITBBO-HKUYNNGSSA-N 0 1 328.431 3.197 20 30 EGEDMN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1c(C)noc1C(F)(F)F ZINC001754495325 1440611974 /nfs/dbraw/zinc/61/19/74/1440611974.db2.gz JCLFLNNTWWUZBZ-PWSUYJOCSA-N 0 1 345.365 3.161 20 30 EGEDMN C[C@]1(C(=O)NCC2(NCc3ccc(C#N)cc3F)CC2)CC=CCC1 ZINC001754514373 1440618296 /nfs/dbraw/zinc/61/82/96/1440618296.db2.gz AZIAJLFZYULAGS-IBGZPJMESA-N 0 1 341.430 3.182 20 30 EGEDMN C#CCCOc1ccc(C(=O)N(C)C2CN(CCCCC)C2)cc1 ZINC001754574698 1440637575 /nfs/dbraw/zinc/63/75/75/1440637575.db2.gz AYKVSUJMTXCZBG-UHFFFAOYSA-N 0 1 328.456 3.035 20 30 EGEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001754584315 1440639400 /nfs/dbraw/zinc/63/94/00/1440639400.db2.gz FHAIIKKFTXCFJB-OXJNMPFZSA-N 0 1 342.483 3.188 20 30 EGEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)c2ccnc(O[C@H](C)CC)c2)C1 ZINC001754584942 1440639606 /nfs/dbraw/zinc/63/96/06/1440639606.db2.gz PPAQUKTWYRBXQP-JKSUJKDBSA-N 0 1 345.487 3.370 20 30 EGEDMN C#CCN(C(=O)CCC1CC1)C1CCN(Cc2ncccc2C)CC1 ZINC001754635500 1440648455 /nfs/dbraw/zinc/64/84/55/1440648455.db2.gz NXYJJDBNVKGCMS-UHFFFAOYSA-N 0 1 339.483 3.006 20 30 EGEDMN CC1(C)C[C@@H]1C(=O)N[C@H](CNCc1ccccc1C#N)C1CCCC1 ZINC001754647796 1440650950 /nfs/dbraw/zinc/65/09/50/1440650950.db2.gz SFKMVVVGRGWIKQ-RTBURBONSA-N 0 1 339.483 3.369 20 30 EGEDMN C=C(Cl)CNC[C@@H](NC(=O)c1ocnc1C1CC1)C1CCCC1 ZINC001754650277 1440651762 /nfs/dbraw/zinc/65/17/62/1440651762.db2.gz MNUSKGKSGIHGGT-CQSZACIVSA-N 0 1 337.851 3.183 20 30 EGEDMN C=C(Cl)CNC[C@H](NC(=O)c1ccc2c(c1)CCO2)C1CCCC1 ZINC001754656203 1440653514 /nfs/dbraw/zinc/65/35/14/1440653514.db2.gz XCYHZDVKYMKEIO-KRWDZBQOSA-N 0 1 348.874 3.252 20 30 EGEDMN C=CCC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2[C@@H](C)c1cnccn1 ZINC001754660411 1440654691 /nfs/dbraw/zinc/65/46/91/1440654691.db2.gz WBGJSFZKZWVKGO-BBWFWOEESA-N 0 1 342.487 3.205 20 30 EGEDMN C=CC(C)(C)C(=O)NCC1(C)CCN([C@@H](C)c2ncc(C)o2)CC1 ZINC001754718404 1440672274 /nfs/dbraw/zinc/67/22/74/1440672274.db2.gz ABIVWYGDNHAQEW-HNNXBMFYSA-N 0 1 333.476 3.475 20 30 EGEDMN CC#CCN1CCC[C@@](C)(CNC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001754727839 1440677212 /nfs/dbraw/zinc/67/72/12/1440677212.db2.gz OMKKOFBLRBBZCL-IBGZPJMESA-N 0 1 347.528 3.296 20 30 EGEDMN C#CCN1CCC[C@](C)(CNC(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001754736942 1440682507 /nfs/dbraw/zinc/68/25/07/1440682507.db2.gz WEOALXITVVULRV-JOCHJYFZSA-N 0 1 338.495 3.348 20 30 EGEDMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)C[C@H](OCC)C(C)C)C1 ZINC001754744037 1440684054 /nfs/dbraw/zinc/68/40/54/1440684054.db2.gz VLXVIVONJHQESS-CVEARBPZSA-N 0 1 346.462 3.087 20 30 EGEDMN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(F)cn1)C2 ZINC001754785034 1440687457 /nfs/dbraw/zinc/68/74/57/1440687457.db2.gz INBHSLGJHRUXLC-WBAXXEDZSA-N 0 1 345.462 3.292 20 30 EGEDMN C#CCCCC(=O)N1C[C@H]2CN(Cc3c(F)cccc3Cl)C[C@H]2C1 ZINC001754842107 1440698108 /nfs/dbraw/zinc/69/81/08/1440698108.db2.gz KIPYPKUXLXBQEH-GASCZTMLSA-N 0 1 348.849 3.173 20 30 EGEDMN C#CCCCCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1c(C)noc1C ZINC001754862516 1440701729 /nfs/dbraw/zinc/70/17/29/1440701729.db2.gz KHAURKSWZSJVGX-RBUKOAKNSA-N 0 1 343.471 3.050 20 30 EGEDMN C=C1CCC(C(=O)N2CC[C@H](CCNCc3cscn3)C2)CC1 ZINC001754930157 1440710280 /nfs/dbraw/zinc/71/02/80/1440710280.db2.gz DZXJYDVSGYOWAX-HNNXBMFYSA-N 0 1 333.501 3.218 20 30 EGEDMN CC#CCN(C)Cc1ccccc1CNC(=O)c1sccc1C ZINC001754943845 1440712272 /nfs/dbraw/zinc/71/22/72/1440712272.db2.gz PDNCJFMOKCNSJH-UHFFFAOYSA-N 0 1 326.465 3.442 20 30 EGEDMN C=C(Cl)CNC1(CNC(=O)c2scnc2C(F)F)CCC1 ZINC001754984074 1440722259 /nfs/dbraw/zinc/72/22/59/1440722259.db2.gz UUUULGHDKFVUHY-UHFFFAOYSA-N 0 1 335.807 3.075 20 30 EGEDMN C=C(C)C(C)(C)C(=O)NCC1(NCC(=C)Br)CCC1 ZINC001754984306 1440722298 /nfs/dbraw/zinc/72/22/98/1440722298.db2.gz CLDSDHQJBJRTDD-UHFFFAOYSA-N 0 1 329.282 3.126 20 30 EGEDMN CC(C)(C(=O)NCC1(NCc2ccc(C#N)cc2F)CCC1)C1CC1 ZINC001754985064 1440722462 /nfs/dbraw/zinc/72/24/62/1440722462.db2.gz HGDNFFOUAVZTHE-UHFFFAOYSA-N 0 1 343.446 3.262 20 30 EGEDMN O=C(C#CC1CC1)NC[C@H]1Cc2ccccc2CN1CC1=CCCCC1 ZINC001755075691 1440748536 /nfs/dbraw/zinc/74/85/36/1440748536.db2.gz LOXSBKPFWDXEGV-JOCHJYFZSA-N 0 1 348.490 3.443 20 30 EGEDMN CCCCCCCN1CC(N2CCN(C(=O)[C@@]3(C)C=CCC3)CC2)C1 ZINC001755145511 1440762747 /nfs/dbraw/zinc/76/27/47/1440762747.db2.gz QKYGLZKDQIWEOT-NRFANRHFSA-N 0 1 347.547 3.142 20 30 EGEDMN C=CCC1(C(=O)N[C@H]2CCN(Cc3cccnc3)[C@H](C)C2)CCC1 ZINC001755164606 1440766400 /nfs/dbraw/zinc/76/64/00/1440766400.db2.gz XNAOXLAIXRNEHE-AEFFLSMTSA-N 0 1 327.472 3.297 20 30 EGEDMN C=CCC(C)(C)C(=O)NC[C@H]1c2ccccc2CCN1CCOCC ZINC001755171596 1440769028 /nfs/dbraw/zinc/76/90/28/1440769028.db2.gz ZNTQJLACYCPGHL-IBGZPJMESA-N 0 1 344.499 3.341 20 30 EGEDMN C=CC(C)(C)CC(=O)N1CCC2(CC1)CN(CC[C@@H](C)F)CCO2 ZINC001755174546 1440770323 /nfs/dbraw/zinc/77/03/23/1440770323.db2.gz UEKGDAWACBPNHA-MRXNPFEDSA-N 0 1 340.483 3.030 20 30 EGEDMN CC#CCN(C)C[C@H]1CCCN1C(=O)C(C)(C)c1cccc(F)c1 ZINC001755199172 1440778506 /nfs/dbraw/zinc/77/85/06/1440778506.db2.gz QNZQQKRMMAHGIN-GOSISDBHSA-N 0 1 330.447 3.049 20 30 EGEDMN CC#CCN(C)C[C@@H]1CCCN1C(=O)c1c[nH]cc1-c1ccccc1 ZINC001755200637 1440779397 /nfs/dbraw/zinc/77/93/97/1440779397.db2.gz MDZBPGFOGCSCOG-SFHVURJKSA-N 0 1 335.451 3.241 20 30 EGEDMN CC#CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1OC ZINC001755200710 1440779590 /nfs/dbraw/zinc/77/95/90/1440779590.db2.gz JMVCPXOXGAYGQE-MSOLQXFVSA-N 0 1 342.483 3.135 20 30 EGEDMN C#CCCCCC(=O)N[C@H](C)[C@@H](C)NCc1nc2ccccc2o1 ZINC001755232154 1440787312 /nfs/dbraw/zinc/78/73/12/1440787312.db2.gz XJEPIUVHAIZQHN-HUUCEWRRSA-N 0 1 327.428 3.004 20 30 EGEDMN C=CC(C)(C)C(=O)N(C)CC(C)(C)CNCc1coc(C2CC2)n1 ZINC001755283178 1440801130 /nfs/dbraw/zinc/80/11/30/1440801130.db2.gz OLIMMSBRXJAGGM-UHFFFAOYSA-N 0 1 333.476 3.338 20 30 EGEDMN C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)c(F)c1 ZINC001755312505 1440814024 /nfs/dbraw/zinc/81/40/24/1440814024.db2.gz GCWXTOQQEPGJQI-HUUCEWRRSA-N 0 1 331.435 3.236 20 30 EGEDMN CC#CCCCC(=O)NC1(CN[C@@H](C)c2cnccn2)CCCCC1 ZINC001755353881 1440828682 /nfs/dbraw/zinc/82/86/82/1440828682.db2.gz ZZDDMRAABBNMQJ-KRWDZBQOSA-N 0 1 342.487 3.140 20 30 EGEDMN C=CCCCCCN1CCO[C@]2(CCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001755402167 1440842946 /nfs/dbraw/zinc/84/29/46/1440842946.db2.gz ZSOBRYUOLORNMQ-PHKMIBKXSA-N 0 1 334.504 3.392 20 30 EGEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)[C@](C)(F)CCCC)C2)C1 ZINC001755402213 1440843123 /nfs/dbraw/zinc/84/31/23/1440843123.db2.gz NVMITRORTOYBPL-MOPGFXCFSA-N 0 1 340.483 3.174 20 30 EGEDMN CC1(CC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)CC2(C)C)CC1 ZINC001755410041 1440845815 /nfs/dbraw/zinc/84/58/15/1440845815.db2.gz KANWOGQWIKAPLK-QGZVFWFLSA-N 0 1 325.456 3.075 20 30 EGEDMN C=CCN1C[C@H](NC(=O)C2(Cc3ccccc3F)CC2)C(C)(C)C1 ZINC001755410960 1440846336 /nfs/dbraw/zinc/84/63/36/1440846336.db2.gz CSCMYELXYNWVBE-KRWDZBQOSA-N 0 1 330.447 3.161 20 30 EGEDMN C=C[C@H](CC)CC(=O)N[C@H]1CN(Cc2cncc(C)c2)CC1(C)C ZINC001755413940 1440847683 /nfs/dbraw/zinc/84/76/83/1440847683.db2.gz MMHMPKZROASWJL-AEFFLSMTSA-N 0 1 329.488 3.319 20 30 EGEDMN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](CNCc2ncc(Cl)s2)C1 ZINC001755479680 1440859849 /nfs/dbraw/zinc/85/98/49/1440859849.db2.gz WBNRKLMWYXIIQJ-HAQNSBGRSA-N 0 1 341.908 3.383 20 30 EGEDMN C=CCC(CC=C)C(=O)N1CCC(N(C)Cc2cncs2)CC1 ZINC001755529742 1440866694 /nfs/dbraw/zinc/86/66/94/1440866694.db2.gz GXRUYGNHFRHNNY-UHFFFAOYSA-N 0 1 333.501 3.334 20 30 EGEDMN C=CC(C)(C)C(=O)N(C)[C@@H](CNCc1csc(CC)n1)C1CC1 ZINC001755564068 1440875229 /nfs/dbraw/zinc/87/52/29/1440875229.db2.gz GZGPDOQCWPBYAS-HNNXBMFYSA-N 0 1 335.517 3.244 20 30 EGEDMN C[C@@H](CN(C)C(=O)[C@@H]1CC=CCC1)NCC#Cc1ccccc1Cl ZINC001755578014 1440878742 /nfs/dbraw/zinc/87/87/42/1440878742.db2.gz UTOVIFIRGMWEKR-FUHWJXTLSA-N 0 1 344.886 3.484 20 30 EGEDMN C[C@@H](CN(C)C(=O)C12CCC(CC1)C2)NCc1cc(C#N)ccc1F ZINC001755592987 1440881898 /nfs/dbraw/zinc/88/18/98/1440881898.db2.gz PGMZUSKILROWMG-BQTBQCLESA-N 0 1 343.446 3.214 20 30 EGEDMN C[C@@H](CN(C)C(=O)[C@@H]1CCC1(C)C)NCc1cc(C#N)ccc1F ZINC001755600501 1440883868 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1339381433 /nfs/dbraw/zinc/38/14/33/1339381433.db2.gz PSWUQHLFKFDCAB-CALCHBBNSA-N 0 1 337.423 3.207 20 30 EGEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)c(F)ccc2C ZINC001017689090 1339391620 /nfs/dbraw/zinc/39/16/20/1339391620.db2.gz MTLLDKAQQBMTJA-GASCZTMLSA-N 0 1 341.430 3.480 20 30 EGEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(OCC)cc1 ZINC001017694443 1339392649 /nfs/dbraw/zinc/39/26/49/1339392649.db2.gz XJLZUBCVICURIT-KDURUIRLSA-N 0 1 342.483 3.269 20 30 EGEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccco2)on1 ZINC001017781952 1339419364 /nfs/dbraw/zinc/41/93/64/1339419364.db2.gz OUMRUODCYYMWRG-GASCZTMLSA-N 0 1 341.411 3.190 20 30 EGEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCOc2ccccc21 ZINC001017789923 1339421613 /nfs/dbraw/zinc/42/16/13/1339421613.db2.gz DBGPOEPFJXUBQE-OKZBNKHCSA-N 0 1 340.467 3.194 20 30 EGEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(Cl)cs1 ZINC001017850341 1339430726 /nfs/dbraw/zinc/43/07/26/1339430726.db2.gz NDVPASLDFZYDIG-TXEJJXNPSA-N 0 1 325.865 3.052 20 30 EGEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001017867870 1339435430 /nfs/dbraw/zinc/43/54/30/1339435430.db2.gz PRYXBPKXCVOVQF-IYBDPMFKSA-N 0 1 339.439 3.041 20 30 EGEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C(C)C)c1C1CC1 ZINC001018157202 1339518066 /nfs/dbraw/zinc/51/80/66/1339518066.db2.gz GMOPEIUYWLTMRU-CALCHBBNSA-N 0 1 342.487 3.206 20 30 EGEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1OCCc2ccsc21 ZINC001018193188 1339526835 /nfs/dbraw/zinc/52/68/35/1339526835.db2.gz SEVMMPJUPMGAGA-IXDOHACOSA-N 0 1 346.496 3.003 20 30 EGEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2ccccc2n1 ZINC001018209639 1339533993 /nfs/dbraw/zinc/53/39/93/1339533993.db2.gz ZNXOXAVYWVMNCM-HDICACEKSA-N 0 1 335.451 3.490 20 30 EGEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2[nH]ccc2s1 ZINC001018220700 1339538112 /nfs/dbraw/zinc/53/81/12/1339538112.db2.gz XMZAWCQZQHOMHQ-OKILXGFUSA-N 0 1 329.469 3.484 20 30 EGEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C(C)(C)C)n1 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3.220 20 30 EGEDMN Cc1cc(C(=O)NC[C@H]2CCCN2Cc2cccc(C#N)c2)cs1 ZINC001028202385 1340481130 /nfs/dbraw/zinc/48/11/30/1340481130.db2.gz YMXJWVSKKYFSLF-GOSISDBHSA-N 0 1 339.464 3.323 20 30 EGEDMN Cc1ccc(C(=O)NC[C@H]2CCN(Cc3ccc(C#N)s3)C2)s1 ZINC001028377017 1340605882 /nfs/dbraw/zinc/60/58/82/1340605882.db2.gz BFIPMKAIUYERCC-CYBMUJFWSA-N 0 1 345.493 3.242 20 30 EGEDMN Cc1cc(C)c(C(=O)NC[C@@H]2CCN(Cc3ccccc3C#N)C2)o1 ZINC001028462556 1340653715 /nfs/dbraw/zinc/65/37/15/1340653715.db2.gz IYJHPSKJEJJIFO-INIZCTEOSA-N 0 1 337.423 3.020 20 30 EGEDMN Cc1sccc1C(=O)NC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001028533195 1340691555 /nfs/dbraw/zinc/69/15/55/1340691555.db2.gz TZBVMTAOJXBBNY-SFHVURJKSA-N 0 1 338.476 3.160 20 30 EGEDMN N#Cc1ccccc1CN1CC[C@H](CNC(=O)c2[nH]ccc2C2CC2)C1 ZINC001028588372 1340716139 /nfs/dbraw/zinc/71/61/39/1340716139.db2.gz CPHNEHKNHHDWMF-OAHLLOKOSA-N 0 1 348.450 3.016 20 30 EGEDMN CC1(C)CC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC001028744731 1340784744 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EGEDMN CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001029893472 1341107991 /nfs/dbraw/zinc/10/79/91/1341107991.db2.gz LNAWYFFLVDRBCE-AWEZNQCLSA-N 0 1 331.435 3.024 20 30 EGEDMN CC#CCN1CCC[C@H](N(Cc2ccccc2)C(=O)c2[nH]ccc2C)C1 ZINC001029919898 1341119252 /nfs/dbraw/zinc/11/92/52/1341119252.db2.gz KEJDMDXAWZIKCW-FQEVSTJZSA-N 0 1 349.478 3.453 20 30 EGEDMN C=CCN1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001029921589 1341120489 /nfs/dbraw/zinc/12/04/89/1341120489.db2.gz LURSPQTWUORRMT-MISYRCLQSA-N 0 1 342.483 3.233 20 30 EGEDMN C=C[C@](C)(CC)C(=O)N1CCC(CN(C)Cc2cc(C)n(C)n2)CC1 ZINC001029990059 1341147801 /nfs/dbraw/zinc/14/78/01/1341147801.db2.gz GHNCMFUVPDABEX-HXUWFJFHSA-N 0 1 346.519 3.001 20 30 EGEDMN Cc1coc(C)c1C(=O)N1CC2(C1)CCN(CC#Cc1ccccc1)C2 ZINC001072689553 1355389419 /nfs/dbraw/zinc/38/94/19/1355389419.db2.gz BMBSODXJMPGRGL-UHFFFAOYSA-N 0 1 348.446 3.096 20 30 EGEDMN C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1CN2[C@@H]1CCc2ccccc21 ZINC001032447520 1341512948 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EGEDMN CN(C(=O)C1C(C)(C)C1(C)C)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001032985128 1341685712 /nfs/dbraw/zinc/68/57/12/1341685712.db2.gz CYJGFDUTJVJZDO-KRWDZBQOSA-N 0 1 339.483 3.273 20 30 EGEDMN C#Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3cccc(OC)c3)C2)cc1 ZINC001033322800 1341781163 /nfs/dbraw/zinc/78/11/63/1341781163.db2.gz NQCWOSSHRNHCSG-FQEVSTJZSA-N 0 1 348.446 3.023 20 30 EGEDMN CN(C(=O)[C@@]12C[C@@H]1CCCC2)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033403843 1341815944 /nfs/dbraw/zinc/81/59/44/1341815944.db2.gz YXBXNJJRAZKIFW-ZVDOUQERSA-N 0 1 337.467 3.171 20 30 EGEDMN