smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000747105486 1078097564 /nfs/dbraw/zinc/09/75/64/1078097564.db2.gz AZYRAEORWSDCOS-KRWDZBQOSA-N 0 3 408.414 2.820 20 30 HFEDHN CCc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000747105490 1078097611 /nfs/dbraw/zinc/09/76/11/1078097611.db2.gz AZYRAEORWSDCOS-QGZVFWFLSA-N 0 3 408.414 2.820 20 30 HFEDHN C[C@H](CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N1CCCCC1 ZINC000793707143 1078276882 /nfs/dbraw/zinc/27/68/82/1078276882.db2.gz DTJVVDJDSDZYMG-MRXNPFEDSA-N 0 3 410.543 2.894 20 30 HFEDHN C#CCNc1nc(N[C@@H]2CCOC3(CCC3)C2)nc(N[C@H]2CCOC3(CCC3)C2)n1 ZINC000804562686 1078598082 /nfs/dbraw/zinc/59/80/82/1078598082.db2.gz QNWGDTOCFRHVPR-CALCHBBNSA-N 0 3 412.538 2.944 20 30 HFEDHN C=C(C)CN1CCC(NC(=O)NC[C@]2(COC)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000805081141 1078912565 /nfs/dbraw/zinc/91/25/65/1078912565.db2.gz TZLAHNPUXHEDCT-QFIPXVFZSA-N 0 3 424.586 2.742 20 30 HFEDHN CC(C)(C)OC(=O)N1CCN(CCN2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000788483450 1077176621 /nfs/dbraw/zinc/17/66/21/1077176621.db2.gz RHSLMQKUUXPUKY-UHFFFAOYSA-N 0 3 413.566 2.623 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2cccs2)N2CCCC2)n1 ZINC000788850601 1077319255 /nfs/dbraw/zinc/31/92/55/1077319255.db2.gz SJEXKQREHXICTO-LJQANCHMSA-N 0 3 415.563 2.573 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)n1 ZINC000788867692 1077324787 /nfs/dbraw/zinc/32/47/87/1077324787.db2.gz YJIUSMVFHQCVBG-HSZRJFAPSA-N 0 3 423.561 2.511 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)N2CCc3ccccc3C2)n1 ZINC000788876854 1077327041 /nfs/dbraw/zinc/32/70/41/1077327041.db2.gz ZNGJTHXCCGUEIN-UHFFFAOYSA-N 0 3 423.561 2.511 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)n1 ZINC000788928807 1077339724 /nfs/dbraw/zinc/33/97/24/1077339724.db2.gz LOUVWMCJGNYKFC-QHCPKHFHSA-N 0 3 423.561 2.820 20 30 HFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789343786 1077528646 /nfs/dbraw/zinc/52/86/46/1077528646.db2.gz NJRRIJIOXOOYSL-LSDHHAIUSA-N 0 3 413.474 2.990 20 30 HFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789343767 1077528696 /nfs/dbraw/zinc/52/86/96/1077528696.db2.gz NJRRIJIOXOOYSL-CABCVRRESA-N 0 3 413.474 2.990 20 30 HFEDHN Cc1ccc(S(=O)(=O)N(C)CC(=O)C(C#N)c2cnc3ccccc3n2)cc1C ZINC000792108463 1077699950 /nfs/dbraw/zinc/69/99/50/1077699950.db2.gz MJMULVOKGTVBBK-QGZVFWFLSA-N 0 3 408.483 2.744 20 30 HFEDHN C=CCN1CCC(NC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000792987514 1078041516 /nfs/dbraw/zinc/04/15/16/1078041516.db2.gz CBTRDEZKSSCKRW-JOCHJYFZSA-N 0 3 400.523 2.737 20 30 HFEDHN C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)cc1 ZINC000807288513 1080454784 /nfs/dbraw/zinc/45/47/84/1080454784.db2.gz VYWIXLJAXDWCDJ-UHFFFAOYSA-N 0 3 422.529 2.648 20 30 HFEDHN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000807405351 1080599050 /nfs/dbraw/zinc/59/90/50/1080599050.db2.gz VOSVGUMUDXRCKE-UHFFFAOYSA-N 0 3 418.541 2.737 20 30 HFEDHN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164390107 718826204 /nfs/dbraw/zinc/82/62/04/718826204.db2.gz MMDOEWGUJIFFIR-NVXWUHKLSA-N 0 3 405.836 2.781 20 30 HFEDHN N#CC1(c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2)CCOCC1 ZINC001164879480 721132247 /nfs/dbraw/zinc/13/22/47/721132247.db2.gz SQNAFUPPIUSQKP-FGZHOGPDSA-N 0 3 419.529 2.528 20 30 HFEDHN N#Cc1cc(F)c(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976541 722100172 /nfs/dbraw/zinc/10/01/72/722100172.db2.gz DVHMIVDJRKCSBU-YJBOKZPZSA-N 0 3 401.873 2.868 20 30 HFEDHN C=CCN1CCC(NC(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000790579633 1078060641 /nfs/dbraw/zinc/06/06/41/1078060641.db2.gz MPDVZJFYCFTEBO-UHFFFAOYSA-N 0 3 405.300 2.802 20 30 HFEDHN CS(=O)(=O)c1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1F ZINC000793125935 1078072347 /nfs/dbraw/zinc/07/23/47/1078072347.db2.gz QQWLZFLODZWSRT-LLVKDONJSA-N 0 3 412.801 2.983 20 30 HFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793127806 1078072396 /nfs/dbraw/zinc/07/23/96/1078072396.db2.gz YGUDSEZZVPDJGB-HZPDHXFCSA-N 0 3 402.859 2.949 20 30 HFEDHN C=CCN1CCC(NC(=O)NCC2(COC)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000790733072 1078118820 /nfs/dbraw/zinc/11/88/20/1078118820.db2.gz UPXZOBIOJZMLMZ-UHFFFAOYSA-N 0 3 424.586 2.600 20 30 HFEDHN C#CCNc1nc(NCCc2ccncc2C)nc(NCCc2ccncc2C)n1 ZINC000804575297 1078615739 /nfs/dbraw/zinc/61/57/39/1078615739.db2.gz NFXAHZPRNLRIBF-UHFFFAOYSA-N 0 3 402.506 2.633 20 30 HFEDHN C#CCNC(=O)C1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC)CC1 ZINC000805753058 1079231626 /nfs/dbraw/zinc/23/16/26/1079231626.db2.gz MTFBYRZBNSNHFD-FQEVSTJZSA-N 0 3 418.969 2.894 20 30 HFEDHN C=CC[C@@H](NC(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC)c1ccncc1 ZINC000805808928 1079284746 /nfs/dbraw/zinc/28/47/46/1079284746.db2.gz KNBCYDDCDSSTOI-FGZHOGPDSA-N 0 3 421.545 2.723 20 30 HFEDHN CC(C)(C)OC(=O)[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000746679887 1076800986 /nfs/dbraw/zinc/80/09/86/1076800986.db2.gz QRFWMXFPUKSSKG-CJNGLKHVSA-N 0 3 401.488 2.515 20 30 HFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788766730 1077282267 /nfs/dbraw/zinc/28/22/67/1077282267.db2.gz SMHCWMZOKKHXLR-IBGZPJMESA-N 0 3 412.534 2.705 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)n1 ZINC000788898652 1077344020 /nfs/dbraw/zinc/34/40/20/1077344020.db2.gz SWOPBLRWUWZBBT-TZIWHRDSSA-N 0 3 409.534 2.510 20 30 HFEDHN CC(=O)N=C1C=CC(=C([O-])C(C(=S)NC2(C)CC2)n2ccc(=[N+](C)C)cc2)C=C1 ZINC000789418484 1077550435 /nfs/dbraw/zinc/55/04/35/1077550435.db2.gz GBJSCGRMOMDRRR-UHFFFAOYSA-O 0 3 411.551 2.644 20 30 HFEDHN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC000789436027 