CCN(C(=O)[C@H]1CC=CCC1)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033749165 1341994011 /nfs/dbraw/zinc/99/40/11/1341994011.db2.gz ARNQRJNXAMXYFP-PMACEKPBSA-N 0 1 337.467 3.337 20 30 EGEDMN CCN(C(=O)C1C=CC=CC=C1)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033842920 1342039520 /nfs/dbraw/zinc/03/95/20/1342039520.db2.gz PPWZIRXWZWMBDV-NRFANRHFSA-N 0 1 347.462 3.279 20 30 EGEDMN C=CCN1CC[C@H](N(CC)C(=O)c2csc(C(F)(F)F)c2)C1 ZINC001033890837 1342065444 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EGEDMN Cn1ccc2c1cccc2C(=O)C(C#N)c1nc(N)c2ccccc2n1 ZINC001343445230 1390714469 /nfs/dbraw/zinc/71/44/69/1390714469.db2.gz BJVDIUZPKBUPAY-HNNXBMFYSA-N 0 1 341.374 3.194 20 30 EGEDMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C#Cc1cccs1 ZINC001344099699 1390755430 /nfs/dbraw/zinc/75/54/30/1390755430.db2.gz RVLMZVSAZXZBMQ-KRWDZBQOSA-N 0 1 338.476 3.223 20 30 EGEDMN C#CCN1CCC(OC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC001344373147 1390787497 /nfs/dbraw/zinc/78/74/97/1390787497.db2.gz LMYYABYCSTYFJI-UHFFFAOYSA-N 0 1 349.434 3.199 20 30 EGEDMN Cc1nn(C)c2nc(C3CC3)cc(C(=O)C(C#N)c3cccc(F)n3)c12 ZINC001344605017 1390802766 /nfs/dbraw/zinc/80/27/66/1390802766.db2.gz ILLJHTBUGHKMIG-CYBMUJFWSA-N 0 1 349.369 3.178 20 30 EGEDMN CCn1ccnc1C(C#N)C(=O)c1nc(-c2cccs2)oc1C ZINC001345647331 1390871926 /nfs/dbraw/zinc/87/19/26/1390871926.db2.gz WLOOSGOHDLZONJ-NSHDSACASA-N 0 1 326.381 3.418 20 30 EGEDMN CCn1ccnc1[C@@H](C#N)C(=O)c1nc(-c2cccs2)oc1C ZINC001345647331 1390871927 /nfs/dbraw/zinc/87/19/27/1390871927.db2.gz 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EGEDMN CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CCN1CC#Cc1ccccc1 ZINC001087694910 1359595352 /nfs/dbraw/zinc/59/53/52/1359595352.db2.gz AXRLERZMSPDMIB-XIYVOTBMSA-N 0 1 336.479 3.053 20 30 EGEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H]1CC ZINC001087807055 1359656081 /nfs/dbraw/zinc/65/60/81/1359656081.db2.gz OSCGJMPNZBBETD-JKSUJKDBSA-N 0 1 338.373 3.311 20 30 EGEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)[C@H]1CC ZINC001087835826 1359671164 /nfs/dbraw/zinc/67/11/64/1359671164.db2.gz SJWDOVKUTGFSGB-JEBQAFNWSA-N 0 1 334.410 3.061 20 30 EGEDMN CCCC(=O)N1C[C@H]2CCN(CC#Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001087865288 1359687710 /nfs/dbraw/zinc/68/77/10/1359687710.db2.gz RSPMAHJNXHGSBW-MSOLQXFVSA-N 0 1 344.886 3.272 20 30 EGEDMN N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)C4=CCCC4)C[C@@H]3C2)s1 ZINC001087932923 1359714154 /nfs/dbraw/zinc/71/41/54/1359714154.db2.gz SCBQXSMEPVBGGT-CVEARBPZSA-N 0 1 341.480 3.010 20 30 EGEDMN Cc1coc(C(=O)N2C[C@H]3CCN(Cc4ccccc4C#N)C[C@H]3C2)c1 ZINC001088075380 1359746628 /nfs/dbraw/zinc/74/66/28/1359746628.db2.gz GJEWTSZUUHYIJA-MOPGFXCFSA-N 0 1 349.434 3.054 20 30 EGEDMN CCC1(C(=O)N2C[C@H]3CCN(Cc4ccccc4C#N)C[C@H]3C2)CC1 ZINC001088095118 1359754093 /nfs/dbraw/zinc/75/40/93/1359754093.db2.gz SZEAPQXUSGAEES-MOPGFXCFSA-N 0 1 337.467 3.029 20 30 EGEDMN CCCc1nc(CN[C@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)cs1 ZINC001088280987 1359825727 /nfs/dbraw/zinc/82/57/27/1359825727.db2.gz GBFNLZARUUJFSM-CABCVRRESA-N 0 1 348.516 3.116 20 30 EGEDMN N#Cc1ccccc1CN[C@H]1CCCCCN(C(=O)[C@H]2CC2(F)F)C1 ZINC001088310059 1359829844 /nfs/dbraw/zinc/82/98/44/1359829844.db2.gz NDSMFUNSWKYHSI-DLBZAZTESA-N 0 1 347.409 3.074 20 30 EGEDMN CC(C)[C@H](F)C(=O)N1CCCCC[C@@H](NCc2ccccc2C#N)C1 ZINC001088365961 1359850004 /nfs/dbraw/zinc/85/00/04/1359850004.db2.gz YKOHVBJMABMDMR-MOPGFXCFSA-N 0 1 345.462 3.413 20 30 EGEDMN C=C[C@](C)(CC)C(=O)N1CCCCC[C@H](NCc2nccnc2C)C1 ZINC001088374445 1359856464 /nfs/dbraw/zinc/85/64/64/1359856464.db2.gz HUXSOTHMTMUTKJ-FXAWDEMLSA-N 0 1 344.503 3.248 20 30 EGEDMN C=C[C@](C)(CC)C(=O)N1CCCCC[C@@H](NCc2nccn2CC)C1 ZINC001088374932 1359856850 /nfs/dbraw/zinc/85/68/50/1359856850.db2.gz SDOMJICUXYNBTR-YLJYHZDGSA-N 0 1 346.519 3.366 20 30 EGEDMN CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H]1C ZINC001088843092 1360077873 /nfs/dbraw/zinc/07/78/73/1360077873.db2.gz QDNNFUWUPSUNSH-AXUOBQJMSA-N 0 1 325.456 3.073 20 30 EGEDMN C[C@@H](C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H]1C)c1ccccc1 ZINC001088993613 1360128015 /nfs/dbraw/zinc/12/80/15/1360128015.db2.gz SBZWQQSRVKKJCN-LZJOCLMNSA-N 0 1 347.462 3.441 20 30 EGEDMN CC1(C)C[C@H](NC(=O)C2CCC2)CCN(Cc2ccccc2C#N)C1 ZINC001089294247 1360311210 /nfs/dbraw/zinc/31/12/10/1360311210.db2.gz XSEFDJBRWQJTQH-LJQANCHMSA-N 0 1 339.483 3.465 20 30 EGEDMN C=C(Cl)CN1CC[C@H](NC(=O)c2c(C)ccn2C)CC(C)(C)C1 ZINC001089369103 1360376690 /nfs/dbraw/zinc/37/66/90/1360376690.db2.gz ABDMZFNIOSCXLC-HNNXBMFYSA-N 0 1 337.895 3.306 20 30 EGEDMN CC(C)(CC(=O)N1CC[C@@H](NCc2ccccc2C#N)C1)CC(F)F ZINC001184415489 1387454303 /nfs/dbraw/zinc/45/43/03/1387454303.db2.gz BXWRCBSTYMNDKO-MRXNPFEDSA-N 0 1 349.425 3.320 20 30 EGEDMN C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2C#N)CC(C)(C)C1 ZINC001089464930 1360449490 /nfs/dbraw/zinc/44/94/90/1360449490.db2.gz MIRQBPSMWWNWAV-AYOQOUSVSA-N 0 1 339.483 3.321 20 30 EGEDMN C=C(Cl)CN1CC[C@@H](NC(=O)c2cnoc2CC)CC(C)(C)C1 ZINC001089505406 1360478421 /nfs/dbraw/zinc/47/84/21/1360478421.db2.gz HGKFVHCXKWEARS-CYBMUJFWSA-N 0 1 339.867 3.210 20 30 EGEDMN C=C(Cl)CN1CC[C@H](NC(=O)c2ccc(OC)o2)CC(C)(C)C1 ZINC001089528678 1360491581 /nfs/dbraw/zinc/49/15/81/1360491581.db2.gz MENCSZDBGVRKSQ-ZDUSSCGKSA-N 0 1 340.851 3.261 20 30 EGEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nc1C ZINC001089636359 1360551217 /nfs/dbraw/zinc/55/12/17/1360551217.db2.gz AYBNDIOFVRWIBD-MRXNPFEDSA-N 0 1 346.519 3.353 20 30 EGEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001089642382 1360555395 /nfs/dbraw/zinc/55/53/95/1360555395.db2.gz KOSUXHXLZVBRCR-CVEARBPZSA-N 0 1 344.503 3.187 20 30 EGEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001089641984 1360555663 /nfs/dbraw/zinc/55/56/63/1360555663.db2.gz YLCSTCZFBVFWQV-OAHLLOKOSA-N 0 1 345.487 3.216 20 30 EGEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(OC(C)C)nc1 ZINC001089645839 1360558115 /nfs/dbraw/zinc/55/81/15/1360558115.db2.gz AWUAUZKDZUSYPI-QGZVFWFLSA-N 0 1 345.487 3.275 20 30 EGEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1nsc2ccccc21 ZINC001089645443 1360558496 /nfs/dbraw/zinc/55/84/96/1360558496.db2.gz ULMKHCOSGUJCLN-CQSZACIVSA-N 0 1 341.480 3.150 20 30 EGEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001089647080 1360560374 /nfs/dbraw/zinc/56/03/74/1360560374.db2.gz RZBFZBNCTFXNNU-JKSUJKDBSA-N 0 1 332.492 3.261 20 30 EGEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH]c2ccccc12 ZINC001089665851 1360576016 /nfs/dbraw/zinc/57/60/16/1360576016.db2.gz HCDXUTNHRJFWPG-INIZCTEOSA-N 0 1 337.467 3.412 20 30 EGEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001089666535 1360576906 /nfs/dbraw/zinc/57/69/06/1360576906.db2.gz SGULRQRHWZKLNZ-SFHVURJKSA-N 0 1 341.499 3.367 20 30 EGEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001089671436 1360581701 /nfs/dbraw/zinc/58/17/01/1360581701.db2.gz RXGVHZGFYVBHIJ-QGZVFWFLSA-N 0 1 338.455 3.036 20 30 EGEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001089676915 1360585129 /nfs/dbraw/zinc/58/51/29/1360585129.db2.gz RCGQWOLFFYBWRZ-AWEZNQCLSA-N 0 1 343.427 3.341 20 30 EGEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001089685349 1360591269 /nfs/dbraw/zinc/59/12/69/1360591269.db2.gz BWMLPDMTXUHXRM-CQSZACIVSA-N 0 1 334.410 3.209 20 30 EGEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001089687466 1360593277 /nfs/dbraw/zinc/59/32/77/1360593277.db2.gz KOSNOUIXZKXNBL-GOSISDBHSA-N 0 1 337.467 3.412 20 30 EGEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001089715385 1360617819 /nfs/dbraw/zinc/61/78/19/1360617819.db2.gz VXLSDZUNVRAPOF-MRXNPFEDSA-N 0 1 348.874 3.202 20 30 EGEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(OC)c1F ZINC001089716636 1360618375 /nfs/dbraw/zinc/61/83/75/1360618375.db2.gz NEHTZJAMTSPTAU-AWEZNQCLSA-N 0 1 334.435 3.241 20 30 EGEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001089728525 1360631730 /nfs/dbraw/zinc/63/17/30/1360631730.db2.gz ADZUZXHXSLYYBZ-UYSNPLJNSA-N 0 1 340.458 3.298 20 30 EGEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001089728859 1360632070 /nfs/dbraw/zinc/63/20/70/1360632070.db2.gz FBYHOTWOPKQYSI-SFHVURJKSA-N 0 1 339.483 3.203 20 30 EGEDMN Cc1cc(C(=O)NCC2CC(NCc3ccccc3C#N)C2)c(C)o1 ZINC001090923994 1360955185 /nfs/dbraw/zinc/95/51/85/1360955185.db2.gz LRNCAOHXTKPUPG-UHFFFAOYSA-N 0 1 337.423 3.066 20 30 EGEDMN C=C1CCC(C(=O)NCC2CC(NCc3nc(C)cs3)C2)CC1 ZINC001091213446 1361008945 /nfs/dbraw/zinc/00/89/45/1361008945.db2.gz MWPRTCVCYPGJMG-UHFFFAOYSA-N 0 1 333.501 3.182 20 30 EGEDMN C=C1CCC(C(=O)NCC2CC(NCc3cc(C4CC4)no3)C2)CC1 ZINC001091216175 1361010140 /nfs/dbraw/zinc/01/01/40/1361010140.db2.gz WGUOTBGZLQZMQR-UHFFFAOYSA-N 0 1 343.471 3.283 20 30 EGEDMN Cc1cc(C(=O)NCC2CC(NCc3ccccc3C#N)C2)cs1 ZINC001091282200 1361030523 /nfs/dbraw/zinc/03/05/23/1361030523.db2.gz BEIFYHMALLLJTP-UHFFFAOYSA-N 0 1 339.464 3.226 20 30 EGEDMN C=C(C)CCC(=O)N(C)CCCCCCNc1ncnc2[nH]cnc21 ZINC001091744089 1361206590 /nfs/dbraw/zinc/20/65/90/1361206590.db2.gz SCTVAJCIZBXNGU-UHFFFAOYSA-N 0 1 344.463 3.092 20 30 EGEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CN(Cc3cc(C)ns3)C[C@@]2(C)C1 ZINC001091910468 1361243918 /nfs/dbraw/zinc/24/39/18/1361243918.db2.gz YCROHPMWGZSJRL-BEFAXECRSA-N 0 1 347.528 3.334 20 30 EGEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)[C@H](C)C1 ZINC001092903332 1361482639 /nfs/dbraw/zinc/48/26/39/1361482639.db2.gz IVVMCPDPBKFXHR-DVOMOZLQSA-N 0 1 348.874 3.233 20 30 EGEDMN C=C(Cl)CN1CC2(CCC2)[C@@H]1C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001093371009 1361580399 /nfs/dbraw/zinc/58/03/99/1361580399.db2.gz IUWPORQOGVYRCI-KRWDZBQOSA-N 0 1 347.890 3.474 20 30 EGEDMN C=C(C)CCN1CC(OC2CCN(C(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)C1 ZINC001093548554 1361639054 /nfs/dbraw/zinc/63/90/54/1361639054.db2.gz HPEQVUPOBGZCNQ-PWIZWCRZSA-N 0 1 346.515 3.081 20 30 EGEDMN C=CC(C)(C)C(=O)N1CCC(OC2CN(CCCC3CCC3)C2)CC1 ZINC001093559032 1361642097 /nfs/dbraw/zinc/64/20/97/1361642097.db2.gz ILQNZEFKMWRMMB-UHFFFAOYSA-N 0 1 348.531 3.471 20 30 EGEDMN O=C(NC[C@]12CCC[C@H]1N(CC#Cc1ccccc1)CC2)c1ccco1 ZINC001094347297 1361771717 /nfs/dbraw/zinc/77/17/17/1361771717.db2.gz LFXMEXXPVLPWAD-IFMALSPDSA-N 0 1 348.446 3.306 20 30 EGEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nsc3ccccc31)C2 ZINC001095461985 1362149801 /nfs/dbraw/zinc/14/98/01/1362149801.db2.gz WKBQTMOTEPMTSP-SNPRPXQTSA-N 0 1 327.453 3.208 20 30 EGEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ncccc3s1)C2 ZINC001095864553 1362258952 /nfs/dbraw/zinc/25/89/52/1362258952.db2.gz QVYQQFCKJHETCN-IPYPFGDCSA-N 0 1 327.453 3.208 20 30 EGEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccc(Cl)s1)C2 ZINC001096303180 1362456793 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C=C(Cl)CNC1(CNC(=O)c2ccccc2OC2CCC2)CC1 ZINC001699662315 1413046550 /nfs/dbraw/zinc/04/65/50/1413046550.db2.gz OJLJTLVPECSTLG-UHFFFAOYSA-N 0 1 334.847 3.222 20 30 EGEDMN C=C(Cl)CNC[C@@H](NC(=O)c1ccc2[nH]ccc2n1)C1CCCC1 ZINC001699793202 1413200445 /nfs/dbraw/zinc/20/04/45/1413200445.db2.gz TXWPCBBECLIVSE-QGZVFWFLSA-N 0 1 346.862 3.194 20 30 EGEDMN C[C@@H]1C[C@@H](NC(=O)C(C)(C)C(F)F)CCN1Cc1ccccc1C#N ZINC001700318780 1413781754 /nfs/dbraw/zinc/78/17/54/1413781754.db2.gz WKFILAYVSSZEHR-CJNGLKHVSA-N 0 1 349.425 3.319 20 30 EGEDMN C=C(Cl)CN1CC[C@@H]([C@H]2CCCN(C(=O)CCCC(C)=O)C2)C1 ZINC001700361561 1413874634 /nfs/dbraw/zinc/87/46/34/1413874634.db2.gz AEPRTVAWMQPVKX-DLBZAZTESA-N 0 1 340.895 3.059 20 30 EGEDMN C=C(Cl)CNC1(CNC(=O)c2c(F)cc(C)cc2F)CCC1 ZINC001733719036 1429939365 /nfs/dbraw/zinc/93/93/65/1429939365.db2.gz XNWWQSQABWCSKW-UHFFFAOYSA-N 0 1 328.790 3.268 20 30 EGEDMN Cc1cccc(C(=O)N[C@@H](C)CNCc2cc(C#N)ccc2F)c1C ZINC001733021978 1429141193 /nfs/dbraw/zinc/14/11/93/1429141193.db2.gz 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1429282597 /nfs/dbraw/zinc/28/25/97/1429282597.db2.gz UQGYBDHHSUQFRO-LJQANCHMSA-N 0 1 337.467 3.123 20 30 EGEDMN CC[C@@H](CNC(=O)Cc1cc(C)cc(C)c1)NCc1ccccc1C#N ZINC001714099088 1418894941 /nfs/dbraw/zinc/89/49/41/1418894941.db2.gz UBIJSAGFIWSCFB-NRFANRHFSA-N 0 1 349.478 3.402 20 30 EGEDMN CC1(CC(=O)NC[C@H]2CCCCN2Cc2cccc(C#N)c2)CC1 ZINC001714109417 1418910330 /nfs/dbraw/zinc/91/03/30/1418910330.db2.gz JSOWLJPNSZMFGN-GOSISDBHSA-N 0 1 325.456 3.219 20 30 EGEDMN C=C(Cl)CN[C@H](CC)CNC(=O)c1ccc(OC)cc1Cl ZINC001714112156 1418913863 /nfs/dbraw/zinc/91/38/63/1418913863.db2.gz NRELBBKMGQLHED-LLVKDONJSA-N 0 1 331.243 3.199 20 30 EGEDMN C=C(Br)CN[C@H](CC)CNC(=O)c1ccoc1CCC ZINC001714113255 1418914807 /nfs/dbraw/zinc/91/48/07/1418914807.db2.gz DMACNFUPALWCKF-GFCCVEGCSA-N 0 1 343.265 3.239 20 30 EGEDMN C=C(Br)CN[C@H](C)CNC(=O)c1ccccc1C(C)C ZINC001714240538 1419029697 /nfs/dbraw/zinc/02/96/97/1419029697.db2.gz NNUZJXNFAKZJFD-CYBMUJFWSA-N 0 1 339.277 3.427 20 30 EGEDMN C=CCCC(=O)N1CC[C@H](NCc2cc(-c3ccc(C)cc3)no2)C1 ZINC001714320900 1419099605 /nfs/dbraw/zinc/09/96/05/1419099605.db2.gz JYPOKJITBQKAQE-KRWDZBQOSA-N 0 1 339.439 3.307 20 30 EGEDMN C=C(Cl)CNCc1ccc(CNC(=O)c2cnn(CCC)c2)cc1 ZINC001714322376 1419100687 /nfs/dbraw/zinc/10/06/87/1419100687.db2.gz YTVUVHHWCWQZFT-UHFFFAOYSA-N 0 1 346.862 3.065 20 30 EGEDMN N#Cc1ccc(CN2CCC(CCNC(=O)c3ccoc3)CC2)s1 ZINC001714325082 1419103955 /nfs/dbraw/zinc/10/39/55/1419103955.db2.gz SMDDFZGTQNFBJA-UHFFFAOYSA-N 0 1 343.452 3.245 20 30 EGEDMN C=C(Cl)CN1CCC(CCNC(=O)c2cc3cnccc3o2)CC1 ZINC001714327875 1419106927 /nfs/dbraw/zinc/10/69/27/1419106927.db2.gz KSCXIJIACMSRIV-UHFFFAOYSA-N 0 1 347.846 3.412 20 30 EGEDMN C[C@@H](C(=O)NCCN(C)Cc1ccc(C#N)cc1)c1cccc(F)c1 ZINC001714573482 1419307513 /nfs/dbraw/zinc/30/75/13/1419307513.db2.gz UWQAKGRZQRHNOK-OAHLLOKOSA-N 0 1 339.414 3.049 20 30 EGEDMN C=C(Cl)CN(C)C[C@@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC001714903531 1419645522 /nfs/dbraw/zinc/64/55/22/1419645522.db2.gz 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ZINC001715453723 1420136042 /nfs/dbraw/zinc/13/60/42/1420136042.db2.gz BOOHUFNEPAQELJ-DOMZBBRYSA-N 0 1 326.893 3.260 20 30 EGEDMN C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc2cnccc2o1 ZINC001715482924 1420162157 /nfs/dbraw/zinc/16/21/57/1420162157.db2.gz RBSOHAHTGXRIJM-SWLSCSKDSA-N 0 1 347.846 3.411 20 30 EGEDMN CCC(C)(CC)C(=O)N(C)CCN(C)Cc1ccc(OC)c(C#N)c1 ZINC001715537988 1420235107 /nfs/dbraw/zinc/23/51/07/1420235107.db2.gz YFHCJODCRAUXAH-UHFFFAOYSA-N 0 1 345.487 3.283 20 30 EGEDMN C=C(Br)CNC[C@@H](C)NC(=O)CC1(C)CCCCC1 ZINC001716404145 1420637107 /nfs/dbraw/zinc/63/71/07/1420637107.db2.gz YKBBNXHRZOMNSM-CYBMUJFWSA-N 0 1 331.298 3.350 20 30 EGEDMN C=C(Br)CNC[C@H](C)NC(=O)c1ccc2ccccc2c1 ZINC001716461555 1420674674 /nfs/dbraw/zinc/67/46/74/1420674674.db2.gz RULYLMNKWUDXHK-ZDUSSCGKSA-N 0 1 347.256 3.456 20 30 EGEDMN C=C(Cl)CN(CCNC(=O)COC(C)C)C1CCCCCC1 ZINC001716712991 1420865650 /nfs/dbraw/zinc/86/56/50/1420865650.db2.gz HZSKEMZLSBJZIR-UHFFFAOYSA-N 0 1 330.900 3.305 20 30 EGEDMN C=C(Br)CNC[C@H]1CCCN1C(=O)CC(CC)CC ZINC001716786769 1420922080 /nfs/dbraw/zinc/92/20/80/1420922080.db2.gz BLFQUTHKZBRWEW-CQSZACIVSA-N 0 1 331.298 3.302 20 30 EGEDMN C=C(Cl)CNC[C@H](NC(=O)COc1ccccc1)C1CCCC1 ZINC001716823564 1420949902 /nfs/dbraw/zinc/94/99/02/1420949902.db2.gz JQZLHPUYQNXPKX-KRWDZBQOSA-N 0 1 336.863 3.083 20 30 EGEDMN CN(CCCN(C)C(=O)CC1(C)CC1)Cc1cc(C#N)ccc1F ZINC001717209175 1421181456 /nfs/dbraw/zinc/18/14/56/1421181456.db2.gz ZFBNAMWLDWLVOL-UHFFFAOYSA-N 0 1 331.435 3.168 20 30 EGEDMN CC(C)[C@H](C)C(=O)N(C)CCCN(C)Cc1cc(C#N)ccc1F ZINC001717212701 1421187416 /nfs/dbraw/zinc/18/74/16/1421187416.db2.gz KREILMVKDXLVBR-HNNXBMFYSA-N 0 1 333.451 3.270 20 30 EGEDMN C[C@@H](CNC(=O)CCC1CCC1)N(C)Cc1ccc(F)c(C#N)c1 ZINC001717467922 1421400466 /nfs/dbraw/zinc/40/04/66/1421400466.db2.gz DFZZJFZSDCQURF-AWEZNQCLSA-N 0 1 331.435 3.214 20 30 EGEDMN C[C@H](CN(C)C(=O)C12CCC(CC1)CC2)NCc1ccccc1C#N ZINC001717753784 1421616759 /nfs/dbraw/zinc/61/67/59/1421616759.db2.gz HOBRLTLZUUBOHI-ZGGTZUKQSA-N 0 1 339.483 3.465 20 30 EGEDMN Cc1cocc1C(=O)N[C@H](CNCc1ccccc1C#N)C(C)(C)C ZINC001717964800 1421736088 /nfs/dbraw/zinc/73/60/88/1421736088.db2.gz DRJGDOMMLHNHLK-GOSISDBHSA-N 0 1 339.439 3.394 20 30 EGEDMN CCC(C)(C)CC(=O)N[C@]1(C)CCN(Cc2ccc(C#N)cc2)C1 ZINC001733403559 1429599241 /nfs/dbraw/zinc/59/92/41/1429599241.db2.gz NUJADEOSNPANFL-HXUWFJFHSA-N 0 1 327.472 3.465 20 30 EGEDMN CCCCC(=O)N1CCC[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001724646846 1425003313 /nfs/dbraw/zinc/00/33/13/1425003313.db2.gz KAEZMCBASFXEFL-PKOBYXMFSA-N 0 1 343.446 3.310 20 30 EGEDMN C=C(Cl)CN[C@H](C)CN(C)C(=O)Cc1cccc(C(F)F)c1 ZINC001725504729 1426186751 /nfs/dbraw/zinc/18/67/51/1426186751.db2.gz RZJONTXAJJDENN-GFCCVEGCSA-N 0 1 330.806 3.356 20 30 EGEDMN C=C(Cl)CNC[C@@H](NC(=O)c1cccc2nccnc21)C(C)(C)C ZINC001725754887 1426434220 /nfs/dbraw/zinc/43/42/20/1426434220.db2.gz KZGNRSSQTPLBFI-OAHLLOKOSA-N 0 1 346.862 3.116 20 30 EGEDMN C=CC[N@H+](Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000823919753 1426846605 /nfs/dbraw/zinc/84/66/05/1426846605.db2.gz PEQQEEAGZFLPJL-UHFFFAOYSA-N 0 1 335.411 3.064 20 30 EGEDMN C=CC[N@@H+](Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000823919753 1426846613 /nfs/dbraw/zinc/84/66/13/1426846613.db2.gz PEQQEEAGZFLPJL-UHFFFAOYSA-N 0 1 335.411 3.064 20 30 EGEDMN C=C(Cl)CN[C@H](CNC(=O)c1cc2ccccc2nc1C)C1CC1 ZINC001731396732 1427352738 /nfs/dbraw/zinc/35/27/38/1427352738.db2.gz VCBJIPWIWYTANM-GOSISDBHSA-N 0 1 343.858 3.394 20 30 EGEDMN C=C(Cl)CN[C@H](CNC(=O)CCc1c[nH]c2ccccc12)C1CC1 ZINC001731408394 1427372423 /nfs/dbraw/zinc/37/24/23/1427372423.db2.gz GVFAFSXWSMLISF-GOSISDBHSA-N 0 1 345.874 3.337 20 30 EGEDMN C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)NCc1ccccc1C#N ZINC001731607899 1427653646 /nfs/dbraw/zinc/65/36/46/1427653646.db2.gz HSIVLUIEIIGNSI-MRXNPFEDSA-N 0 1 347.462 3.273 20 30 EGEDMN CC[C@@H](CC(=O)NCCN(C)Cc1ccc(F)c(C#N)c1)C(C)C ZINC001731791810 1427935134 /nfs/dbraw/zinc/93/51/34/1427935134.db2.gz KXZBUNIZJSHIOQ-INIZCTEOSA-N 0 1 333.451 3.318 20 30 EGEDMN CC1(C)CCC[C@H]1C(=O)NCCN(Cc1cccc(C#N)c1)C1CC1 ZINC001731879506 1428148087 /nfs/dbraw/zinc/14/80/87/1428148087.db2.gz VVLHAVBCDRFRHU-IBGZPJMESA-N 0 1 339.483 3.465 20 30 EGEDMN Cc1ccccc1CN1Cc2ccc(CNC(=O)[C@@H](C)C#N)cc2C1 ZINC001733835582 1430106821 /nfs/dbraw/zinc/10/68/21/1430106821.db2.gz GAZGZSXRFLGJBU-INIZCTEOSA-N 0 1 333.435 3.287 20 30 EGEDMN C=C(Cl)CNC[C@H](CCCC)NC(=O)c1cc2ncccc2o1 ZINC001734098522 1437882765 /nfs/dbraw/zinc/88/27/65/1437882765.db2.gz YTPKAKOCEQIZOD-ZDUSSCGKSA-N 0 1 335.835 3.459 20 30 EGEDMN C=C(Cl)CN[C@H](C)[C@H]1CN(C(=O)[C@H]2CC[C@H](CC)CC2)CCO1 ZINC001734181918 1437929679 /nfs/dbraw/zinc/92/96/79/1437929679.db2.gz JQBZTUPTOYCGKO-QBPKDAKJSA-N 0 1 342.911 3.161 20 30 EGEDMN C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)c1ccc2scnc2c1 ZINC001734315886 1438045429 /nfs/dbraw/zinc/04/54/29/1438045429.db2.gz VSXJAVZXAUHJBI-OAHLLOKOSA-N 0 1 349.887 3.489 20 30 EGEDMN C=C(Cl)CNC[C@@H](NC(=O)c1ccccc1COC)C(C)(C)C ZINC001734565163 1438161073 /nfs/dbraw/zinc/16/10/73/1438161073.db2.gz 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/nfs/dbraw/zinc/77/16/60/1360771660.db2.gz OJBSJINSMRROMN-GOSISDBHSA-N 0 1 342.483 3.090 20 30 EGEDMN C=CCN1C[C@H](NC(=O)c2cccc(Cl)c2)CC2(CCOCC2)C1 ZINC001089968868 1360772066 /nfs/dbraw/zinc/77/20/66/1360772066.db2.gz QGFOAJNPNMYYJN-QGZVFWFLSA-N 0 1 348.874 3.127 20 30 EGEDMN C=C(C)CCC(=O)N1CC[C@H](CNCc2ncc(CC)o2)[C@H](C)C1 ZINC001184498498 1387473976 /nfs/dbraw/zinc/47/39/76/1387473976.db2.gz RZIMUZIIVRQPFW-HZPDHXFCSA-N 0 1 333.476 3.168 20 30 EGEDMN C=C(C)CCC(=O)N1CC[C@H](CNCc2nc(C)c(C)o2)[C@@H](C)C1 ZINC001184499087 1387474063 /nfs/dbraw/zinc/47/40/63/1387474063.db2.gz XCDIXDIGGBCHJA-WMLDXEAASA-N 0 1 333.476 3.222 20 30 EGEDMN C[C@@]12CN(CC#Cc3ccccc3)C[C@@H]1CN(C(=O)CC1CCC1)C2 ZINC001091568986 1361147429 /nfs/dbraw/zinc/14/74/29/1361147429.db2.gz UVBCKJWGHNBIIY-IRLDBZIGSA-N 0 1 336.479 3.009 20 30 EGEDMN CC1(C(=O)N2C[C@H]3CN(Cc4ccccc4C#N)C[C@@]3(C)C2)CC=CC1 ZINC001091977280 1361265032 /nfs/dbraw/zinc/26/50/32/1361265032.db2.gz AQHTUJIOZFEXNE-KNQAVFIVSA-N 0 1 349.478 3.195 20 30 EGEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3cc4c([nH]3)CCCC4)C[C@]2(C)C1 ZINC001092177387 1361315787 /nfs/dbraw/zinc/31/57/87/1361315787.db2.gz AJNSGCGVKLHCQV-BEFAXECRSA-N 0 1 347.890 3.040 20 30 EGEDMN C=CCCN1CC2(C1)C[C@@H](NC(=O)C1CCCCCC1)c1nccn12 ZINC001092354579 1361369664 /nfs/dbraw/zinc/36/96/64/1361369664.db2.gz ILBGPQKERNILDX-QGZVFWFLSA-N 0 1 342.487 3.002 20 30 EGEDMN C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)c2ccccc2O)CC1 ZINC001093353896 1361568525 /nfs/dbraw/zinc/56/85/25/1361568525.db2.gz DEQKBWSQRSXULH-LJQANCHMSA-N 0 1 340.467 3.285 20 30 EGEDMN C=C(Cl)CN1CC2(CCC2)[C@H]1C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001093371011 1361580374 /nfs/dbraw/zinc/58/03/74/1361580374.db2.gz IUWPORQOGVYRCI-QGZVFWFLSA-N 0 1 347.890 3.474 20 30 EGEDMN C=C(C)CCN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)C1 ZINC001093553868 1361641154 /nfs/dbraw/zinc/64/11/54/1361641154.db2.gz XMCYATQMYZKLMD-RTBURBONSA-N 0 1 348.531 3.327 20 30 EGEDMN C=C1CCC(C(=O)N2CCC(OC3CN(C[C@H](C)CC)C3)CC2)CC1 ZINC001093567527 1361644682 /nfs/dbraw/zinc/64/46/82/1361644682.db2.gz SIEPDVYJJMXTAG-MRXNPFEDSA-N 0 1 348.531 3.471 20 30 EGEDMN C=C(C)CCN1CC(OC2CCN(C(=O)[C@H]3CCC[C@H]3CC)CC2)C1 ZINC001093570960 1361646260 /nfs/dbraw/zinc/64/62/60/1361646260.db2.gz WVNWQLOGVUGDKB-XLIONFOSSA-N 0 1 348.531 3.471 20 30 EGEDMN C=C(C)CCN1CC(OC2CCN(C(=O)[C@H]3CCC(C)(C)C3)CC2)C1 ZINC001093571535 1361646655 /nfs/dbraw/zinc/64/66/55/1361646655.db2.gz VVJFESSOKJORFY-KRWDZBQOSA-N 0 1 348.531 3.471 20 30 EGEDMN CCCCCCCCCCC(=O)NCCNc1ncnc2[nH]cnc21 ZINC001093612348 1361658870 /nfs/dbraw/zinc/65/88/70/1361658870.db2.gz KSCMUKOPURQNDG-UHFFFAOYSA-N 0 1 346.479 3.363 20 30 EGEDMN C=C1CCC(C(=O)N2C[C@@H](CN[C@@H](C)c3csnn3)[C@H](C)C2)CC1 ZINC001094017680 1361725401 /nfs/dbraw/zinc/72/54/01/1361725401.db2.gz BRFMCHZQOSMRBH-IJEWVQPXSA-N 0 1 348.516 3.030 20 30 EGEDMN C=CC(C)(C)C(=O)N1CC[C@@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001184849351 1387548734 /nfs/dbraw/zinc/54/87/34/1387548734.db2.gz BVVJQBUEIKMQIC-QGZVFWFLSA-N 0 1 330.859 3.094 20 30 EGEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c(C)c(C)[nH]c31)C2 ZINC001095635663 1362192269 /nfs/dbraw/zinc/19/22/69/1362192269.db2.gz NKPWOIJRLGBXAE-MNEFBYGVSA-N 0 1 335.451 3.143 20 30 EGEDMN N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C3)cc1 ZINC001095785114 1362227677 /nfs/dbraw/zinc/22/76/77/1362227677.db2.gz APJDFTGJMWSFHH-SSTJLMRISA-N 0 1 349.478 3.216 20 30 EGEDMN CC1(C)CC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1 ZINC001095887648 1362271055 /nfs/dbraw/zinc/27/10/55/1362271055.db2.gz WHGQTMYEWPEWEP-YRXWBPOGSA-N 0 1 337.467 3.216 20 30 EGEDMN C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1)c1ccco1 ZINC001096001188 1362330023 /nfs/dbraw/zinc/33/00/23/1362330023.db2.gz RATSUXOPSVEKOK-VLQPXKRTSA-N 0 1 349.434 3.176 20 30 EGEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(F)c1OCC)C2 ZINC001096248757 1362450429 /nfs/dbraw/zinc/45/04/29/1362450429.db2.gz VIIDPKHVNJPMMH-COXVUDFISA-N 0 1 332.419 3.136 20 30 EGEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC13CC4CC(CC(C4)C1)C3)C2 ZINC001096415160 1362499137 /nfs/dbraw/zinc/49/91/37/1362499137.db2.gz YGYTWSMYBNXDSK-MEJBHDTGSA-N 0 1 340.511 3.338 20 30 EGEDMN Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C#N)cc2)c1 ZINC001096758425 1362690927 /nfs/dbraw/zinc/69/09/27/1362690927.db2.gz SLVWHUUHFXQLCV-NJYVYQBISA-N 0 1 345.446 3.402 20 30 EGEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)cc(OC)c1)C2 ZINC001098084001 1363218163 /nfs/dbraw/zinc/21/81/63/1363218163.db2.gz VPTGUKHYWVMTNQ-OIISXLGYSA-N 0 1 334.847 3.260 20 30 EGEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1C(F)(F)F)C2 ZINC001098140338 1363233582 /nfs/dbraw/zinc/23/35/82/1363233582.db2.gz GLIYDIYTMZZIPP-DFBGVHRSSA-N 0 1 339.361 3.012 20 30 EGEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccc3F)CCC1)C2 ZINC001098197184 1363252448 /nfs/dbraw/zinc/25/24/48/1363252448.db2.gz KGOFFGOHDOTQBB-OLMNPRSZSA-N 0 1 328.431 3.155 20 30 EGEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1C(F)(F)F)C2 ZINC001098287641 1363285446 /nfs/dbraw/zinc/28/54/46/1363285446.db2.gz NLQIVCJSESUGDH-RTXFEEFZSA-N 0 1 342.386 3.125 20 30 EGEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sc(C(C)(C)C)nc1C)C2 ZINC001098502013 1363344677 /nfs/dbraw/zinc/34/46/77/1363344677.db2.gz OQEUMKHBEWOONY-KFWWJZLASA-N 0 1 345.512 3.107 20 30 EGEDMN C=CCN1CC[C@]2(C1)C[C@H](NC(=O)C1(C)CCC1)c1ccccc1O2 ZINC001098541411 1363362835 /nfs/dbraw/zinc/36/28/35/1363362835.db2.gz MCZIIVNVMZVPCV-LAUBAEHRSA-N 0 1 340.467 3.447 20 30 EGEDMN C=CCN1CC[C@]2(C1)C[C@@H](NC(=O)C1CCC1)c1ccccc1O2 ZINC001098541950 1363364623 /nfs/dbraw/zinc/36/46/23/1363364623.db2.gz UUAPDOZCMPUPEH-YLJYHZDGSA-N 0 1 326.440 3.057 20 30 EGEDMN CC#CCN1CCC2(CC1)CN(C(=O)CC1(C)CCCC1)C[C@@H](C)O2 ZINC001098596612 1363392472 /nfs/dbraw/zinc/39/24/72/1363392472.db2.gz WZZUJSUQPUITOV-GOSISDBHSA-N 0 1 346.515 3.062 20 30 EGEDMN Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(Cc2ccc(C#N)cc2)C3)o1 ZINC001098716694 1363447096 /nfs/dbraw/zinc/44/70/96/1363447096.db2.gz OPOUYPAWJWYXDZ-RXVVDRJESA-N 0 1 349.434 3.244 20 30 EGEDMN CCCC(=O)NC[C@H]1CCC(C)(C)CN1Cc1ccc(C#N)cc1 ZINC001098866966 1363497741 /nfs/dbraw/zinc/49/77/41/1363497741.db2.gz AVFZVPPCUPWPPQ-GOSISDBHSA-N 0 1 327.472 3.465 20 30 EGEDMN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2coc3c2cccc3C)C1 ZINC001098877239 1363502090 /nfs/dbraw/zinc/50/20/90/1363502090.db2.gz RGAGPWMXTFZCPZ-KKSFZXQISA-N 0 1 336.435 3.349 20 30 EGEDMN CC(C)C(=O)NC[C@H]1CCC(C)(C)CN1Cc1cccc(C#N)c1 ZINC001098904220 1363513775 /nfs/dbraw/zinc/51/37/75/1363513775.db2.gz BMSQYGICBOUPSV-GOSISDBHSA-N 0 1 327.472 3.321 20 30 EGEDMN C=CCCC(=O)NC[C@@H]1CCC(C)(C)CN1Cc1oc(C)nc1C ZINC001098966388 1363545230 /nfs/dbraw/zinc/54/52/30/1363545230.db2.gz LZQPUFADGYAQPC-INIZCTEOSA-N 0 1 333.476 3.364 20 30 EGEDMN Cc1nc(C)c(CN2CC(C)(C)CC[C@@H]2CNC(=O)[C@H](C)C#N)s1 ZINC001098976260 1363551056 /nfs/dbraw/zinc/55/10/56/1363551056.db2.gz RTBMCIPMYKELHH-IUODEOHRSA-N 0 1 348.516 3.026 20 30 EGEDMN COCC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC1(C)CCCC1 ZINC001099054821 1363597876 /nfs/dbraw/zinc/59/78/76/1363597876.db2.gz