1077571269 /nfs/dbraw/zinc/57/12/69/1077571269.db2.gz XOKCIEXUHJAVFW-HOTGVXAUSA-N 0 3 417.893 2.922 20 30 HFEDHN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC000789436031 1077571323 /nfs/dbraw/zinc/57/13/23/1077571323.db2.gz XOKCIEXUHJAVFW-JKSUJKDBSA-N 0 3 417.893 2.922 20 30 HFEDHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000789739243 1077773394 /nfs/dbraw/zinc/77/33/94/1077773394.db2.gz JSDWKBRMBKYGNN-RXVVDRJESA-N 0 3 405.506 2.538 20 30 HFEDHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3ccc(F)c(C#N)c3)cc2)CC1 ZINC000792307080 1077798172 /nfs/dbraw/zinc/79/81/72/1077798172.db2.gz OGDGVOVISGWMHW-UHFFFAOYSA-N 0 3 410.449 2.635 20 30 HFEDHN CN(C)Cc1cc(=O)n2c(n1)CN(C1CCC(C#N)(c3ccccc3)CC1)CCC2 ZINC001170381116 1077963596 /nfs/dbraw/zinc/96/35/96/1077963596.db2.gz HNQRLUQCWCXVHN-UHFFFAOYSA-N 0 3 405.546 2.915 20 30 HFEDHN N#Cc1ccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164982749 722105649 /nfs/dbraw/zinc/10/56/49/722105649.db2.gz ONMFLMKXRFRKSI-DENIHFKCSA-N 0 3 400.486 2.624 20 30 HFEDHN C=CC[C@]1(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634117 1078069620 /nfs/dbraw/zinc/06/96/20/1078069620.db2.gz RAQDBWDFSZBYFP-WMZHIEFXSA-N 0 3 422.614 2.722 20 30 HFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793122415 1078070928 /nfs/dbraw/zinc/07/09/28/1078070928.db2.gz BUDZOIXASKPAGO-JKSUJKDBSA-N 0 3 412.467 2.694 20 30 HFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793122411 1078070982 /nfs/dbraw/zinc/07/09/82/1078070982.db2.gz BUDZOIXASKPAGO-HOTGVXAUSA-N 0 3 412.467 2.694 20 30 HFEDHN N#Cc1ccc(O[C@@H]2CCN(C(=S)NC3CCN(Cc4ccccc4)CC3)C2)nc1 ZINC000793266944 1078113973 /nfs/dbraw/zinc/11/39/73/1078113973.db2.gz OSHLSFPPACYQHB-OAQYLSRUSA-N 0 3 421.570 2.945 20 30 HFEDHN C#CCNc1nc(NCCc2cccc(C)n2)nc(NCCc2cccc(C)n2)n1 ZINC000804678551 1078514915 /nfs/dbraw/zinc/51/49/15/1078514915.db2.gz JEJHDCLEMDKGNL-UHFFFAOYSA-N 0 3 402.506 2.633 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CN2CCCC2)c2ccccc2)n1 ZINC000788866147 1077324250 /nfs/dbraw/zinc/32/42/50/1077324250.db2.gz CYRBHBMNRKNPRI-JOCHJYFZSA-N 0 3 409.534 2.511 20 30 HFEDHN CSC[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000792109119 1077700622 /nfs/dbraw/zinc/70/06/22/1077700622.db2.gz OCHWWVPCPBYZQQ-DEXNDLTESA-N 0 3 422.510 2.713 20 30 HFEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ccc1F ZINC000746846271 1077728561 /nfs/dbraw/zinc/72/85/61/1077728561.db2.gz CVPXYEKIGPZBSQ-BQFCYCMXSA-N 0 3 423.554 2.767 20 30 HFEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CC1 ZINC000792953158 1078034193 /nfs/dbraw/zinc/03/41/93/1078034193.db2.gz NAZQONVILKDZSC-HXUWFJFHSA-N 0 3 414.550 2.985 20 30 HFEDHN C#C[C@H](NC(=O)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1)C(C)(C)C ZINC000807536780 1080752271 /nfs/dbraw/zinc/75/22/71/1080752271.db2.gz ZVVJRVALLXEMRS-PMACEKPBSA-N 0 3 421.545 2.741 20 30 HFEDHN C#C[C@H](NC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1)C(C)(C)C ZINC000807536781 1080752424 /nfs/dbraw/zinc/75/24/24/1080752424.db2.gz ZVVJRVALLXEMRS-UXHICEINSA-N 0 3 421.545 2.741 20 30 HFEDHN Cc1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164746836 720741911 /nfs/dbraw/zinc/74/19/11/720741911.db2.gz YUORESNZHKTFIQ-PMACEKPBSA-N 0 3 407.594 2.751 20 30 HFEDHN Cc1nc(C#N)c(N2CCC(C(=O)N(CCc3ccccc3)CCN(C)C)CC2)o1 ZINC000793108304 1078080804 /nfs/dbraw/zinc/08/08/04/1078080804.db2.gz YILPHCQGOOIQFT-UHFFFAOYSA-N 0 3 409.534 2.704 20 30 HFEDHN COc1cccc(Cl)c1CC(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000790774281 1078130243 /nfs/dbraw/zinc/13/02/43/1078130243.db2.gz UDOPYFPZFUCMLF-MRXNPFEDSA-N 0 3 413.861 2.940 20 30 HFEDHN C=CCNS(=O)(=O)c1cc(C(=O)N(CCC)CCN2CCCCC2)ccc1F ZINC000804566983 1078602387 /nfs/dbraw/zinc/60/23/87/1078602387.db2.gz IXTWRMOJIGVBRW-UHFFFAOYSA-N 0 3 411.543 2.628 20 30 HFEDHN C#CCN(C(=O)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C)C1CCCC1 ZINC000787753564 1076927983 /nfs/dbraw/zinc/92/79/83/1076927983.db2.gz YZOHZXKUFSNOJT-QFIPXVFZSA-N 0 3 409.574 2.980 20 30 HFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788749140 1077289804 /nfs/dbraw/zinc/28/98/04/1077289804.db2.gz YRXPVHLBABLNSA-LJQANCHMSA-N 0 3 412.534 2.705 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)n1 ZINC000788898649 1077344107 /nfs/dbraw/zinc/34/41/07/1077344107.db2.gz SWOPBLRWUWZBBT-PZJWPPBQSA-N 0 3 409.534 2.510 20 30 HFEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)c2nnn(CC3CCCC3)c2C)cc1 ZINC000789403498 1077561496 /nfs/dbraw/zinc/56/14/96/1077561496.db2.gz LYTQWVZOTYXLEZ-SFHVURJKSA-N 0 3 423.473 2.915 20 30 HFEDHN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)C(C#N)c3cnc4ccccc4n3)cc12 ZINC000792108305 1077700348 /nfs/dbraw/zinc/70/03/48/1077700348.db2.gz LNPCNTZDEBJHSX-TZMCWYRMSA-N 0 3 418.482 2.881 20 30 HFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000789714753 1077753784 /nfs/dbraw/zinc/75/37/84/1077753784.db2.gz BELAZWXJTRIENK-QGZVFWFLSA-N 0 3 408.329 2.950 20 30 HFEDHN N#CC(C(=O)Cc1cc2c(cc1Br)OCCO2)C(=O)NC1CCCCC1 ZINC000789800644 1077805110 /nfs/dbraw/zinc/80/51/10/1077805110.db2.gz XJJLJFKCPKJXAF-CQSZACIVSA-N 0 3 421.291 2.921 20 30 HFEDHN COc1ccc(CNC(=O)C(C#N)C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000796652985 1077837542 /nfs/dbraw/zinc/83/75/42/1077837542.db2.gz WXFVVLXDRSXIOM-AEFFLSMTSA-N 0 3 415.490 2.666 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000790105394 1077950806 /nfs/dbraw/zinc/95/08/06/1077950806.db2.gz HEQQIQFXBRPIJV-HXUWFJFHSA-N 0 3 412.509 2.543 20 30 HFEDHN CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(c3ccncc3OC)CC2)c1 ZINC000792940342 1078022164 /nfs/dbraw/zinc/02/21/64/1078022164.db2.gz QPAKSBHSTVFDPA-GOSISDBHSA-N 0 3 409.490 2.803 20 