LOHMESTWBLWSSD-GOSISDBHSA-N 0 1 348.531 3.213 20 30 EGEDMN CC1(C)CC[C@@H](CNC(=O)C#CC2CC2)N(Cc2cccc(F)c2)C1 ZINC001099064676 1363603510 /nfs/dbraw/zinc/60/35/10/1363603510.db2.gz HGRIQIFVELWPSL-IBGZPJMESA-N 0 1 342.458 3.346 20 30 EGEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)OCCCCCC ZINC001099070298 1363606939 /nfs/dbraw/zinc/60/69/39/1363606939.db2.gz VKYCGVNYKMSOIY-ZWKOTPCHSA-N 0 1 336.520 3.212 20 30 EGEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C/C=C/c1ccccc1F ZINC001099121242 1363635430 /nfs/dbraw/zinc/63/54/30/1363635430.db2.gz JPVXXYKGNYWPBR-PDFOZTTASA-N 0 1 342.458 3.469 20 30 EGEDMN CCCCCCCCC(=O)NCC[C@@H](C)Nc1ncnc2[nH]cnc21 ZINC001099124523 1363638242 /nfs/dbraw/zinc/63/82/42/1363638242.db2.gz WQBBYUVULJVORP-CQSZACIVSA-N 0 1 346.479 3.410 20 30 EGEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OCC)C1CCCC1 ZINC001099158518 1363662628 /nfs/dbraw/zinc/66/26/28/1363662628.db2.gz HWJZEMOBWYLPPC-MOPGFXCFSA-N 0 1 348.531 3.212 20 30 EGEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cc(C)ccc1C ZINC001099213214 1363694329 /nfs/dbraw/zinc/69/43/29/1363694329.db2.gz APINXJGMYRUGON-IBGZPJMESA-N 0 1 326.484 3.086 20 30 EGEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001099234343 1363705760 /nfs/dbraw/zinc/70/57/60/1363705760.db2.gz IEQYHERQHWIAMV-HZPDHXFCSA-N 0 1 332.513 3.482 20 30 EGEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001099264734 1363722335 /nfs/dbraw/zinc/72/23/35/1363722335.db2.gz XMQITRIZEIHICW-JQVVWYNYSA-N 0 1 338.495 3.420 20 30 EGEDMN C=C(C)CCC(=O)N[C@H]1CN(C/C=C/Cl)CC2(CCOCC2)C1 ZINC001099582959 1363864303 /nfs/dbraw/zinc/86/43/03/1363864303.db2.gz FSXGJHHEHKWMFG-ILNGBFOMSA-N 0 1 340.895 3.083 20 30 EGEDMN C=C[C@H](CC)CC(=O)NCC1CC(NCc2nc3ccccc3o2)C1 ZINC001100595174 1364180338 /nfs/dbraw/zinc/18/03/38/1364180338.db2.gz OXZFJHPVPVDOTN-QQFBHYJXSA-N 0 1 341.455 3.415 20 30 EGEDMN C=C[C@H](CC)CC(=O)NCC1CC(NCc2noc3c2CCCC3)C1 ZINC001100595671 1364181015 /nfs/dbraw/zinc/18/10/15/1364181015.db2.gz DGOGSTUEFLVWSP-QQFBHYJXSA-N 0 1 345.487 3.140 20 30 EGEDMN C=CCCCC(=O)NCC1CC(NCc2ccn(C3CCCC3)n2)C1 ZINC001100623358 1364194410 /nfs/dbraw/zinc/19/44/10/1364194410.db2.gz KISADTCKBKTSSK-UHFFFAOYSA-N 0 1 344.503 3.339 20 30 EGEDMN CC(C)C[C@H](C)C(=O)NCC1CC(NCc2ccccc2C#N)C1 ZINC001100796019 1364265474 /nfs/dbraw/zinc/26/54/74/1364265474.db2.gz QGIRIPJUZYWGMX-LYGPFTKASA-N 0 1 327.472 3.225 20 30 EGEDMN C[C@@H](C(=O)NCC1CC(NCc2ccccc2C#N)C1)c1ccccc1 ZINC001100894860 1364317942 /nfs/dbraw/zinc/31/79/42/1364317942.db2.gz QDYNOLLGNUNSRO-ZGGTZUKQSA-N 0 1 347.462 3.346 20 30 EGEDMN CCCCCCCCC(=O)NCC1CC(N[C@H](C)c2nnc(C)[nH]2)C1 ZINC001100906540 1364325000 /nfs/dbraw/zinc/32/50/00/1364325000.db2.gz MQLAMDHHDDPSQF-ODIFPOPNSA-N 0 1 349.523 3.409 20 30 EGEDMN C=CCC1(C(=O)NCC2CC(NCc3cc(C)no3)C2)CCCCC1 ZINC001101016976 1364375288 /nfs/dbraw/zinc/37/52/88/1364375288.db2.gz NUZUEKCNCCQTHR-UHFFFAOYSA-N 0 1 345.487 3.494 20 30 EGEDMN 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/nfs/dbraw/zinc/56/61/50/991566150.db2.gz SUCPFYNGDPLERP-UHFFFAOYSA-N 0 1 343.810 3.287 20 30 EGEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593686318 996121596 /nfs/dbraw/zinc/12/15/96/996121596.db2.gz NSVYCBVAQYIZDQ-FZMZJTMJSA-N 0 1 327.409 3.263 20 30 EGEDMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001593689901 996134604 /nfs/dbraw/zinc/13/46/04/996134604.db2.gz NFSIBNZUOBZBRU-AWEZNQCLSA-N 0 1 339.395 3.123 20 30 EGEDMN C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593698546 996165559 /nfs/dbraw/zinc/16/55/59/996165559.db2.gz LQHIEIHGYHSQKV-DDTOSNHZSA-N 0 1 326.318 3.204 20 30 EGEDMN CCc1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)n[nH]1 ZINC000181734989 529741630 /nfs/dbraw/zinc/74/16/30/529741630.db2.gz CEXBTLVFSWLJBU-UHFFFAOYSA-N 0 1 327.335 3.253 20 30 EGEDMN COc1ccc2nc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[nH]c2c1 ZINC000004273908 210158416 /nfs/dbraw/zinc/15/84/16/210158416.db2.gz OYGUYZVOZLWVNI-GTNSWQLSSA-N 0 1 346.456 3.107 20 30 EGEDMN N#Cc1ccc(NC(=O)CCN2CCO[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000103470051 219304205 /nfs/dbraw/zinc/30/42/05/219304205.db2.gz DEJVDPGSONTXFV-DLBZAZTESA-N 0 1 347.846 3.184 20 30 EGEDMN C=CCOCCCC(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000079860213 217258516 /nfs/dbraw/zinc/25/85/16/217258516.db2.gz MSIMHVUZPHHEGN-UHFFFAOYSA-N 0 1 348.512 3.465 20 30 EGEDMN C[C@@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000011571875 211223737 /nfs/dbraw/zinc/22/37/37/211223737.db2.gz QCPOEGHVIRGVRU-MRVPVSSYSA-N 0 1 347.831 3.326 20 30 EGEDMN C[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000011571875 211223741 /nfs/dbraw/zinc/22/37/41/211223741.db2.gz QCPOEGHVIRGVRU-MRVPVSSYSA-N 0 1 347.831 3.326 20 30 EGEDMN C#CCOc1ccc([C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000268805867 252258257 /nfs/dbraw/zinc/25/82/57/252258257.db2.gz HLQLEDPUTSFOMR-AWEZNQCLSA-N 0 1 340.379 3.466 20 30 EGEDMN Cc1nn(CC(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)c1Cl ZINC000069697928 258063751 /nfs/dbraw/zinc/06/37/51/258063751.db2.gz LICLIMQWHTWQME-NSHDSACASA-N 0 1 328.759 3.171 20 30 EGEDMN C=C(C)CN(CC)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000246673441 533504478 /nfs/dbraw/zinc/50/44/78/533504478.db2.gz GJBSXHFTIJOWAS-IRXDYDNUSA-N 0 1 345.487 3.137 20 30 EGEDMN N#Cc1csc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186591905 144138331 /nfs/dbraw/zinc/13/83/31/144138331.db2.gz MXBCUISKEYEPOV-UHFFFAOYSA-N 0 1 330.428 3.328 20 30 EGEDMN N#Cc1cc(NS(=O)(=O)c2ccc(F)cc2)nc2ccccc12 ZINC000351223919 144260538 /nfs/dbraw/zinc/26/05/38/144260538.db2.gz NUMOCNKBUJNMGJ-UHFFFAOYSA-N 0 1 327.340 3.046 20 30 EGEDMN Cn1cc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)cc1C#N ZINC000191233405 153183264 /nfs/dbraw/zinc/18/32/64/153183264.db2.gz ZWIXSXMYFQSWRO-UHFFFAOYSA-N 0 1 325.412 3.142 20 30 EGEDMN COCCOCCN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000192068659 153241160 /nfs/dbraw/zinc/24/11/60/153241160.db2.gz RECGIENFQGTFGN-UHFFFAOYSA-N 0 1 342.414 3.363 20 30 EGEDMN COCC[N@@H+](C)CC[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000348847948 156260558 /nfs/dbraw/zinc/26/05/58/156260558.db2.gz IPQXQXGOUXYZHR-NRFANRHFSA-N 0 1 337.467 3.357 20 30 EGEDMN COCC[N@@H+](C)CC[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000348848525 156261170 /nfs/dbraw/zinc/26/11/70/156261170.db2.gz MQMQKJYDSHBRGR-OAQYLSRUSA-N 0 1 337.467 3.357 20 30 EGEDMN COCCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CC[C@@H](C)C1 ZINC000362151708 157047379 /nfs/dbraw/zinc/04/73/79/157047379.db2.gz ADAUHRDKWRCFNZ-DOMZBBRYSA-N 0 1 349.500 3.312 20 30 EGEDMN C[C@H](NCC(=O)NCc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000338344364 163217648 /nfs/dbraw/zinc/21/76/48/163217648.db2.gz ACTZIQMBJTWPRB-ZDUSSCGKSA-N 0 1 327.815 3.179 20 30 EGEDMN N#Cc1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccccc2)o1 ZINC000344302968 164150813 /nfs/dbraw/zinc/15/08/13/164150813.db2.gz BRLUVYJXFJVBAM-GFCCVEGCSA-N 0 1 344.314 3.123 20 30 EGEDMN CCN1C[C@@H](C)N(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1C ZINC000345988737 164311449 /nfs/dbraw/zinc/31/14/49/164311449.db2.gz QLZJTFHTEVEYPL-IAGOWNOFSA-N 0 1 343.471 3.048 20 30 EGEDMN COCc1cccc2sc(=NCc3ccc(OC)c(C#N)c3)[nH]c21 ZINC000346124060 164342528 /nfs/dbraw/zinc/34/25/28/164342528.db2.gz VEHTVPMIRRLPCZ-UHFFFAOYSA-N 0 1 339.420 3.357 20 30 EGEDMN COc1cc(C#N)ccc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000352009882 165190190 /nfs/dbraw/zinc/19/01/90/165190190.db2.gz XEBCMXHDIMMETP-LJQANCHMSA-N 0 1 333.435 3.204 20 30 EGEDMN COc1cc(C#N)ccc1CN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000352009882 165190191 /nfs/dbraw/zinc/19/01/91/165190191.db2.gz XEBCMXHDIMMETP-LJQANCHMSA-N 0 1 333.435 3.204 20 30 EGEDMN N#Cc1ccc(NC2CC2)c(NC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000355396865 166184166 /nfs/dbraw/zinc/18/41/66/166184166.db2.gz ZSPPKMONHCZHFN-UHFFFAOYSA-N 0 1 333.351 3.368 20 30 EGEDMN CC[C@H](C(=O)Nc1cc(C#N)ccc1NC)N(C)Cc1ccccc1 ZINC000355651667 166272820 /nfs/dbraw/zinc/27/28/20/166272820.db2.gz KRQQDNYNFOQYKD-LJQANCHMSA-N 0 1 336.439 3.449 20 30 EGEDMN Cc1ccc([C@@H](O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000174710203 265067631 /nfs/dbraw/zinc/06/76/31/265067631.db2.gz IMVCUGGTPCBGLN-QFIPXVFZSA-N 0 1 349.478 3.108 20 30 EGEDMN N#Cc1ccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c(F)c1 ZINC000299340026 270043448 /nfs/dbraw/zinc/04/34/48/270043448.db2.gz NFBYJBPQRTZORL-UHFFFAOYSA-N 0 1 343.446 3.358 20 30 EGEDMN CCc1nc(C)c(CN2CCC(Oc3cccc(C#N)c3)CC2)o1 ZINC000428251806 270049937 /nfs/dbraw/zinc/04/99/37/270049937.db2.gz YQQYTQJDRQCKNI-UHFFFAOYSA-N 0 1 325.412 3.461 20 30 EGEDMN N#Cc1cccc(CCN[C@@H](c2ccc(F)cc2)c2cnccn2)c1 ZINC000467452955 270055177 /nfs/dbraw/zinc/05/51/77/270055177.db2.gz JEOSLRUPJKQMAD-FQEVSTJZSA-N 0 1 332.382 3.409 20 30 EGEDMN N#Cc1ccc(Nc2cccc(C(=O)NCCN3CC=CCC3)c2)cc1 ZINC000477628830 270055542 /nfs/dbraw/zinc/05/55/42/270055542.db2.gz YTJZNRSNHALKKK-UHFFFAOYSA-N 0 1 346.434 3.294 20 30 EGEDMN N#Cc1ccc2c(c1)[C@@H](NCc1nc(-c3ccc(F)cc3)n[nH]1)CC2 ZINC000517442659 270059316 /nfs/dbraw/zinc/05/93/16/270059316.db2.gz ZLXHNXOQOYMRKI-KRWDZBQOSA-N 0 1 333.370 3.260 20 30 EGEDMN COC(=O)c1cccc(CSc2nc(C(C)(C)C)n[nH]2)c1C#N ZINC000534428463 270061280 /nfs/dbraw/zinc/06/12/80/270061280.db2.gz CMTDTCNRNVXMOJ-UHFFFAOYSA-N 0 1 330.413 3.053 20 30 EGEDMN COC(=O)c1cccc(CSc2n[nH]c(C(C)(C)C)n2)c1C#N ZINC000534428463 270061282 /nfs/dbraw/zinc/06/12/82/270061282.db2.gz CMTDTCNRNVXMOJ-UHFFFAOYSA-N 0 1 330.413 3.053 20 30 EGEDMN N#Cc1csc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000179842036 265389718 /nfs/dbraw/zinc/38/97/18/265389718.db2.gz FHNIDNXWIBPZNC-HNNXBMFYSA-N 0 1 325.437 3.470 20 30 EGEDMN CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccsc1 ZINC000190511805 266119471 /nfs/dbraw/zinc/11/94/71/266119471.db2.gz LOROAHVFEJUYJQ-INIZCTEOSA-N 0 1 343.452 3.138 20 30 EGEDMN C[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000302188643 267162878 /nfs/dbraw/zinc/16/28/78/267162878.db2.gz AJJGCSFYNILAKU-GFCCVEGCSA-N 0 1 342.424 3.387 20 30 EGEDMN CCOc1cccc(S(=O)(=O)Nc2cc(C#N)ccc2OCC)c1 ZINC000443415149 267173634 /nfs/dbraw/zinc/17/36/34/267173634.db2.gz QDLLDLUGFPNJOJ-UHFFFAOYSA-N 0 1 346.408 3.156 20 30 EGEDMN C[C@H]1CCCC[C@@H]1N(C)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000271764913 267210936 /nfs/dbraw/zinc/21/09/36/267210936.db2.gz IMARASIBRJJKOH-YJBOKZPZSA-N 0 1 325.456 3.174 20 30 EGEDMN C[C@H]1CN(Cc2ccccc2)CCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000301316618 267234534 /nfs/dbraw/zinc/23/45/34/267234534.db2.gz ADZPYCDIASWHAO-HNNXBMFYSA-N 0 1 336.395 3.177 20 30 EGEDMN C[C@]1(NCc2ccc(Br)cc2C#N)CCO[C@H]1C1CC1 ZINC000287739492 267263062 /nfs/dbraw/zinc/26/30/62/267263062.db2.gz LAKYKHYABVGSHB-HOTGVXAUSA-N 0 1 335.245 3.368 20 30 EGEDMN CN(C)[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)c1ccsc1 ZINC000455762292 267285581 /nfs/dbraw/zinc/28/55/81/267285581.db2.gz ZCOJFWFTVDDKMJ-AWEZNQCLSA-N 0 1 349.847 3.093 20 30 EGEDMN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188384431 267352042 /nfs/dbraw/zinc/35/20/42/267352042.db2.gz UBMUAYFDCVHJEG-UHFFFAOYSA-N 0 1 346.346 3.407 20 30 EGEDMN COC(=O)[C@H]1CN(Cc2cccc(C#N)c2F)C[C@H]1c1ccccc1 ZINC000452004688 267389878 /nfs/dbraw/zinc/38/98/78/267389878.db2.gz KTPNAMQPDPSXDR-ROUUACIJSA-N 0 1 338.382 3.086 20 30 EGEDMN Cc1ccc([C@@H]2CCN(CC(=O)NCc3cccc(C#N)c3)C2)c(C)c1 ZINC000471020705 268043842 /nfs/dbraw/zinc/04/38/42/268043842.db2.gz VKDRUAYLQFNEAW-HXUWFJFHSA-N 0 1 347.462 3.281 20 30 EGEDMN Cc1ccc2nc(CNC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)[nH]c2c1 ZINC000412160651 268047589 /nfs/dbraw/zinc/04/75/89/268047589.db2.gz QQCXOWWMYKDKPQ-JKSUJKDBSA-N 0 1 330.391 3.163 20 30 EGEDMN Cc1nc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000443674756 268076877 /nfs/dbraw/zinc/07/68/77/268076877.db2.gz PAMGNZAKWIDCCQ-UHFFFAOYSA-N 0 1 340.496 3.340 20 30 EGEDMN N#Cc1ccc(CN2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c(Cl)c1 ZINC000439429216 268222867 /nfs/dbraw/zinc/22/28/67/268222867.db2.gz HPDLWUFJLGVWQB-CRAIPNDOSA-N 0 1 343.858 3.187 20 30 EGEDMN N#Cc1ccc(CNCc2ccccc2CN2CCCC2=O)cc1F ZINC000421335075 268233456 /nfs/dbraw/zinc/23/34/56/268233456.db2.gz ROZCXMPTFNHKFZ-UHFFFAOYSA-N 0 1 337.398 3.110 20 30 EGEDMN N#Cc1ccnc(N2CCCN(Cc3ccccc3)CC2)c1Cl ZINC000324298462 268291798 /nfs/dbraw/zinc/29/17/98/268291798.db2.gz PZSOZDOFGGMTLM-UHFFFAOYSA-N 0 1 326.831 3.319 20 30 EGEDMN CC(C)(C)OC(=O)NC[C@H](NCc1cccc(F)c1C#N)C1CC1 ZINC000497108620 269592535 /nfs/dbraw/zinc/59/25/35/269592535.db2.gz RWWRWLKFCZUDCM-INIZCTEOSA-N 0 1 333.407 3.090 20 30 EGEDMN COc1ccc(CN[C@H]2CCN(C(C)=O)c3ccccc32)cc1C#N ZINC000366831693 274111200 /nfs/dbraw/zinc/11/12/00/274111200.db2.gz NJKBUCWPPUECEM-SFHVURJKSA-N 0 1 335.407 3.154 20 30 EGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@H](C)C[C@H](C)C1 ZINC000249330524 308022685 /nfs/dbraw/zinc/02/26/85/308022685.db2.gz PBABRECFTAHLHH-FRRDWIJNSA-N 0 1 331.485 3.413 20 30 EGEDMN CCc1ccc(S(=O)(=O)Nc2cc(C#N)c3ccccc3n2)cc1 ZINC000508113001 