30 HFEDHN C#C[C@H](NC(=O)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1)C(C)(C)C ZINC000807535931 1080751371 /nfs/dbraw/zinc/75/13/71/1080751371.db2.gz GUTDUKLTVVDKPP-PMACEKPBSA-N 0 3 421.545 2.741 20 30 HFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1Cl ZINC000793126688 1078072174 /nfs/dbraw/zinc/07/21/74/1078072174.db2.gz VEPSASPMBFFDJN-LBPRGKRZSA-N 0 3 424.837 2.852 20 30 HFEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)cc1 ZINC000747106312 1078098931 /nfs/dbraw/zinc/09/89/31/1078098931.db2.gz PVWKPSNGPRIGRY-KRWDZBQOSA-N 0 3 415.490 2.858 20 30 HFEDHN C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000793785455 1078294046 /nfs/dbraw/zinc/29/40/46/1078294046.db2.gz QPWVQODFWKAGOR-QGZVFWFLSA-N 0 3 408.340 2.601 20 30 HFEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)CSCc2cscn2)cc1 ZINC000747205387 1078500561 /nfs/dbraw/zinc/50/05/61/1078500561.db2.gz UWJUBRNPRVQRGI-OAHLLOKOSA-N 0 3 403.485 2.901 20 30 HFEDHN N#Cc1cc(Br)ccc1COC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000805390081 1079035675 /nfs/dbraw/zinc/03/56/75/1079035675.db2.gz DNTJFHJUKWTBSZ-NWDGAFQWSA-N 0 3 405.170 2.821 20 30 HFEDHN N#CC(C(=O)Cc1ccc(I)cc1)C(=O)NC1CCCCC1 ZINC000788082021 1077054462 /nfs/dbraw/zinc/05/44/62/1077054462.db2.gz UZXMHBCTJLWNAR-OAHLLOKOSA-N 0 3 410.255 2.991 20 30 HFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCc2nc(C)sc21)C(C)C ZINC000788444362 1077161974 /nfs/dbraw/zinc/16/19/74/1077161974.db2.gz QEPMGFXIGDODHR-MSOLQXFVSA-N 0 3 404.580 2.760 20 30 HFEDHN CN(CC(=O)C(C#N)c1cnc2ccccc2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000792107486 1077699772 /nfs/dbraw/zinc/69/97/72/1077699772.db2.gz GWOBJQSMLRMWPQ-HNNXBMFYSA-N 0 3 414.874 2.780 20 30 HFEDHN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)C(C#N)c3cnc4ccccc4n3)C2=O)cc1 ZINC000792111122 1077701520 /nfs/dbraw/zinc/70/15/20/1077701520.db2.gz WPAHKFDXCFIGGG-QMHKHESXSA-N 0 3 413.437 2.582 20 30 HFEDHN C#CCOc1cccc(NC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792401589 1077836408 /nfs/dbraw/zinc/83/64/08/1077836408.db2.gz YUWFPSYHIUJWRN-UHFFFAOYSA-N 0 3 423.435 2.559 20 30 HFEDHN CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)Nc2ccc(C#N)nn2)cc1 ZINC001170268959 1077923301 /nfs/dbraw/zinc/92/33/01/1077923301.db2.gz FUVCSMBAFGBIBE-UHFFFAOYSA-N 0 3 424.461 2.627 20 30 HFEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC001130742375 1080006331 /nfs/dbraw/zinc/00/63/31/1080006331.db2.gz UKAHNFMYWWCBLX-IBGZPJMESA-N 0 3 422.529 2.981 20 30 HFEDHN CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccco1 ZINC000807109295 1080288598 /nfs/dbraw/zinc/28/85/98/1080288598.db2.gz FNBWNSWLUMVHJH-MWDXBVQZSA-N 0 3 419.526 2.767 20 30 HFEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807248902 1080406051 /nfs/dbraw/zinc/40/60/51/1080406051.db2.gz YQNVBRQZTVKBRA-UHFFFAOYSA-N 