312088913 /nfs/dbraw/zinc/08/89/13/312088913.db2.gz PJYGCBSJNIFVSE-UHFFFAOYSA-N 0 1 337.404 3.470 20 30 EGEDMN CN(C)[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)c1cccc(F)c1 ZINC000539749907 314333909 /nfs/dbraw/zinc/33/39/09/314333909.db2.gz HGZWJDMKHWMGLT-QGZVFWFLSA-N 0 1 345.805 3.383 20 30 EGEDMN 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C=C(Cl)CN[C@H](C)CN(C)C(=O)c1cnn(C2CCCC2)c1C ZINC001283704144 1379129579 /nfs/dbraw/zinc/12/95/79/1379129579.db2.gz VPQYBOGLDWHIAF-CYBMUJFWSA-N 0 1 338.883 3.109 20 30 EGEDMN C=CCC1(C(=O)N2CC3(C2)CCN(Cc2oc(C)nc2C)C3)CCC1 ZINC001148250633 1379139275 /nfs/dbraw/zinc/13/92/75/1379139275.db2.gz YRSYXGJIFCNRSJ-UHFFFAOYSA-N 0 1 343.471 3.072 20 30 EGEDMN C=CCC(C)(C)C(=O)N1CC2(C1)CCN(Cc1oc(CC)nc1C)C2 ZINC001148370728 1379158484 /nfs/dbraw/zinc/15/84/84/1379158484.db2.gz COAJXVNHROOJBV-UHFFFAOYSA-N 0 1 345.487 3.182 20 30 EGEDMN O=C(NCCNCC#Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC001148705341 1379247274 /nfs/dbraw/zinc/24/72/74/1379247274.db2.gz MMQQCSQCRDLFES-UHFFFAOYSA-N 0 1 347.245 3.365 20 30 EGEDMN COc1cccc(NC(=O)c2c(O)c(C)nc3ccccc32)c1C#N ZINC001149198181 1379345193 /nfs/dbraw/zinc/34/51/93/1379345193.db2.gz SMRFFVZVDLABQI-UHFFFAOYSA-N 0 1 333.347 3.381 20 30 EGEDMN N#Cc1ccc(CNCCNC(=O)c2ccc(F)cc2Cl)c(F)c1 ZINC001149741059 1379439167 /nfs/dbraw/zinc/43/91/67/1379439167.db2.gz 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ZINC001150284851 1379528193 /nfs/dbraw/zinc/52/81/93/1379528193.db2.gz JDCCPHGVCLGVFW-UHFFFAOYSA-N 0 1 340.854 3.030 20 30 EGEDMN CC#CCN1CCC(CCOC)(NC(=O)[C@H](CC)CCCC)CC1 ZINC001150970667 1379641726 /nfs/dbraw/zinc/64/17/26/1379641726.db2.gz KRZBZBZKRKMOEH-GOSISDBHSA-N 0 1 336.520 3.213 20 30 EGEDMN C=CC(C)(C)CC(=O)NC1(CCOC)CCN(C[C@@H](F)CC)CC1 ZINC001151137937 1379665623 /nfs/dbraw/zinc/66/56/23/1379665623.db2.gz ORPRQPOZBMNKGO-INIZCTEOSA-N 0 1 342.499 3.324 20 30 EGEDMN CC#CCN1CCC(CCOC)(NC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001151210904 1379677101 /nfs/dbraw/zinc/67/71/01/1379677101.db2.gz ZNKRFHMTVUMJPG-RBUKOAKNSA-N 0 1 348.531 3.213 20 30 EGEDMN C=CCCCC(=O)NC1(CCOC)CCN(C/C=C\Cl)CC1 ZINC001151288612 1379694315 /nfs/dbraw/zinc/69/43/15/1379694315.db2.gz ZZHFORDQCFPUBI-WDZFZDKYSA-N 0 1 328.884 3.083 20 30 EGEDMN COc1cccc(NC(=O)c2cc3cc(Cl)c[nH]c-3n2)c1C#N ZINC001151303534 1379696564 /nfs/dbraw/zinc/69/65/64/1379696564.db2.gz WLIAMIBGHWYECD-UHFFFAOYSA-N 0 1 326.743 3.349 20 30 EGEDMN CCN(CC#Cc1ccccc1)[C@H](C)CNC(=O)c1ccccc1F ZINC001151606286 1379746302 /nfs/dbraw/zinc/74/63/02/1379746302.db2.gz YRSIHYFKXPAHAW-QGZVFWFLSA-N 0 1 338.426 3.318 20 30 EGEDMN COc1cccc(-c2cc(C(=O)Nc3cc(F)cc(C#N)c3)[nH]n2)c1 ZINC001151647840 1379755122 /nfs/dbraw/zinc/75/51/22/1379755122.db2.gz CDHUPJOONZROGG-UHFFFAOYSA-N 0 1 336.326 3.348 20 30 EGEDMN CCN(CC#Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CC=CCC1 ZINC001151831001 1379789424 /nfs/dbraw/zinc/78/94/24/1379789424.db2.gz RQRFKMVCVNULEM-IEBWSBKVSA-N 0 1 342.458 3.360 20 30 EGEDMN N#Cc1cc(NC(=O)c2ccn3cncc3c2)ccc1N1CCCCC1 ZINC001151903046 1379813816 /nfs/dbraw/zinc/81/38/16/1379813816.db2.gz ZGYRHYIWKOPPMJ-UHFFFAOYSA-N 0 1 345.406 3.449 20 30 EGEDMN CC(C)(C)CC(C)(C)C(=O)NCCNCc1cc(C#N)ccc1F ZINC001151939117 1379820486 /nfs/dbraw/zinc/82/04/86/1379820486.db2.gz YYMAWHZKENLKHZ-UHFFFAOYSA-N 0 1 333.451 3.366 20 30 EGEDMN C=C[C@@H](CC(=O)NCCNCC#Cc1ccccc1)c1ccccc1 ZINC001151943264 1379821380 /nfs/dbraw/zinc/82/13/80/1379821380.db2.gz UTSXLALWLITQGG-FQEVSTJZSA-N 0 1 332.447 3.104 20 30 EGEDMN N#CCC1(COC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC001327946653 1388630668 /nfs/dbraw/zinc/63/06/68/1388630668.db2.gz WUJPOHKSKMBRCN-INIZCTEOSA-N 0 1 330.403 3.275 20 30 EGEDMN C=C[C@H](C(=O)NCCNCc1oc(CCC)nc1C)c1ccccc1 ZINC001151990647 1379833652 /nfs/dbraw/zinc/83/36/52/1379833652.db2.gz LGLZOPYIFJRDGX-KRWDZBQOSA-N 0 1 341.455 3.111 20 30 EGEDMN CCCCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)CC#Cc1ccccc1 ZINC001152227756 1379891123 /nfs/dbraw/zinc/89/11/23/1379891123.db2.gz IOQRULPHNHPCDC-MOPGFXCFSA-N 0 1 344.499 3.070 20 30 EGEDMN CC1(C)CCC(C(=O)NCCNCc2ccc(C#N)cc2F)CC1 ZINC001152843589 1379986365 /nfs/dbraw/zinc/98/63/65/1379986365.db2.gz RYWVNFOTCFXODT-UHFFFAOYSA-N 0 1 331.435 3.120 20 30 EGEDMN CC1=C(C)C[C@@](C)(C(=O)NCCNCc2cc(C#N)ccc2F)CC1 ZINC001152935327 1379996117 /nfs/dbraw/zinc/99/61/17/1379996117.db2.gz OJILYORJTRAANK-FQEVSTJZSA-N 0 1 343.446 3.430 20 30 EGEDMN N#CCCN(Cc1ccc(Cl)cc1)C(=O)c1n[nH]c2cccnc21 ZINC001153151470 1380027807 /nfs/dbraw/zinc/02/78/07/1380027807.db2.gz NRPODLBUPKHDKD-UHFFFAOYSA-N 0 1 339.786 3.167 20 30 EGEDMN C[C@@H]1CCCC[C@@H]1CC(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001153253114 1380044859 /nfs/dbraw/zinc/04/48/59/1380044859.db2.gz KBWWCMPKTTWQID-SJLPKXTDSA-N 0 1 330.447 3.099 20 30 EGEDMN C=C(C)[C@H](CC(=O)NC[C@@H](C)N(CC)CCC(F)(F)F)OCC ZINC001153654434 1380110763 /nfs/dbraw/zinc/11/07/63/1380110763.db2.gz WWBOATNXGOAXSB-KGLIPLIRSA-N 0 1 338.414 3.137 20 30 EGEDMN Cc1cc(Br)cc2cc(C(=O)Nc3nc[nH]c3C#N)[nH]c21 ZINC001153963038 1380163198 /nfs/dbraw/zinc/16/31/98/1380163198.db2.gz OMSPDYZVUDQIAU-UHFFFAOYSA-N 0 1 344.172 3.086 20 30 EGEDMN Cc1ccc(/C=C/CC(=O)NCCNCc2ccccc2C#N)cc1 ZINC001153980268 1380168335 /nfs/dbraw/zinc/16/83/35/1380168335.db2.gz JXLTZBXFCUBSHW-SNAWJCMRSA-N 0 1 333.435 3.176 20 30 EGEDMN Cc1cc2ccc(NC(=O)c3cc(=O)c4cc(C#N)ccc4[nH]3)cc2[nH]1 ZINC001154558134 1380305543 /nfs/dbraw/zinc/30/55/43/1380305543.db2.gz ZBFXUIMBAYREAW-UHFFFAOYSA-N 0 1 342.358 3.442 20 30 EGEDMN C=CCN(C(=O)c1[nH]nc2cccc(C(=O)OC)c21)C1CCCCC1 ZINC001154607747 1380315782 /nfs/dbraw/zinc/31/57/82/1380315782.db2.gz VBLOYUHIDXXBLD-UHFFFAOYSA-N 0 1 341.411 3.310 20 30 EGEDMN C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N(CC)CC#Cc1ccccc1 ZINC001154743210 1380344027 /nfs/dbraw/zinc/34/40/27/1380344027.db2.gz WMJMWGGCSMWPGD-RBUKOAKNSA-N 0 1 326.484 3.467 20 30 EGEDMN CCN(CC#Cc1cccc(Cl)c1)[C@H](C)CNC(=O)[C@@H]1CC12CC2 ZINC001155477831 1380458183 /nfs/dbraw/zinc/45/81/83/1380458183.db2.gz NWJWCCAGJPLPFI-QAPCUYQASA-N 0 1 344.886 3.318 20 30 EGEDMN C=CCCC(=O)NCCCNCc1coc(-c2ccc(F)c(F)c2)n1 ZINC001155593530 1380471322 /nfs/dbraw/zinc/47/13/22/1380471322.db2.gz KPJVAFPGPZXPRM-UHFFFAOYSA-N 0 1 349.381 3.182 20 30 EGEDMN N=C(Nc1nnc(Cl)c2nc[nH]c21)c1ccc(C(F)(F)F)cc1 ZINC001155851109 1380498670 /nfs/dbraw/zinc/49/86/70/1380498670.db2.gz CLCFAOSBSBJMMJ-UHFFFAOYSA-N 0 1 340.696 3.062 20 30 EGEDMN CCN(CC#Cc1ccccc1)[C@H](C)CNC(=O)[C@H]1CC12CCCC2 ZINC001156200849 1380541374 /nfs/dbraw/zinc/54/13/74/1380541374.db2.gz RIGNBGITHRVARG-UYAOXDASSA-N 0 1 338.495 3.445 20 30 EGEDMN CCOC(=O)c1cc2ccc(NCCc3ccc(C#N)cc3)nc2[nH]1 ZINC001156837726 1380682960 /nfs/dbraw/zinc/68/29/60/1380682960.db2.gz NJLXHKGYOLXXGN-UHFFFAOYSA-N 0 1 334.379 3.266 20 30 EGEDMN C=CCC1(C(=O)NC[C@@H](C)N(CC)Cc2cn(C)nc2C)CCCC1 ZINC001157364066 1380854555 /nfs/dbraw/zinc/85/45/55/1380854555.db2.gz DGIUEWDMINPZCX-MRXNPFEDSA-N 0 1 346.519 3.192 20 30 EGEDMN CN(CC#Cc1ccccc1)C[C@H]1CCCCN1C(=O)c1ccn(C)c1 ZINC001157802571 1381037035 /nfs/dbraw/zinc/03/70/35/1381037035.db2.gz LKBWDWBZJSZWCF-OAQYLSRUSA-N 0 1 349.478 3.003 20 30 EGEDMN C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001157836061 1381047953 /nfs/dbraw/zinc/04/79/53/1381047953.db2.gz PXDRDKUAHLSUAO-HZPDHXFCSA-N 0 1 331.460 3.068 20 30 EGEDMN C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001157836061 1381047960 /nfs/dbraw/zinc/04/79/60/1381047960.db2.gz PXDRDKUAHLSUAO-HZPDHXFCSA-N 0 1 331.460 3.068 20 30 EGEDMN Cc1ncccc1CN(C)C[C@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001157964492 1381084256 /nfs/dbraw/zinc/08/42/56/1381084256.db2.gz DYFBYQLGDVQUHV-LJQANCHMSA-N 0 1 341.499 3.252 20 30 EGEDMN C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(F)c(C(F)F)c1 ZINC001157967412 1381085864 /nfs/dbraw/zinc/08/58/64/1381085864.db2.gz LSFIHEOHGSGETE-CQSZACIVSA-N 0 1 338.373 3.323 20 30 EGEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(F)c(C(F)F)c1 ZINC001157967412 1381085871 /nfs/dbraw/zinc/08/58/71/1381085871.db2.gz LSFIHEOHGSGETE-CQSZACIVSA-N 0 1 338.373 3.323 20 30 EGEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)Cc1cccc2cnccc21 ZINC001158135642 1381138447 /nfs/dbraw/zinc/13/84/47/1381138447.db2.gz HNYAVHVYGLQOEU-HXUWFJFHSA-N 0 1 349.478 3.114 20 30 EGEDMN C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc2ccccc2s1 ZINC001158199576 1381156499 /nfs/dbraw/zinc/15/64/99/1381156499.db2.gz DDKZFNWJKBDPCH-MRXNPFEDSA-N 0 1 326.465 3.461 20 30 EGEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)c1cc2ccccc2s1 ZINC001158199576 1381156505 /nfs/dbraw/zinc/15/65/05/1381156505.db2.gz DDKZFNWJKBDPCH-MRXNPFEDSA-N 0 1 326.465 3.461 20 30 EGEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)Cc1cccc2cccnc21 ZINC001158296963 1381190090 /nfs/dbraw/zinc/19/00/90/1381190090.db2.gz YUIMCMNKADDUKJ-HXUWFJFHSA-N 0 1 349.478 3.114 20 30 EGEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)Cc1c(C)cc(C)cc1C ZINC001158434944 1381245734 /nfs/dbraw/zinc/24/57/34/1381245734.db2.gz QCKHERXYKXVGNV-LJQANCHMSA-N 0 1 326.484 3.100 20 30 EGEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)c1cc2occc2s1 ZINC001158468082 1381254634 /nfs/dbraw/zinc/25/46/34/1381254634.db2.gz MWXFPKNXJVWFBM-CQSZACIVSA-N 0 1 330.453 3.444 20 30 EGEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](CC)Cc1ccccc1 ZINC001158539697 1381287668 /nfs/dbraw/zinc/28/76/68/1381287668.db2.gz AGENDYKXBLOHDY-VQTJNVASSA-N 0 1 326.484 3.201 20 30 EGEDMN COCC#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC(C)(C)C ZINC001158559652 1381299344 /nfs/dbraw/zinc/29/93/44/1381299344.db2.gz JSSVSNADSNVMTK-ZWKOTPCHSA-N 0 1 336.520 3.021 20 30 EGEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001158578387 1381308015 /nfs/dbraw/zinc/30/80/15/1381308015.db2.gz 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/nfs/dbraw/zinc/46/22/20/1381462220.db2.gz YCHRIICUYYRPCV-VQTJNVASSA-N 0 1 338.495 3.443 20 30 EGEDMN CC(C)(C)Oc1ccc(NC(=O)c2cnc3nc[nH]c3c2)cc1C#N ZINC001158951209 1381483197 /nfs/dbraw/zinc/48/31/97/1381483197.db2.gz SFCGPBVDQVYXDH-UHFFFAOYSA-N 0 1 335.367 3.259 20 30 EGEDMN C=C(C)CCC(=O)NCCCNCc1ncc(-c2ccc(F)cc2)o1 ZINC001159039982 1381532703 /nfs/dbraw/zinc/53/27/03/1381532703.db2.gz BIEVNXKUNSSXTH-UHFFFAOYSA-N 0 1 345.418 3.433 20 30 EGEDMN C=C(C)CCC(=O)NCCCN[C@@H](C)c1nc(-c2cccs2)no1 ZINC001159040265 1381532717 /nfs/dbraw/zinc/53/27/17/1381532717.db2.gz JWKTYSPYZGRMDF-ZDUSSCGKSA-N 0 1 348.472 3.311 20 30 EGEDMN C=C(Cl)CNC[C@@H](NC(=O)c1ncoc1C1CC1)C(C)(C)C ZINC001755836175 1440930417 /nfs/dbraw/zinc/93/04/17/1440930417.db2.gz OPOBTRJLBPZNMX-GFCCVEGCSA-N 0 1 325.840 3.039 20 30 EGEDMN Cc1cccc(Cl)c1CN1CC=C(CCNC(=O)[C@H](C)C#N)CC1 ZINC001159587738 1381837249 /nfs/dbraw/zinc/83/72/49/1381837249.db2.gz YCSSWCCZAAIVPD-OAHLLOKOSA-N 0 1 345.874 3.447 20 30 EGEDMN 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334.410 3.460 20 30 EGEDMN C#CCN(C(=O)c1ccco1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC001754633520 1440648305 /nfs/dbraw/zinc/64/83/05/1440648305.db2.gz DFZGYLAVCSLJBM-UHFFFAOYSA-N 0 1 340.398 3.159 20 30 EGEDMN C#CCN(C(=O)c1sccc1C)C1CCN(C/C=C/Cl)CC1 ZINC001754634654 1440648341 /nfs/dbraw/zinc/64/83/41/1440648341.db2.gz ZDWPLTWHLAYTEA-XBXARRHUSA-N 0 1 336.888 3.349 20 30 EGEDMN C=C(Cl)CNC[C@@H](NC(=O)c1cc(C2CC2)no1)C1CCCC1 ZINC001754656184 1440653508 /nfs/dbraw/zinc/65/35/08/1440653508.db2.gz WQFUKKQCEXKHII-OAHLLOKOSA-N 0 1 337.851 3.183 20 30 EGEDMN C=CCOCC(=O)N[C@]1(C)CCN([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001754669021 1440657437 /nfs/dbraw/zinc/65/74/37/1440657437.db2.gz WDENZTXTJXKMRO-IEBWSBKVSA-N 0 1 348.874 3.111 20 30 EGEDMN C#CCCCCC(=O)N1CC[C@](C)(CNCc2ncc(C(C)C)o2)C1 ZINC001754693106 1440666518 /nfs/dbraw/zinc/66/65/18/1440666518.db2.gz QGFPQGKGCHHTJB-HXUWFJFHSA-N 0 1 345.487 3.320 20 30 EGEDMN C=C1CC(C)(C(=O)N2CC[C@](C)(CNCc3csc(C)n3)C2)C1 ZINC001754704706 1440668681 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/nfs/dbraw/zinc/81/54/88/1379815488.db2.gz CBHVRLHVZUVKPJ-OAHLLOKOSA-N 0 1 331.460 3.084 20 30 EGEDMN C=CC[C@H](Cc1ccccc1)C(=O)NCCNCc1ccccc1C#N ZINC001151923151 1379816012 /nfs/dbraw/zinc/81/60/12/1379816012.db2.gz PZWZXQYLKYONJU-LJQANCHMSA-N 0 1 347.462 3.199 20 30 EGEDMN C=CC[C@H](Cc1ccccc1)C(=O)NCCNCc1ncccc1C ZINC001151923431 1379816072 /nfs/dbraw/zinc/81/60/72/1379816072.db2.gz ZGKZYCWBZLOPDA-LJQANCHMSA-N 0 1 337.467 3.031 20 30 EGEDMN C=C[C@H](C(=O)NCCNCc1cc(O)ccc1Cl)c1ccccc1 ZINC001151998237 1379835526 /nfs/dbraw/zinc/83/55/26/1379835526.db2.gz RWXCAWYNCILHHR-KRWDZBQOSA-N 0 1 344.842 3.221 20 30 EGEDMN C=CCC1(C(=O)NCCNCc2c(C)onc2CC)CCCCC1 ZINC001152010430 1379837527 /nfs/dbraw/zinc/83/75/27/1379837527.db2.gz IDDUDFRTLJMMNK-UHFFFAOYSA-N 0 1 333.476 3.278 20 30 EGEDMN CCCSCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)s1 ZINC001152119219 1379865962 /nfs/dbraw/zinc/86/59/62/1379865962.db2.gz HZWJGZVJMHEFDO-CYBMUJFWSA-N 0 1 339.530 3.090 20 30 EGEDMN C=CCOCC(=O)NC[C@@H](C)N(CC)Cc1c(C)cccc1Cl ZINC001152370498 1379921310 /nfs/dbraw/zinc/92/13/10/1379921310.db2.gz IUJCWKORPNKIBF-OAHLLOKOSA-N 0 1 338.879 3.178 20 30 EGEDMN C=CCCC(=O)NC[C@@H](C)N(CC)Cc1cnn(-c2ccccc2)c1 ZINC001152399777 1379927438 /nfs/dbraw/zinc/92/74/38/1379927438.db2.gz YUIZKNHNUANTHP-QGZVFWFLSA-N 0 1 340.471 3.165 20 30 EGEDMN CCCC[C@H](C(=O)NCCNCc1cc(C#N)ccc1F)C(C)C ZINC001152645865 1379962116 /nfs/dbraw/zinc/96/21/16/1379962116.db2.gz JQTQNGXNOCPKIO-KRWDZBQOSA-N 0 1 333.451 3.366 20 30 EGEDMN CC(C)c1ccc(C(=O)NCCNCc2ccc(C#N)cc2F)s1 ZINC001152777225 1379980606 /nfs/dbraw/zinc/98/06/06/1379980606.db2.gz HXMLWCNIKVJORX-UHFFFAOYSA-N 0 1 345.443 3.402 20 30 EGEDMN C#CCCCCC(=O)NC[C@@H](C)N(CC)Cc1sc(C)nc1C ZINC001152867213 1379988142 /nfs/dbraw/zinc/98/81/42/1379988142.db2.gz KLUPXQJYMNQDCT-CQSZACIVSA-N 0 1 335.517 3.280 20 30 EGEDMN C#CCCCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(Cl)nc1 ZINC001152867507 1379988155 /nfs/dbraw/zinc/98/81/55/1379988155.db2.gz ZMPJIZUBPWCYFU-OAHLLOKOSA-N 0 1 335.879 3.255 20 30 EGEDMN CC1=C(C)C[C@](C)(C(=O)NCCNCc2cc(C#N)ccc2F)CC1 ZINC001152935329 1379995995 /nfs/dbraw/zinc/99/59/95/1379995995.db2.gz OJILYORJTRAANK-HXUWFJFHSA-N 0 1 343.446 3.430 20 30 EGEDMN CCN(Cc1cn(C(C)C)nc1C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153266286 1380046617 /nfs/dbraw/zinc/04/66/17/1380046617.db2.gz OTLZBDVXDNBTFM-MRXNPFEDSA-N 0 1 346.519 3.149 20 30 EGEDMN CCN(Cc1oc(C(C)C)nc1C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281524 1380048025 /nfs/dbraw/zinc/04/80/25/1380048025.db2.gz RLVANKBERWYROV-OAHLLOKOSA-N 0 1 347.503 3.483 20 30 EGEDMN C=C(C)CCC(=O)NC[C@@H](C)N(CC)Cc1cccc2c1OCCO2 ZINC001153625807 1380106599 /nfs/dbraw/zinc/10/65/99/1380106599.db2.gz JPPMRGUKZLTRKP-MRXNPFEDSA-N 0 1 346.471 3.141 20 30 EGEDMN C=CCn1cccc1C(=O)NC[C@@H](C)N(CC)Cc1ncccc1C ZINC001153830990 1380139952 /nfs/dbraw/zinc/13/99/52/1380139952.db2.gz PEGSZPMWEFMQDD-QGZVFWFLSA-N 0 1 340.471 3.018 20 30 EGEDMN C=C(C)CN(CC)C(=O)c1c[nH]c2cc(Br)ccc2c1=O ZINC001153876946 1380148182 /nfs/dbraw/zinc/14/81/82/1380148182.db2.gz RBSYBIWCXDZDBP-UHFFFAOYSA-N 0 1 349.228 3.329 20 30 EGEDMN Cc1ccc(CCCC(=O)NCCNCc2ccccc2C#N)s1 ZINC001153883042 1380149172 /nfs/dbraw/zinc/14/91/72/1380149172.db2.gz UPHJMOPNTJOISV-UHFFFAOYSA-N 0 1 341.480 3.157 20 30 EGEDMN Cc1oc2ccccc2c1CC(=O)NCCNCc1ccccc1C#N ZINC001153897501 1380151811 /nfs/dbraw/zinc/15/18/11/1380151811.db2.gz GUMVGYMXRBBUBG-UHFFFAOYSA-N 0 1 347.418 3.061 20 30 EGEDMN CCN(Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@@H](C)C1CCC1 ZINC001153975735 1380166580 /nfs/dbraw/zinc/16/65/80/1380166580.db2.gz XFVDSXKTXYGAHJ-KGLIPLIRSA-N 0 1 333.501 3.383 20 30 EGEDMN CCN(Cc1ccc(C#N)s1)[C@H](C)CNC(=O)[C@H](C)CC(F)F ZINC001154359742 1380263525 /nfs/dbraw/zinc/26/35/25/1380263525.db2.gz HXXFTSPRUWYEOH-VXGBXAGGSA-N 0 1 343.443 3.238 20 30 EGEDMN N#CC1(NC(=O)c2cccc3nc(-c4ccccc4)[nH]c32)CCOCC1 ZINC001154492082 1380288508 /nfs/dbraw/zinc/28/85/08/1380288508.db2.gz WLPBHVMYQHMEOX-UHFFFAOYSA-N 0 1 346.390 3.032 20 30 EGEDMN C#Cc1ccc(C(=O)NC[C@@H](C)N(CC)Cc2cnccc2C)cc1 ZINC001154561651 1380306442 /nfs/dbraw/zinc/30/64/42/1380306442.db2.gz JTWYNYBSKZHVJI-QGZVFWFLSA-N 0 1 335.451 3.012 20 30 EGEDMN C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(OC)nc1 ZINC001154742702 1380343970 /nfs/dbraw/zinc/34/39/70/1380343970.db2.gz LKGZBQDHGCEHDN-HZPDHXFCSA-N 0 1 333.476 3.019 20 30 EGEDMN C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(CC)Cc1oc(CC)nc1C ZINC001154751073 1380345744 /nfs/dbraw/zinc/34/57/44/1380345744.db2.gz LTEZTVJKSKTJPA-ZBFHGGJFSA-N 0 1 335.492 3.474 20 30 EGEDMN C=CCCCC(=O)NC[C@@H](C)N(CC)Cc1cn(C)nc1C(F)F ZINC001154957683 1380381300 /nfs/dbraw/zinc/38/13/00/1380381300.db2.gz MQODXKSZTVJUFZ-CYBMUJFWSA-N 0 1 342.434 3.041 20 30 EGEDMN C=CCCC1(C(=O)NC[C@@H](C)N(CC)Cc2ccc(F)cn2)CC1 ZINC001155037123 1380396077 /nfs/dbraw/zinc/39/60/77/1380396077.db2.gz OPDYBZPOKVMFHL-OAHLLOKOSA-N 0 1 333.451 3.294 20 30 EGEDMN C=CCCC1(C(=O)NC[C@@H](C)N(CC)Cc2cncc(F)c2)CC1 ZINC001155036950 1380396091 /nfs/dbraw/zinc/39/60/91/1380396091.db2.gz LFRKIIZOUYSAEE-OAHLLOKOSA-N 0 1 333.451 3.294 20 30 EGEDMN C=CCC(C)(C)C(=O)NC[C@@H](C)N(CC)Cc1cccc(OC)n1 ZINC001155489526 1380459515 /nfs/dbraw/zinc/45/95/15/1380459515.db2.gz DMZLZXLYSLAWTR-OAHLLOKOSA-N 0 1 333.476 3.019 20 30 EGEDMN N#Cc1ccc(C(F)(F)N[C@H]2CNCc3ccsc32)nc1Cl ZINC001155558546 1380467799 /nfs/dbraw/zinc/46/77/99/1380467799.db2.gz DJGJALREFOEMRO-JTQLQIEISA-N 0 1 340.786 3.152 20 30 EGEDMN N#CCc1cnc(NCC2CN(Cc3ccccc3)C2)c(Cl)c1 ZINC001156403164 1380572034 /nfs/dbraw/zinc/57/20/34/1380572034.db2.gz NBFSDENGEWLODK-UHFFFAOYSA-N 0 1 326.831 3.345 20 30 EGEDMN CC(C(=O)NCCCNCc1cc(F)ccc1C#N)=C1CCCC1 ZINC001156429541 1380575051 /nfs/dbraw/zinc/57/50/51/1380575051.db2.gz CDJQPGVYMCIECG-UHFFFAOYSA-N 0 1 329.419 3.184 20 30 EGEDMN CCCCC(=O)N[C@@H]1CCN(Cc2cc(C#N)ccc2OC)[C@@H](C)C1 ZINC001328223997 1388692156 /nfs/dbraw/zinc/69/21/56/1388692156.db2.gz OMKOOEPGDYZJLI-MAUKXSAKSA-N 0 1 343.471 3.226 20 30 EGEDMN CC(C)(C)C#CC(=O)NCCCNCc1ncc(-c2cccs2)o1 ZINC001157727263 1381016596 /nfs/dbraw/zinc/01/65/96/1381016596.db2.gz JXSRWQMWJHRILY-UHFFFAOYSA-N 0 1 345.468 3.049 20 30 EGEDMN C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001157836063 1381048226 /nfs/dbraw/zinc/04/82/26/1381048226.db2.gz PXDRDKUAHLSUAO-JKSUJKDBSA-N 0 1 331.460 3.068 20 30 EGEDMN C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001157836063 1381048228 /nfs/dbraw/zinc/04/82/28/1381048228.db2.gz PXDRDKUAHLSUAO-JKSUJKDBSA-N 0 1 331.460 3.068 20 30 EGEDMN C#CCCCCC(=O)N1CCCC[C@@H]1CN(C)Cc1ncccc1C ZINC001157849878 1381051001 /nfs/dbraw/zinc/05/10/01/1381051001.db2.gz JYYGPVCFVRNGJZ-LJQANCHMSA-N 0 1 341.499 3.397 20 30 EGEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C)Cc1cccc(F)c1 ZINC001157965095 1381083599 /nfs/dbraw/zinc/08/35/99/1381083599.db2.gz NKKUHNVDHOMSIY-YLJYHZDGSA-N 0 1 344.474 3.341 20 30 EGEDMN C=CCCOc1ccc(C(=O)N2CCNC[C@@H]2c2ccccc2)cc1 ZINC001157970441 1381087252 /nfs/dbraw/zinc/08/72/52/1381087252.db2.gz RUFYJADCSSYCJY-HXUWFJFHSA-N 0 1 336.435 3.428 20 30 EGEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)c1ccc2nccc(C)c2c1 ZINC001158011871 1381102011 /nfs/dbraw/zinc/10/20/11/1381102011.db2.gz SLDHBDWQECHNMW-GOSISDBHSA-N 0 1 335.451 3.103 20 30 EGEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001158124849 1381134734 /nfs/dbraw/zinc/13/47/34/1381134734.db2.gz UYHCBYFXAADXQX-QGZVFWFLSA-N 0 1 339.483 3.329 20 30 EGEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)Cc1cc(F)c(C)cc1F ZINC001158277076 1381182281 /nfs/dbraw/zinc/18/22/81/1381182281.db2.gz MSXWVSQYVZMEHN-QGZVFWFLSA-N 0 1 348.437 3.152 20 30 EGEDMN C=CCCCC(=O)N1CCCC[C@@H]1CN(C)Cc1ccc(OC)nc1 ZINC001158419732 1381240063 /nfs/dbraw/zinc/24/00/63/1381240063.db2.gz YVAINQQAGVEUGE-GOSISDBHSA-N 0 1 345.487 3.259 20 30 EGEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001158480233 1381260574 /nfs/dbraw/zinc/26/05/74/1381260574.db2.gz JPYGTTNPVWMYSX-BZUAXINKSA-N 0 1 346.421 3.014 20 30 EGEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C)c1ccccc1C ZINC001158549467 1381293570 /nfs/dbraw/zinc/29/35/70/1381293570.db2.gz FEXYSYRBBPXWBH-RTBURBONSA-N 0 1 326.484 3.435 20 30 EGEDMN CCN1CCN(C(F)(F)c2cnc(Cl)cc2C#N)C(C)(C)C1 ZINC001158561641 1381300455 /nfs/dbraw/zinc/30/04/55/1381300455.db2.gz JIEUEDMEDZHKLC-UHFFFAOYSA-N 0 1 328.794 3.072 20 30 EGEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001158578378 1381307697 /nfs/dbraw/zinc/30/76/97/1381307697.db2.gz SCYRTLMDPKUKLU-CEXWTWQISA-N 0 1 344.886 3.390 20 30 EGEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)COc1c(C)cccc1C ZINC001158830064 1381422781 /nfs/dbraw/zinc/42/27/81/1381422781.db2.gz QAYRWGAGMJIMPN-LJQANCHMSA-N 0 1 342.483 3.018 20 30 EGEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)CCc1ccc(Cl)s1 ZINC001158872170 1381444721 /nfs/dbraw/zinc/44/47/21/1381444721.db2.gz FPJCGHDZQHVLIV-CQSZACIVSA-N 0 1 338.904 3.280 20 30 EGEDMN C=CC(C)(C)CC(=O)NCCCNCc1csc([C@@H](C)OC)n1 ZINC001158895057 1381453580 /nfs/dbraw/zinc/45/35/80/1381453580.db2.gz XTGDWCVOAIMZLQ-CYBMUJFWSA-N 0 1 339.505 3.049 20 30 EGEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001158928081 1381469111 /nfs/dbraw/zinc/46/91/11/1381469111.db2.gz MLLWOJXPXIJNSA-UYAOXDASSA-N 0 1 326.484 3.120 20 30 EGEDMN CCOC(=O)c1cc2cccnc2[nH]c1=NC1=CC(=O)CC(C)(C)C1 ZINC001158953461 1381483091 /nfs/dbraw/zinc/48/30/91/1381483091.db2.gz DTLSFSTVJLCGCW-UHFFFAOYSA-N 0 1 339.395 3.491 20 30 EGEDMN C=C(C)CCC(=O)NCCCNCc1csc([C@@H](C)OCC)n1 ZINC001159032755 1381524099 /nfs/dbraw/zinc/52/40/99/1381524099.db2.gz SKFTXKSUFPEFKZ-CQSZACIVSA-N 0 1 339.505 3.193 20 30 EGEDMN C=C(C)CCC(=O)NCCCNCc1csc(-c2ccoc2)n1 ZINC001159032591 1381525980 /nfs/dbraw/zinc/52/59/80/1381525980.db2.gz MMBSHSBNLVGNQX-UHFFFAOYSA-N 0 1 333.457 3.355 20 30 EGEDMN CCOC(=O)c1cnc2cc(NCc3ccc(C#N)c(F)c3)[nH]cc1-2 ZINC001159087260 1381572171 /nfs/dbraw/zinc/57/21/71/1381572171.db2.gz ZNDNQXGYHIDXID-UHFFFAOYSA-N 0 1 338.342 3.362 20 30 EGEDMN C[C@H](c1ccc(F)c(F)c1)N1CC=C(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001159594428 1381840647 /nfs/dbraw/zinc/84/06/47/1381840647.db2.gz RABQMKOQUGLUHU-UONOGXRCSA-N 0 1 347.409 3.324 20 30 EGEDMN 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C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(Cc2ncccc2C)[C@H]1C ZINC001755716379 1440905290 /nfs/dbraw/zinc/90/52/90/1440905290.db2.gz MCNWIYOWHUYUAC-DLBZAZTESA-N 0 1 329.488 3.461 20 30 EGEDMN C#CCCCCC(=O)N[C@@H]1CCCN(Cc2ncccc2C)[C@@H]1C ZINC001755732743 1440910376 /nfs/dbraw/zinc/91/03/76/1440910376.db2.gz WUTROBNEZWEZJF-QZTJIDSGSA-N 0 1 327.472 3.053 20 30 EGEDMN C=C(C)CCC(=O)N1C[C@@H](NCc2ccncc2Cl)C(C)(C)C1 ZINC001755756794 1440914139 /nfs/dbraw/zinc/91/41/39/1440914139.db2.gz GKCWPVSGWIOLMN-MRXNPFEDSA-N 0 1 335.879 3.418 20 30 EGEDMN C=CCCCC(=O)N1C[C@@H](NCc2cc(C#N)ccc2F)C(C)(C)C1 ZINC001755776049 1440917200 /nfs/dbraw/zinc/91/72/00/1440917200.db2.gz WQNZZFJGPIPVPI-GOSISDBHSA-N 0 1 343.446 3.380 20 30 EGEDMN CC#CCN(C)CCN(C(=O)[C@H](C)c1ccc(F)cc1F)C(C)C ZINC001755815128 1440923058 /nfs/dbraw/zinc/92/30/58/1440923058.db2.gz BOPIWFIFELKKPY-OAHLLOKOSA-N 0 1 336.426 3.260 20 30 EGEDMN C=C[C@@H](CC)CC(=O)N[C@@H](C)C1CCN(Cc2cc(C)no2)CC1 ZINC001755847488 1440933826 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CCOC(=O)c1cc(C=NNc2ccc(C(F)(F)F)cn2)[nH]c1C ZINC000799467674 1310556592 /nfs/dbraw/zinc/55/65/92/1310556592.db2.gz TULCSFXPJJCNIJ-UHFFFAOYSA-N 0 1 340.305 3.360 20 30 EGEDMN Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1C#N ZINC000799529203 1310567631 /nfs/dbraw/zinc/56/76/31/1310567631.db2.gz QQAJNDNYGQZZSH-SFHVURJKSA-N 0 1 325.387 3.039 20 30 EGEDMN N#Cc1ccc(O)c(NC(=O)c2cn3cc(Cl)cc(Cl)c3n2)c1 ZINC000799713068 1310603793 /nfs/dbraw/zinc/60/37/93/1310603793.db2.gz OMUHAPFJYXNEPN-UHFFFAOYSA-N 0 1 347.161 3.471 20 30 EGEDMN CCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000800386532 1310747576 /nfs/dbraw/zinc/74/75/76/1310747576.db2.gz LLTYACOYQUDLIF-BBRMVZONSA-N 0 1 344.411 3.337 20 30 EGEDMN COCCOc1cccc(CN=Nc2cccc(F)c2C(=O)OC)c1 ZINC000800818110 1310812173 /nfs/dbraw/zinc/81/21/73/1310812173.db2.gz IFCNQLXJOQGKMT-UHFFFAOYSA-N 0 1 346.358 3.084 20 30 EGEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000857862244 1328608242 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C=CC(C)(C)C(=O)N1CC[C@H](NCc2nsc3ccccc23)C1 ZINC001019237211 1317117300 /nfs/dbraw/zinc/11/73/00/1317117300.db2.gz VGODHLZUGMUNBW-ZDUSSCGKSA-N 0 1 329.469 3.199 20 30 EGEDMN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001019331625 1317171543 /nfs/dbraw/zinc/17/15/43/1317171543.db2.gz ADJYQIVQIZYZNK-FXAWDEMLSA-N 0 1 329.488 3.498 20 30 EGEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000900339976 1317277237 /nfs/dbraw/zinc/27/72/37/1317277237.db2.gz MNZWZPNZYVCUIE-WFASDCNBSA-N 0 1 338.411 3.373 20 30 EGEDMN C#CCN(Cc1ccccc1)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000804832477 1317290719 /nfs/dbraw/zinc/29/07/19/1317290719.db2.gz NHLZUZAGRPUXOK-UHFFFAOYSA-N 0 1 345.402 3.361 20 30 EGEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC000957337948 1317293983 /nfs/dbraw/zinc/29/39/83/1317293983.db2.gz DVDAACXJDBQXRM-GOSISDBHSA-N 0 1 332.875 3.479 20 30 EGEDMN C=CCCCCCCNC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000805218058 1317328214 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/nfs/dbraw/zinc/41/34/30/1318413430.db2.gz XITRCMNUCGPZGG-LEWJYISDSA-N 0 1 349.478 3.481 20 30 EGEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2ccc(C)cc2[nH]1 ZINC000960292957 1318448233 /nfs/dbraw/zinc/44/82/33/1318448233.db2.gz MHYOSZJABSYPLG-TZIWHRDSSA-N 0 1 343.430 3.095 20 30 EGEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000960321215 1318459925 /nfs/dbraw/zinc/45/99/25/1318459925.db2.gz QDHFUWWUOCHBIF-DEPWHIHDSA-N 0 1 338.495 3.454 20 30 EGEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cccc(F)c2o1 ZINC000960328667 1318463733 /nfs/dbraw/zinc/46/37/33/1318463733.db2.gz DEAPNGHIHQKIKT-IEBWSBKVSA-N 0 1 348.377 3.191 20 30 EGEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1oc2ccccc2c1C ZINC000960328551 1318463905 /nfs/dbraw/zinc/46/39/05/1318463905.db2.gz AAZGXELKCFEPED-UYAOXDASSA-N 0 1 344.414 3.360 20 30 EGEDMN C=CCOc1ccc(C(=O)N2CCC[C@H]3CN(CCF)CC[C@H]32)cc1 ZINC001021616726 1318464449 /nfs/dbraw/zinc/46/44/49/1318464449.db2.gz OJPVLOZKEGRTHJ-PKOBYXMFSA-N 