0 3 412.559 2.949 20 30 HFEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000807465236 1080642393 /nfs/dbraw/zinc/64/23/93/1080642393.db2.gz GWAHEPQWCVFLEU-SMIHKQSGSA-N 0 3 405.542 2.803 20 30 HFEDHN C#C[C@@H](NC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1)C(C)(C)C ZINC000807536783 1080752192 /nfs/dbraw/zinc/75/21/92/1080752192.db2.gz ZVVJRVALLXEMRS-WOJBJXKFSA-N 0 3 421.545 2.741 20 30 HFEDHN C=C(C)CN1CCC(NC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000747403046 1080767325 /nfs/dbraw/zinc/76/73/25/1080767325.db2.gz MGZMVLKMMCPXMI-UHFFFAOYSA-N 0 3 400.523 2.691 20 30 HFEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000793278623 1078110374 /nfs/dbraw/zinc/11/03/74/1078110374.db2.gz DCTJGMVJYSPUTP-QYZOEREBSA-N 0 3 410.495 2.924 20 30 HFEDHN N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793282438 1078117782 /nfs/dbraw/zinc/11/77/82/1078117782.db2.gz YYGIWOBFZUONNX-IRXDYDNUSA-N 0 3 416.886 2.626 20 30 HFEDHN C=CC[C@@]1(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000790817387 1078153617 /nfs/dbraw/zinc/15/36/17/1078153617.db2.gz GSNHRBUOFLGILE-QFIPXVFZSA-N 0 3 418.538 2.694 20 30 HFEDHN C[C@@H](NC(=O)OCc1ccccc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000747306070 1079430703 /nfs/dbraw/zinc/43/07/03/1079430703.db2.gz GZVMQPMJLPDETF-GOSISDBHSA-N 0 3 408.502 2.763 20 30 HFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnc(Br)c(OC)c2)cc1 ZINC000788350868 1077107569 /nfs/dbraw/zinc/10/75/69/1077107569.db2.gz IOXYJZFADIMNMP-ZDUSSCGKSA-N 0 3 404.220 2.822 20 30 HFEDHN CCN1CCN(c2ccc(NC(=O)Cn3cc(C#N)c(=O)c4ccccc43)cc2)CC1 ZINC000788494597 1077181207 /nfs/dbraw/zinc/18/12/07/1077181207.db2.gz QGBYVFMPBMEMHP-UHFFFAOYSA-N 0 3 415.497 2.654 20 30 HFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccnc1Br ZINC000791324709 1077374259 /nfs/dbraw/zinc/37/42/59/1077374259.db2.gz BDADSTSNSKSXJB-UHFFFAOYSA-N 0 3 401.308 2.849 20 30 HFEDHN CC(=O)c1cc(C(=O)C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1C ZINC000789405939 1077562300 /nfs/dbraw/zinc/56/23/00/1077562300.db2.gz PZGRKYWUKWXRFE-OAHLLOKOSA-N 0 3 423.381 2.838 20 30 HFEDHN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792100716 1077695930 /nfs/dbraw/zinc/69/59/30/1077695930.db2.gz PUIZYOGQAYKUNA-WBPRFABPSA-N 0 3 419.485 2.943 20 30 HFEDHN CSC[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000792109126 1077700634 /nfs/dbraw/zinc/70/06/34/1077700634.db2.gz OCHWWVPCPBYZQQ-QCUYGVNKSA-N 0 3 422.510 2.713 20 30 HFEDHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000789739244 1077773352 /nfs/dbraw/zinc/77/33/52/1077773352.db2.gz JSDWKBRMBKYGNN-WIYYLYMNSA-N 0 3 405.506 2.538 20 30 HFEDHN N#CC(C(=O)Cc1cc2c(cc1Br)OCCO2)C(=O)Nc1ccccn1 ZINC000789802220 1077805364 /nfs/dbraw/zinc/80/53/64/1077805364.db2.gz WIJFPHKYQUNJHU-LBPRGKRZSA-N 0 3 416.231 2.505 20 30 HFEDHN