0 1 346.446 3.147 20 30 EGEDMN CC[C@H](C)C(=O)N1CCC[C@H]1CN(C)Cc1ccc(C#N)c(F)c1 ZINC000960452512 1318574544 /nfs/dbraw/zinc/57/45/44/1318574544.db2.gz UFTBAWBPLLXSKG-YOEHRIQHSA-N 0 1 331.435 3.166 20 30 EGEDMN O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1F ZINC000814190109 1318694394 /nfs/dbraw/zinc/69/43/94/1318694394.db2.gz BZSKIQXSNRHPPD-BHQIHCQQSA-N 0 1 332.243 3.244 20 30 EGEDMN C[C@@H](c1ccccc1F)N(C)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960621743 1318747626 /nfs/dbraw/zinc/74/76/26/1318747626.db2.gz DNBYMDIPXJOAMP-DOTOQJQBSA-N 0 1 328.431 3.223 20 30 EGEDMN CC(C)(C)c1ncc(C=NN=c2[nH]c3cc(F)c(F)cc3[nH]2)cn1 ZINC000814795590 1318819171 /nfs/dbraw/zinc/81/91/71/1318819171.db2.gz ZONNNXQPZISEAY-UHFFFAOYSA-N 0 1 330.342 3.375 20 30 EGEDMN C[C@@H]1C(N=Nc2ccc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000814806133 1318821702 /nfs/dbraw/zinc/82/17/02/1318821702.db2.gz QBZFZVUHISJFBE-CQSZACIVSA-N 0 1 339.399 3.442 20 30 EGEDMN COc1ccc2c(c1)C(=NNCCN1CCCCC1)CCCS2 ZINC000814808299 1318822721 /nfs/dbraw/zinc/82/27/21/1318822721.db2.gz GRWVDHDKDFDRJE-UHFFFAOYSA-N 0 1 333.501 3.361 20 30 EGEDMN COc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@@H]3N1)CCCS2 ZINC000814886185 1318840056 /nfs/dbraw/zinc/84/00/56/1318840056.db2.gz UMTGESHAVBAXHM-IYBDPMFKSA-N 0 1 344.484 3.145 20 30 EGEDMN Fc1cccc(N=NC2COc3cc(Br)c(F)cc32)n1 ZINC000814927964 1318851536 /nfs/dbraw/zinc/85/15/36/1318851536.db2.gz PGLXBRMNECAIRV-UHFFFAOYSA-N 0 1 340.127 3.331 20 30 EGEDMN CC(=NNc1cnnn1C)c1ccc(SCC(F)(F)F)cc1 ZINC000814982834 1318862287 /nfs/dbraw/zinc/86/22/87/1318862287.db2.gz QJGRXKMMAVTMLJ-UHFFFAOYSA-N 0 1 329.351 3.306 20 30 EGEDMN C#Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)Cc2cnccc2C)cc1 ZINC000960782511 1318885256 /nfs/dbraw/zinc/88/52/56/1318885256.db2.gz HGPKMLVJTFQBCX-OAQYLSRUSA-N 0 1 347.462 3.108 20 30 EGEDMN CCC(C)(C)C(=O)N1CCC[C@H]1CN(C)Cc1ccc(C#N)s1 ZINC000960842477 1318977217 /nfs/dbraw/zinc/97/72/17/1318977217.db2.gz VSNKZLWUNIQHNB-AWEZNQCLSA-N 0 1 333.501 3.479 20 30 EGEDMN 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CCC1(C(=O)N2CCC[C@H]2CNCc2cc(C#N)ccc2F)CCC1 ZINC001045162310 1346511140 /nfs/dbraw/zinc/51/11/40/1346511140.db2.gz XAXQJSLACWVRCC-KRWDZBQOSA-N 0 1 343.446 3.358 20 30 EGEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@H]1CNCc1nc(C)sc1C ZINC001045185710 1346520932 /nfs/dbraw/zinc/52/09/32/1346520932.db2.gz JIOSDOPORXLRBP-MAUKXSAKSA-N 0 1 335.517 3.443 20 30 EGEDMN Cc1ccc(C(=O)NC2(C)CCN(Cc3cccc(C#N)c3)CC2)o1 ZINC001045357187 1346571940 /nfs/dbraw/zinc/57/19/40/1346571940.db2.gz KDNJIBXJXXQFPB-UHFFFAOYSA-N 0 1 337.423 3.244 20 30 EGEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(F)=C1CCCC1 ZINC001079567804 1357308147 /nfs/dbraw/zinc/30/81/47/1357308147.db2.gz ZVSPRTSNRIOKEL-RDTXWAMCSA-N 0 1 341.430 3.292 20 30 EGEDMN C#CCN1CCC(C)(NC(=O)c2cc3c(s2)CCCCC3)CC1 ZINC001045635155 1346654368 /nfs/dbraw/zinc/65/43/68/1346654368.db2.gz TUUCUCXOGNKHPO-UHFFFAOYSA-N 0 1 330.497 3.235 20 30 EGEDMN C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(C(F)F)c1 ZINC001045733738 1346683052 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EGEDMN CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)N(CCCCC(F)(F)F)C1 ZINC001132022183 1375103679 /nfs/dbraw/zinc/10/36/79/1375103679.db2.gz VZCHXMRUZDQPPK-HUUCEWRRSA-N 0 1 332.410 3.348 20 30 EGEDMN C[C@]1(NC(=O)c2ccc(F)cc2)CCN(Cc2ccc(C#N)cc2)C1 ZINC001046103632 1346841948 /nfs/dbraw/zinc/84/19/48/1346841948.db2.gz CDYFAZNTSXBCKT-FQEVSTJZSA-N 0 1 337.398 3.092 20 30 EGEDMN Cc1cccc(C(=O)N[C@]2(C)CCN(Cc3ccc(C#N)cc3)C2)c1 ZINC001046111157 1346850115 /nfs/dbraw/zinc/85/01/15/1346850115.db2.gz MIKVKKKAFNVVGK-OAQYLSRUSA-N 0 1 333.435 3.261 20 30 EGEDMN C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(Cc2cc3ccccc3o2)C1 ZINC001046251793 1346909202 /nfs/dbraw/zinc/90/92/02/1346909202.db2.gz UGZOBTYRWYGCSM-FQEVSTJZSA-N 0 1 348.406 3.027 20 30 EGEDMN C[C@@]1(NC(=O)[C@H]2CCC(F)(F)C2)CCN(Cc2ccc(C#N)cc2)C1 ZINC001046368007 1346951402 /nfs/dbraw/zinc/95/14/02/1346951402.db2.gz SCFLGCQVOJZBFY-FUHWJXTLSA-N 0 1 347.409 3.074 20 30 EGEDMN C=CCn1cccc1C(=O)N[C@@]1(C)CCN(Cc2cccc(F)c2)C1 ZINC001046373972 1346954154 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C=CCN1CCC(F)(F)[C@H](CNC(=O)c2cc(F)c(C)cc2F)C1 ZINC001046950905 1347161596 /nfs/dbraw/zinc/16/15/96/1347161596.db2.gz JNSGORSRRRUAGM-GFCCVEGCSA-N 0 1 344.352 3.146 20 30 EGEDMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)c2cc3cnccc3o2)C1 ZINC001046953903 1347162877 /nfs/dbraw/zinc/16/28/77/1347162877.db2.gz LVNZPHMHJLBSLD-CQSZACIVSA-N 0 1 349.381 3.091 20 30 EGEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)c2cccc3ncccc32)C1 ZINC001046961820 1347166867 /nfs/dbraw/zinc/16/68/67/1347166867.db2.gz RXSBSMCPKCPJLL-CQSZACIVSA-N 0 1 345.393 3.108 20 30 EGEDMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)c2cc[nH]c2C2CC2)C1 ZINC001046970583 1347171441 /nfs/dbraw/zinc/17/14/41/1347171441.db2.gz JIQUHVRVXLIQGB-AWEZNQCLSA-N 0 1 337.414 3.155 20 30 EGEDMN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)c2ccc(CCC)cc2)C1 ZINC001046971834 1347172199 /nfs/dbraw/zinc/17/21/99/1347172199.db2.gz SAFRMXLIKFGDFV-SFHVURJKSA-N 0 1 348.437 3.349 20 30 EGEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)c2ccsc2Cl)C1 ZINC001046976710 1347173919 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EGEDMN C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@@H](CNCc2ncc(C3CC3)o2)C1 ZINC001048337602 1347522448 /nfs/dbraw/zinc/52/24/48/1347522448.db2.gz DYYRZDNLIWEGFW-HOCLYGCPSA-N 0 1 345.487 3.338 20 30 EGEDMN C=C1CCC(C(=O)N2C[C@@H](CNCc3nc(C)c(C)o3)[C@H](C)C2)CC1 ZINC001048364782 1347531861 /nfs/dbraw/zinc/53/18/61/1347531861.db2.gz ATWGXQIZTOKFNL-RDTXWAMCSA-N 0 1 345.487 3.222 20 30 EGEDMN C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C)nc1)C2 ZINC001048502658 1347570393 /nfs/dbraw/zinc/57/03/93/1347570393.db2.gz JWRLRJXEHMHMTP-ACHSLPGTSA-N 0 1 333.863 3.115 20 30 EGEDMN C=CC(C)(C)C(=O)N1C[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001048979032 1347696343 /nfs/dbraw/zinc/69/63/43/1347696343.db2.gz MRTGVGOPUFCORW-GASCZTMLSA-N 0 1 334.410 3.067 20 30 EGEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CN(Cc3cc(F)ccc3F)C[C@H]2C1 ZINC001049026179 1347709882 /nfs/dbraw/zinc/70/98/82/1347709882.db2.gz LYTLZYXLCYNAOP-YRNRMSPPSA-N 0 1 348.437 3.457 20 30 EGEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CN(Cc3nc(C)sc3C)C[C@H]2C1 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MHYWWJUOJUSPFT-UHFFFAOYSA-N 0 1 337.152 3.052 20 30 EGEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)c(C(F)(F)F)n1 ZINC001195671851 1368469234 /nfs/dbraw/zinc/46/92/34/1368469234.db2.gz OCRKRKIHGYSTDF-JTQLQIEISA-N 0 1 347.768 3.134 20 30 EGEDMN N#CCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C#N)cc1O ZINC001195750082 1368482099 /nfs/dbraw/zinc/48/20/99/1368482099.db2.gz DGAISTSGHJWTNH-UHFFFAOYSA-N 0 1 339.782 3.473 20 30 EGEDMN CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1O ZINC001195759124 1368483307 /nfs/dbraw/zinc/48/33/07/1368483307.db2.gz WKKHEPGPVWCIMI-UHFFFAOYSA-N 0 1 338.363 3.471 20 30 EGEDMN CC(C)(CNC(=O)c1ccc(C#N)cc1O)c1c[nH]c2ccccc21 ZINC001195768195 1368485944 /nfs/dbraw/zinc/48/59/44/1368485944.db2.gz IPSYHUFTPWCBHC-UHFFFAOYSA-N 0 1 333.391 3.453 20 30 EGEDMN C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(Cc1cccnc1)C2 ZINC001111848561 1368503136 /nfs/dbraw/zinc/50/31/36/1368503136.db2.gz LAQHAVMYBPQJPI-QRFRQXIXSA-N 0 1 327.472 3.155 20 30 EGEDMN C=C(C)CCC(=O)N1CCCN(CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001196009552 1368534475 /nfs/dbraw/zinc/53/44/75/1368534475.db2.gz AAOUYBBPJQWUGS-RTBURBONSA-N 0 1 336.520 3.472 20 30 EGEDMN C=C(C)[C@@H](CC(=O)N1CCCN(Cc2ccsc2)CC1)OCC ZINC001196024919 1368538312 /nfs/dbraw/zinc/53/83/12/1368538312.db2.gz KXPWQQZZTUIXQS-QGZVFWFLSA-N 0 1 336.501 3.154 20 30 EGEDMN C#CCC1(C(=O)N2CCCN(Cc3ccc(F)cc3C)CC2)CCC1 ZINC001196138236 1368556490 /nfs/dbraw/zinc/55/64/90/1368556490.db2.gz KKOUAEKPIBRAFS-UHFFFAOYSA-N 0 1 342.458 3.362 20 30 EGEDMN CN(CC[N@@H+](C)Cc1ccccc1)C(=S)Nc1ccccc1C#N ZINC001196313058 1368586811 /nfs/dbraw/zinc/58/68/11/1368586811.db2.gz KCLDMXVEFQLILG-UHFFFAOYSA-N 0 1 338.480 3.319 20 30 EGEDMN C#Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2C#N)ccc1F ZINC001196680090 1368660706 /nfs/dbraw/zinc/66/07/06/1368660706.db2.gz XNOPKZRXLDXHDY-UHFFFAOYSA-N 0 1 334.759 3.133 20 30 EGEDMN CC#CCN[C@@H]1CN(C(=O)[C@@](C)(CC)CCC)C[C@H]1C(F)(F)F ZINC001112184707 1368705123 /nfs/dbraw/zinc/70/51/23/1368705123.db2.gz AWCALDWHNVKVTL-FMKPAKJESA-N 0 1 332.410 3.205 20 30 EGEDMN C=C[C@@H](CC)CC(=O)N1CCCN(Cc2sc(C)nc2C)CC1 ZINC001196900229 1368710282 /nfs/dbraw/zinc/71/02/82/1368710282.db2.gz BPSKGGTZQASABQ-INIZCTEOSA-N 0 1 335.517 3.397 20 30 EGEDMN C=CCOCCN1CCCN(C(=O)CCCCc2ccccc2)CC1 ZINC001196993951 1368728002 /nfs/dbraw/zinc/72/80/02/1368728002.db2.gz YBGRADWMOVEMDJ-UHFFFAOYSA-N 0 1 344.499 3.136 20 30 EGEDMN CC[C@@H](C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001186536719 1387965502 /nfs/dbraw/zinc/96/55/02/1387965502.db2.gz FVBFVGAMZQVJRI-RHSMWYFYSA-N 0 1 331.435 3.214 20 30 EGEDMN CN(CC[N@@H+](C)Cc1ccccc1)C(=S)Nc1cccc(C#N)c1 ZINC001197705071 1368876760 /nfs/dbraw/zinc/87/67/60/1368876760.db2.gz JJTJIPIWUNFSGN-UHFFFAOYSA-N 0 1 338.480 3.319 20 30 EGEDMN C=C[C@@H](CC)CC(=O)N1C[C@@H]2CCC[C@]2(CNCc2nocc2C)C1 ZINC001112514653 1368908986 /nfs/dbraw/zinc/90/89/86/1368908986.db2.gz CQODRLABYUEHTJ-ZWOKBUDYSA-N 0 1 345.487 3.304 20 30 EGEDMN C=CCOCCCC(=O)N1CCN(CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001112757770 1368988963 /nfs/dbraw/zinc/98/89/63/1368988963.db2.gz WCFXUJVGDLZUTE-OALUTQOASA-N 0 1 336.520 3.330 20 30 EGEDMN C=CCCCCCN1CCN(C(=O)C2(c3ccccn3)CC2)CC1 ZINC001112850919 1369045925 /nfs/dbraw/zinc/04/59/25/1369045925.db2.gz LRMHNPKCQXPLEM-UHFFFAOYSA-N 0 1 327.472 3.004 20 30 EGEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2c(F)ccc3ccncc32)CC1 ZINC001112867593 1369057808 /nfs/dbraw/zinc/05/78/08/1369057808.db2.gz XPJRJJCWELGWHZ-OAHLLOKOSA-N 0 1 341.430 3.486 20 30 EGEDMN C=CCC[C@H](C)N1CCN(C(=O)c2c(F)ccc3ccncc32)CC1 ZINC001112867592 1369057943 /nfs/dbraw/zinc/05/79/43/1369057943.db2.gz XPJRJJCWELGWHZ-HNNXBMFYSA-N 0 1 341.430 3.486 20 30 EGEDMN N#Cc1cc(F)c(NC(=O)c2cncn2-c2ccncc2)c(Cl)c1 ZINC001198552816 1369059139 /nfs/dbraw/zinc/05/91/39/1369059139.db2.gz UFTBGFOWCQUELI-UHFFFAOYSA-N 0 1 341.733 3.184 20 30 EGEDMN C=CCOCCN[C@H](CNC(=O)/C(C)=C\CC)c1ccccc1OC ZINC001198585712 1369067069 /nfs/dbraw/zinc/06/70/69/1369067069.db2.gz YQNPXZUOSWLOAA-YZIPPPLESA-N 0 1 346.471 3.001 20 30 EGEDMN C=CC(C)(C)CC(=O)N1CCN(CCCc2cccc(OC)c2)CC1 ZINC001112898397 1369079291 /nfs/dbraw/zinc/07/92/91/1369079291.db2.gz OFQZQWXHLMFNGG-UHFFFAOYSA-N 0 1 344.499 3.374 20 30 EGEDMN C=C(C)CN[C@@H](CNC(=O)CCc1ccoc1)c1ccccc1OC ZINC001198654935 1369083005 /nfs/dbraw/zinc/08/30/05/1369083005.db2.gz AYKNAVMMUIPENK-SFHVURJKSA-N 0 1 342.439 3.244 20 30 EGEDMN C=C(C)[C@H](CC(=O)N1CCN(CC2CC3(CCC3)C2)CC1)OCC ZINC001112909749 1369085831 /nfs/dbraw/zinc/08/58/31/1369085831.db2.gz YFTSIFBFRQYKFP-SFHVURJKSA-N 0 1 334.504 3.082 20 30 EGEDMN C=C(C)CN[C@@H](CNC(=O)C[C@H](C)SC)c1ccccc1OC ZINC001198668855 1369087389 /nfs/dbraw/zinc/08/73/89/1369087389.db2.gz VXEJDOMPEYVUSH-HOCLYGCPSA-N 0 1 336.501 3.160 20 30 EGEDMN C=CCN[C@@H](CNC(=O)C[C@H](OCC)C(C)C)c1ccccc1OC ZINC001198759815 1369106822 /nfs/dbraw/zinc/10/68/22/1369106822.db2.gz NDUYOVNFTSXDKL-HKUYNNGSSA-N 0 1 348.487 3.079 20 30 EGEDMN C=C(C)CN[C@@H](CNC(=O)[C@H]1CCC1(F)F)c1ccccc1OC ZINC001198769002 1369108817 /nfs/dbraw/zinc/10/88/17/1369108817.db2.gz YBTNNDUBWWIALY-CABCVRRESA-N 0 1 338.398 3.064 20 30 EGEDMN C=C(C)CN[C@H](CNC(=O)[C@@H]1CCC1(F)F)c1ccccc1OC ZINC001198769005 1369109135 /nfs/dbraw/zinc/10/91/35/1369109135.db2.gz YBTNNDUBWWIALY-LSDHHAIUSA-N 0 1 338.398 3.064 20 30 EGEDMN C=C(C)CN[C@@H](CNC(=O)[C@H](C)C1CCC1)c1ccccc1OC ZINC001198775677 1369111255 /nfs/dbraw/zinc/11/12/55/1369111255.db2.gz JGXIWIPKKKYGJH-QAPCUYQASA-N 0 1 330.472 3.454 20 30 EGEDMN C#CCCN[C@@H](CNC(=O)C[C@@H]1C=CCCC1)c1ccccc1OC ZINC001198776716 1369111929 /nfs/dbraw/zinc/11/19/29/1369111929.db2.gz SUHKJFLDMPLZDI-MJGOQNOKSA-N 0 1 340.467 3.212 20 30 EGEDMN C=CCN[C@H](CNC(=O)C[C@H]1C=CCCC1)c1ccccc1OC ZINC001198777482 1369112216 /nfs/dbraw/zinc/11/22/16/1369112216.db2.gz ZWPZYCPGZZFOOW-FUHWJXTLSA-N 0 1 328.456 3.375 20 30 EGEDMN C#CCCN[C@H](CNC(=O)C1(C2CC2)CCC1)c1ccccc1OC ZINC001198818817 1369120545 /nfs/dbraw/zinc/12/05/45/1369120545.db2.gz OJAYXNZEGDFWLM-GOSISDBHSA-N 0 1 340.467 3.046 20 30 EGEDMN C#CCCN[C@@H](CNC(=O)C1(C)CCCC1)c1ccccc1OC ZINC001198818767 1369120822 /nfs/dbraw/zinc/12/08/22/1369120822.db2.gz NRWNAHBCXBSFMB-KRWDZBQOSA-N 0 1 328.456 3.046 20 30 EGEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cnn3c2ccc(C)c3C)CC1 ZINC001112979007 1369121860 /nfs/dbraw/zinc/12/18/60/1369121860.db2.gz XYXVWFOXNWRYMQ-INIZCTEOSA-N 0 1 340.471 3.064 20 30 EGEDMN C=CCN[C@H](CNC(=O)c1cc(C(C)C)on1)c1ccccc1OC ZINC001198819832 1369121962 /nfs/dbraw/zinc/12/19/62/1369121962.db2.gz WTFTYHFDJKCUOI-MRXNPFEDSA-N 0 1 343.427 3.053 20 30 EGEDMN C=C(C)C(C)(C)C(=O)NC[C@@H](N[C@H](C)COC)c1ccccc1OC ZINC001198825642 1369122534 /nfs/dbraw/zinc/12/25/34/1369122534.db2.gz DQRRIZLLZQSMPW-NVXWUHKLSA-N 0 1 348.487 3.079 20 30 EGEDMN C#CCCN[C@H](CNC(=O)C1(CCC)CCC1)c1ccccc1OC ZINC001198843801 1369128463 /nfs/dbraw/zinc/12/84/63/1369128463.db2.gz YGHQPHIVMZIRDD-GOSISDBHSA-N 0 1 342.483 3.436 20 30 EGEDMN C=C(C)CN[C@@H](CNC(=O)[C@H](CCC)OCC)c1ccccc1OC ZINC001198856898 1369130603 /nfs/dbraw/zinc/13/06/03/1369130603.db2.gz LNHOFLFFPLACNP-HKUYNNGSSA-N 0 1 348.487 3.223 20 30 EGEDMN C=CCC[C@H](C)N1CCN(C(=O)C(C)(C)c2cc(C)ccn2)CC1 ZINC001113008437 1369133223 /nfs/dbraw/zinc/13/32/23/1369133223.db2.gz QJSIZHUOFINDDW-KRWDZBQOSA-N 0 1 329.488 3.167 20 30 EGEDMN C#CCCN[C@H](CNC(=O)c1occc1Cl)c1ccccc1OC ZINC001198885834 1369139941 /nfs/dbraw/zinc/13/99/41/1369139941.db2.gz UAQWDTMHMWKYHO-OAHLLOKOSA-N 0 1 346.814 3.026 20 30 EGEDMN C#CCCN[C@H](CNC(=O)c1ccc(C=C)cc1)c1ccccc1OC ZINC001198916037 1369147418 /nfs/dbraw/zinc/14/74/18/1369147418.db2.gz GUMIFDHTTDSPKX-HXUWFJFHSA-N 0 1 348.446 3.422 20 30 EGEDMN C=CCN[C@@H](CNC(=O)[C@@H](F)c1ccccc1)c1ccccc1OC ZINC001198916500 1369148256 /nfs/dbraw/zinc/14/82/56/1369148256.db2.gz NXAVJQFQIWUVQE-HKUYNNGSSA-N 0 1 342.414 3.339 20 30 EGEDMN C=CCC(C)(C)C(=O)NC[C@@H](NC[C@@H](C)OC)c1ccccc1OC ZINC001198916869 1369148682 /nfs/dbraw/zinc/14/86/82/1369148682.db2.gz VSKUAZCPLUINMC-NVXWUHKLSA-N 0 1 348.487 3.079 20 30 EGEDMN C#CCCN[C@@H](CNC(=O)C1(CC)CCCC1)c1ccccc1OC ZINC001198953098 1369156568 /nfs/dbraw/zinc/15/65/68/1369156568.db2.gz ITHYPNQWHJVLQG-SFHVURJKSA-N 0 1 342.483 3.436 20 30 EGEDMN C=CCN[C@H](CNC(=O)C[C@H](C)n1cccc1)c1ccccc1OC ZINC001198960717 1369159343 /nfs/dbraw/zinc/15/93/43/1369159343.db2.gz LSJHHOULAWHPAF-FUHWJXTLSA-N 0 1 341.455 3.081 20 30 EGEDMN C=CCN[C@@H](CNC(=O)C(C1CC1)C1CC1)c1ccccc1OC ZINC001198961429 1369159417 /nfs/dbraw/zinc/15/94/17/1369159417.db2.gz WWCRJOUUJQVNLU-KRWDZBQOSA-N 0 1 328.456 3.064 20 30 EGEDMN C=CCN[C@H](CNC(=O)c1ccoc1CCC)c1ccccc1OC ZINC001198961146 1369159492 /nfs/dbraw/zinc/15/94/92/1369159492.db2.gz SFJVGPMRVYZCLU-QGZVFWFLSA-N 0 1 342.439 3.487 20 30 EGEDMN C=CCN[C@@H](CNC(=O)C[C@H](C)c1ccco1)c1ccccc1OC ZINC001198961246 1369159544 /nfs/dbraw/zinc/15/95/44/1369159544.db2.gz UMPCLJICUOXCMT-RDJZCZTQSA-N 0 1 342.439 3.415 20 30 EGEDMN C=CCN[C@@H](CNC(=O)C[C@H](C)n1cccc1)c1ccccc1OC ZINC001198960719 1369159640 /nfs/dbraw/zinc/15/96/40/1369159640.db2.gz LSJHHOULAWHPAF-WMZOPIPTSA-N 0 1 341.455 3.081 20 30 EGEDMN C=CCN[C@@H](CNC(=O)[C@H]1CC[C@H](C)CC1)c1ccccc1OC ZINC001198969818 1369161971 /nfs/dbraw/zinc/16/19/71/1369161971.db2.gz XVPAPNVELPYSPS-BQFCYCMXSA-N 0 1 330.472 3.454 20 30 EGEDMN C=C(C)CN[C@H](CNC(=O)C[C@H](C)C1CC1)c1ccccc1OC ZINC001198994640 1369168565 /nfs/dbraw/zinc/16/85/65/1369168565.db2.gz YZDJTYXWOHLWQO-MAUKXSAKSA-N 0 1 330.472 3.454 20 30 EGEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 ZINC001113059905 1369172706 /nfs/dbraw/zinc/17/27/06/1369172706.db2.gz GGFLTAUWAKHLCF-INIZCTEOSA-N 0 1 339.439 3.454 20 30 EGEDMN C=CCCCCCN1CCN(C(=O)C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC001113131701 1369221887 /nfs/dbraw/zinc/22/18/87/1369221887.db2.gz KTZGCPIGTPRBOW-RTBURBONSA-N 0 1 334.504 3.225 20 30 EGEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2noc3c2CC(C)(C)CC3)CC1 ZINC001113139713 1369224550 /nfs/dbraw/zinc/22/45/50/1369224550.db2.gz XXKWTLSYSHGMFX-OAHLLOKOSA-N 0 1 345.487 3.302 20 30 EGEDMN C=CCCCCCN1CCN(C(=O)[C@@H](OCC)C2CCCC2)CC1 ZINC001113167688 1369240018 /nfs/dbraw/zinc/24/00/18/1369240018.db2.gz ZRIVTFIBVDXLDT-IBGZPJMESA-N 0 1 336.520 3.472 20 30 EGEDMN 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DYDCTQZVSGFBTR-JKSUJKDBSA-N 0 1 348.450 3.466 20 30 EGEDMN C[C@H]1CCN(C(=O)c2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000363124863 457230439 /nfs/dbraw/zinc/23/04/39/457230439.db2.gz CJDOIWRGTVJWNE-SFHVURJKSA-N 0 1 347.462 3.489 20 30 EGEDMN Cc1nc(COc2ccc(CN3CCC(C)(C#N)CC3)cc2)no1 ZINC000356949964 457239202 /nfs/dbraw/zinc/23/92/02/457239202.db2.gz VDGGTQKKGAJIGG-UHFFFAOYSA-N 0 1 326.400 3.083 20 30 EGEDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1CC#N ZINC000357340593 457459018 /nfs/dbraw/zinc/45/90/18/457459018.db2.gz IDTXTEXHCVBZGG-UHFFFAOYSA-N 0 1 345.380 3.024 20 30 EGEDMN C[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000342699103 457463978 /nfs/dbraw/zinc/46/39/78/457463978.db2.gz IGMQWJOSBGTDRQ-CQSZACIVSA-N 0 1 333.391 3.271 20 30 EGEDMN CN(Cc1ccccc1)C1CN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC000342723729 457480907 /nfs/dbraw/zinc/48/09/07/457480907.db2.gz GZYJOQTZOOYIMD-HXUWFJFHSA-N 0 1 347.462 3.102 20 30 EGEDMN C=CCCN(C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000342728439 457483624 /nfs/dbraw/zinc/48/36/24/457483624.db2.gz HOQXXHWFKAZVTA-UHFFFAOYSA-N 0 1 343.452 3.447 20 30 EGEDMN C=C[C@](C)(CC)C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000425294782 457485724 /nfs/dbraw/zinc/48/57/24/457485724.db2.gz HHGYQVGUJMWJKX-QGZVFWFLSA-N 0 1 332.835 3.386 20 30 EGEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(Cc2cccnc2)CC1 ZINC000374489745 457639733 /nfs/dbraw/zinc/63/97/33/457639733.db2.gz UHAAXWKKBNCXAT-INIZCTEOSA-N 0 1 348.450 3.235 20 30 EGEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(Cc2cccnc2)CC1 ZINC000374489746 457639825 /nfs/dbraw/zinc/63/98/25/457639825.db2.gz UHAAXWKKBNCXAT-MRXNPFEDSA-N 0 1 348.450 3.235 20 30 EGEDMN N#Cc1ccc(CNc2ncc(C(F)(F)F)[nH]2)c(C(F)(F)F)c1 ZINC000357708926 457664735 /nfs/dbraw/zinc/66/47/35/457664735.db2.gz MJSALCODEUYESA-UHFFFAOYSA-N 0 1 334.223 3.353 20 30 EGEDMN CC[C@@H](C)[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000357912760 457732235 /nfs/dbraw/zinc/73/22/35/457732235.db2.gz NQTTVFFTIPNODG-QAPCUYQASA-N 0 1 334.485 3.233 20 30 EGEDMN CC#CCCNC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000361652595 457812812 /nfs/dbraw/zinc/81/28/12/457812812.db2.gz GGWSXBZDSPDSLN-INIZCTEOSA-N 0 1 343.475 3.155 20 30 EGEDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCC1(C#N)CCCCC1 ZINC000411362892 457865003 /nfs/dbraw/zinc/86/50/03/457865003.db2.gz JCWNOMWWORJJKU-HNNXBMFYSA-N 0 1 349.500 3.191 20 30 EGEDMN Cc1ccc(CCCN2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC000361795598 457865526 /nfs/dbraw/zinc/86/55/26/457865526.db2.gz DSAVEGNXHHTTJF-UHFFFAOYSA-N 0 1 338.430 3.156 20 30 EGEDMN CN(CC(=O)N(C)C1(C#N)CCCCC1)CC1(c2ccccc2)CC1 ZINC000444686900 457939199 /nfs/dbraw/zinc/93/91/99/457939199.db2.gz YELWZVKVWDGJCC-UHFFFAOYSA-N 0 1 339.483 3.335 20 30 EGEDMN C[C@@H](CCC#N)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000411720644 457961722 /nfs/dbraw/zinc/96/17/22/457961722.db2.gz NHAJOQZKUQXGCL-PKOBYXMFSA-N 0 1 327.472 3.282 20 30 EGEDMN C=CCn1c(N2CCN(Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC000427246996 457966223 /nfs/dbraw/zinc/96/62/23/457966223.db2.gz 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458233109 /nfs/dbraw/zinc/23/31/09/458233109.db2.gz SCLWKHSQRHFIMI-KRWDZBQOSA-N 0 1 335.451 3.300 20 30 EGEDMN C=C(C)CN(CCN1CCc2ccccc21)Cc1ccc(CO)o1 ZINC000428957198 458240007 /nfs/dbraw/zinc/24/00/07/458240007.db2.gz PUEUNHZTUPWWBD-UHFFFAOYSA-N 0 1 326.440 3.213 20 30 EGEDMN C=CCN1C(=O)N=NC1S[C@H](C)c1nccn1-c1ccccc1 ZINC000376272596 458255457 /nfs/dbraw/zinc/25/54/57/458255457.db2.gz GYRJKVHWLVCZSR-GFCCVEGCSA-N 0 1 327.413 3.209 20 30 EGEDMN C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1n[nH]c(C)n1 ZINC000412997811 458290485 /nfs/dbraw/zinc/29/04/85/458290485.db2.gz XUEKJFOJJLOUDF-GFCCVEGCSA-N 0 1 340.456 3.335 20 30 EGEDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(C)(C)CC#N ZINC000459262055 458306354 /nfs/dbraw/zinc/30/63/54/458306354.db2.gz TXEUUPBZTOLAFZ-DLBZAZTESA-N 0 1 342.487 3.231 20 30 EGEDMN C=CCC[C@@H](NC(=O)N1CCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000417907732 458367349 /nfs/dbraw/zinc/36/73/49/458367349.db2.gz APEYVGOAPPDCJL-OAHLLOKOSA-N 0 1 341.377 3.328 20 30 EGEDMN N#Cc1ccc(O[C@H]2CCN(C/C=C/c3ccc(F)c(F)c3)C2)nc1 ZINC000430188884 458417124 /nfs/dbraw/zinc/41/71/24/458417124.db2.gz VTKAUQPHSUFLTF-PYKQWIPUSA-N 0 1 341.361 3.398 20 30 EGEDMN COc1cc2c(c(CNCc3ccc(C#N)c(F)c3)c1)O[C@H](C)C2 ZINC000449735961 458429587 /nfs/dbraw/zinc/42/95/87/458429587.db2.gz TUPOAXCIXPDMBQ-GFCCVEGCSA-N 0 1 326.371 3.319 20 30 EGEDMN Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000449835658 458432160 /nfs/dbraw/zinc/43/21/60/458432160.db2.gz PLPJVSBNAWXNNU-AWEZNQCLSA-N 0 1 347.422 3.399 20 30 EGEDMN Cc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)nc1C ZINC000459659558 458439598 /nfs/dbraw/zinc/43/95/98/458439598.db2.gz DJMFEMXVTBTQEZ-UHFFFAOYSA-N 0 1 331.423 3.260 20 30 EGEDMN N#CC1(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)CCC1 ZINC000450767303 458456055 /nfs/dbraw/zinc/45/60/55/458456055.db2.gz ZRLCWKZEAARMHV-ZDUSSCGKSA-N 0 1 335.333 3.196 20 30 EGEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451149714 458467764 /nfs/dbraw/zinc/46/77/64/458467764.db2.gz UGGRQIHOGUTIEQ-SFDCQRBFSA-N 0 1 333.398 3.092 20 30 EGEDMN Cc1ccccc1CCN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000451166184 458467624 /nfs/dbraw/zinc/46/76/24/458467624.db2.gz FUNRJQXUYZUXOV-QGZVFWFLSA-N 0 1 327.472 3.201 20 30 EGEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](OC)[C@@H](C)C1 ZINC000451580362 458481903 /nfs/dbraw/zinc/48/19/03/458481903.db2.gz ZSEHDKDAXZWEBR-ZOBUZTSGSA-N 0 1 336.501 3.008 20 30 EGEDMN C[C@H](CN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)c1ccc(F)cc1 ZINC000438117045 458535478 /nfs/dbraw/zinc/53/54/78/458535478.db2.gz FOYMZPKBNNFCKV-IUSZMWJPSA-N 0 1 349.409 3.275 20 30 EGEDMN C=C(C)CCNC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000453887042 458549528 /nfs/dbraw/zinc/54/95/28/458549528.db2.gz KQXFIBMHSKFGFP-OAHLLOKOSA-N 0 1 343.471 3.068 20 30 EGEDMN C=CC(C)(C)CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000454714722 458571923 /nfs/dbraw/zinc/57/19/23/458571923.db2.gz MHCYIGNLOWCABZ-OAHLLOKOSA-N 0 1 330.476 3.118 20 30 EGEDMN CC[C@H](C)N1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455737789 458610145 /nfs/dbraw/zinc/61/01/45/458610145.db2.gz USEFRNAUVLHALC-ZDUSSCGKSA-N 0 1 334.851 3.354 20 30 EGEDMN CC(C)(C)OC(=O)NCC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000494102182 458627235 /nfs/dbraw/zinc/62/72/35/458627235.db2.gz MMMJFDVFSUNMPU-UHFFFAOYSA-N 0 1 347.434 3.434 20 30 EGEDMN CC[C@@H]1C[C@@]1(NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(C)c1 ZINC000502596350 458660151 /nfs/dbraw/zinc/66/01/51/458660151.db2.gz POAHVSAJUDFNRC-XPGWFJOJSA-N 0 1 325.456 3.018 20 30 EGEDMN CC[C@@H]1C[C@]1(NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(C)c1 ZINC000502596348 458661130 /nfs/dbraw/zinc/66/11/30/458661130.db2.gz POAHVSAJUDFNRC-CDHQVMDDSA-N 0 1 325.456 3.018 20 30 EGEDMN C=CCN1CC[C@H](N2CCC(F)(c3cccc(Cl)c3)CC2)C1=O ZINC000439320618 458690231 /nfs/dbraw/zinc/69/02/31/458690231.db2.gz OGANEPXGNKEFRJ-INIZCTEOSA-N 0 1 336.838 3.388 20 30 EGEDMN C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000439334904 458690811 /nfs/dbraw/zinc/69/08/11/458690811.db2.gz YSVDMUBSGHRKSB-LAUBAEHRSA-N 0 1 347.462 3.443 20 30 EGEDMN C[C@H]1C[C@H](c2ccccc2)CCN1CC(=O)NCc1cccc(C#N)c1 ZINC000439334904 458690819 /nfs/dbraw/zinc/69/08/19/458690819.db2.gz YSVDMUBSGHRKSB-LAUBAEHRSA-N 0 1 347.462 3.443 20 30 EGEDMN CN1CCC(C#N)(NC(=O)CC2(CSc3ccccc3)CC2)CC1 ZINC000547436568 458740867 /nfs/dbraw/zinc/74/08/67/458740867.db2.gz BTXRDISPEUNJAQ-UHFFFAOYSA-N 0 1 343.496 3.053 20 30 EGEDMN C=CCn1c(CC2CCCCC2)nnc1N1CCN2CCCC[C@H]2C1 ZINC000508955101 458769409 /nfs/dbraw/zinc/76/94/09/458769409.db2.gz ZUJBFEOLEDZYFP-SFHVURJKSA-N 0 1 343.519 3.261 20 30 EGEDMN C[C@@H]1[C@H](Cc2ccccc2)CCN1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000472310958 458783504 /nfs/dbraw/zinc/78/35/04/458783504.db2.gz BIZYWSCQPVKQTC-XPGWFJOJSA-N 0 1 333.435 3.038 20 30 EGEDMN CN(C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1)C(=O)OC(C)(C)C ZINC000495031870 458785461 /nfs/dbraw/zinc/78/54/61/458785461.db2.gz OWCKWUCFRZVNDQ-GOSISDBHSA-N 0 1 343.471 3.441 20 30 EGEDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000495033178 458785778 /nfs/dbraw/zinc/78/57/78/458785778.db2.gz UTMIUTVWLIOZGR-QAPCUYQASA-N 0 1 343.471 3.488 20 30 EGEDMN C[C@H](CN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)c1ccccc1 ZINC000513978225 458796167 /nfs/dbraw/zinc/79/61/67/458796167.db2.gz HTZNNCUAYMVPAY-QLVMHMETSA-N 0 1 331.419 3.136 20 30 EGEDMN C=CCC[C@H](O)CN1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000472577819 458801828 /nfs/dbraw/zinc/80/18/28/458801828.db2.gz CUGLNCCVLAHLHJ-LPHOPBHVSA-N 0 1 338.442 3.361 20 30 EGEDMN C=CCC[C@H](O)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000472751549 458806956 /nfs/dbraw/zinc/80/69/56/458806956.db2.gz OFGSVVKYMVUFNV-AWEZNQCLSA-N 0 1 328.250 3.087 20 30 EGEDMN CC[C@H](CC#N)NC[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000515496197 458810819 /nfs/dbraw/zinc/81/08/19/458810819.db2.gz LZRWTHAFTHIVNE-UXHICEINSA-N 0 1 338.451 3.435 20 30 EGEDMN CN(C)[C@@H](CNC(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000531067442 458865993 /nfs/dbraw/zinc/86/59/93/458865993.db2.gz 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