Cc1ccnc(C2CCN(CC#CCN3CCC(c4nccc(C)n4)CC3)CC2)n1 ZINC000792878299 1078016086 /nfs/dbraw/zinc/01/60/86/1078016086.db2.gz USPAGIQKFGWSTD-UHFFFAOYSA-N 0 3 404.562 2.946 20 30 HFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)C(C)C ZINC000792955742 1078034642 /nfs/dbraw/zinc/03/46/42/1078034642.db2.gz XXKZXTBUHXAIDB-AWEZNQCLSA-N 0 3 409.328 2.597 20 30 HFEDHN C=CCN1C(=O)c2ccc(C(=O)N[C@]3(C)CCN(Cc4ccccc4)C3)cc2C1=O ZINC001130609269 1079628269 /nfs/dbraw/zinc/62/82/69/1079628269.db2.gz DQYYWNKEFGUEEI-XMMPIXPASA-N 0 3 403.482 2.863 20 30 HFEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001130609965 1079629393 /nfs/dbraw/zinc/62/93/93/1079629393.db2.gz OHXPSSVFPZPNMU-XMMPIXPASA-N 0 3 416.529 2.931 20 30 HFEDHN N#CCOc1ccc(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC001130733002 1079970858 /nfs/dbraw/zinc/97/08/58/1079970858.db2.gz HHNRATBFZBNPBJ-PKTZIBPZSA-N 0 3 405.498 2.633 20 30 HFEDHN C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H](c1ccccc1)N(C)C ZINC000807110102 1080287494 /nfs/dbraw/zinc/28/74/94/1080287494.db2.gz PZLVGAAUFKCCFW-AITUJVMLSA-N 0 3 415.538 2.736 20 30 HFEDHN C=CCCN(OCc1ccccc1)C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000807297824 1080492284 /nfs/dbraw/zinc/49/22/84/1080492284.db2.gz MSWFOTIGRWNEPT-UHFFFAOYSA-N 0 3 421.541 2.738 20 30 HFEDHN CN(C)Cc1ccnc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1 ZINC001164664911 719359250 /nfs/dbraw/zinc/35/92/50/719359250.db2.gz RZRVVHMMXFHUKZ-QHCPKHFHSA-N 0 3 406.534 2.533 20 30 HFEDHN N#CC1(c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2)CCOCC1 ZINC001164879481 721133356 /nfs/dbraw/zinc/13/33/56/721133356.db2.gz SQNAFUPPIUSQKP-VXKWHMMOSA-N 0 3 419.529 2.528 20 30 HFEDHN N#Cc1ccc(-c2ccncc2)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880919 721136385 /nfs/dbraw/zinc/13/63/85/721136385.db2.gz XOTYTKQOAWVBAS-FCHUYYIVSA-N 0 3 412.497 2.890 20 30 HFEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)c2cnc(OC)c(Cl)c2)cc1 ZINC000793123259 1078071243 /nfs/dbraw/zinc/07/12/43/1078071243.db2.gz FTVJUKIUTVPGIF-CQSZACIVSA-N 0 3 401.806 2.881 20 30 HFEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000793278618 1078109588 /nfs/dbraw/zinc/10/95/88/1078109588.db2.gz DCTJGMVJYSPUTP-OTWHNJEPSA-N 0 3 410.495 2.924 20 30 HFEDHN N#Cc1ccncc1N1CCN(Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000793675059 1078250134 /nfs/dbraw/zinc/25/01/34/1078250134.db2.gz SYPAWIPFPAEIQG-UHFFFAOYSA-N 0 3 424.302 2.810 20 30 HFEDHN C#CCN1CCC(C(=O)NCc2ccc(I)cc2Cl)CC1 ZINC000794347113 1078421582 /nfs/dbraw/zinc/42/15/82/1078421582.db2.gz OLNFPBBDULCQTH-UHFFFAOYSA-N 0 3 416.690 2.906 20 30 HFEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)CSCc2cscn2)cc1 ZINC000747205386 1078500456 /nfs/dbraw/zinc/50/04/56/1078500456.db2.gz UWJUBRNPRVQRGI-HNNXBMFYSA-N 0 3 403.485 2.901 20 30 HFEDHN CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H](N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000787716907 1076924637 /nfs/dbraw/zinc/92/46/37/1076924637.db2.gz KFKSIANHQIECRJ-NFBKMPQASA-N 0 3 414.550 2.831 20 30 HFEDHN C#CCN(C(=O)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C)C1CCCC1 ZINC000787753563 1076928001 /nfs/dbraw/zinc/92/80/01/1076928001.db2.gz YZOHZXKUFSNOJT-JOCHJYFZSA-N 0 3 409.574 2.980 20 30 HFEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc([N+](=O)[O-])c1C ZINC000791772401 1077547109 /nfs/dbraw/zinc/54/71/09/1077547109.db2.gz AOIIDEXMKCJVDC-INIZCTEOSA-N 0 3 424.413 2.575 20 30 HFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cn(-c3cc(C)cc(F)c3)nn2)cc1OC ZINC000789403881 1077561562 /nfs/dbraw/zinc/56/15/62/1077561562.db2.gz OQWZGUVBPULPHV-MRXNPFEDSA-N 0 3 423.404 2.693 20 30 HFEDHN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)C(C#N)c3cnc4ccccc4n3)C2=O)cc1 ZINC000792111123 1077701644 /nfs/dbraw/zinc/70/16/44/1077701644.db2.gz WPAHKFDXCFIGGG-WAIKUNEKSA-N 0 3 413.437 2.582 20 30 HFEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1F ZINC000746874250 1077929916 /nfs/dbraw/zinc/92/99/16/1077929916.db2.gz HLYGZNGHMXLSQP-UHFFFAOYSA-N 0 3 423.554 2.817 20 30 HFEDHN Cc1nc(CN2CCN(CC(=O)C(C#N)c3nc4ccccc4s3)CC2)oc1C ZINC000772747752 1077946295 /nfs/dbraw/zinc/94/62/95/1077946295.db2.gz VBFUSCTUJVSTGP-INIZCTEOSA-N 0 3 409.515 2.895 20 30 HFEDHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000792994567 1078043130 /nfs/dbraw/zinc/04/31/30/1078043130.db2.gz GRSZYZFPVOZDIU-MRXNPFEDSA-N 0 3 422.533 2.580 20 30 HFEDHN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164390108 718826114 /nfs/dbraw/zinc/82/61/14/718826114.db2.gz MMDOEWGUJIFFIR-RDJZCZTQSA-N 0 3 405.836 2.781 20 30 HFEDHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1 ZINC001164629405 719138269 /nfs/dbraw/zinc/13/82/69/719138269.db2.gz AQVZOJLIQAANMS-INIZCTEOSA-N 0 3 406.820 2.770 20 30 HFEDHN CNC(=O)CN1CCCC12CCN(c1ccc([C@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164685187 719699863 /nfs/dbraw/zinc/69/98/63/719699863.db2.gz RWXZCWOPYJVMFE-HXUWFJFHSA-N 0 3 418.545 2.621 20 30 HFEDHN CS(=O)(=O)c1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1F ZINC000793125963 1078072328 /nfs/dbraw/zinc/07/23/28/1078072328.db2.gz QQWLZFLODZWSRT-NSHDSACASA-N 0 3 412.801 2.983 20 30 HFEDHN C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000793785453 1078294109 /nfs/dbraw/zinc/29/41/09/1078294109.db2.gz QPWVQODFWKAGOR-KRWDZBQOSA-N 0 3 408.340 2.601 20 30 HFEDHN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000804945659 1078773633 /nfs/dbraw/zinc/77/36/33/1078773633.db2.gz MTZQSYGHOUAVKL-XMMPIXPASA-N 0 3 404.558 2.868 20 30 HFEDHN C=CC[C@@H](NC(=O)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccncc1 ZINC000805812935 1079287421 /nfs/dbraw/zinc/28/74/21/1079287421.db2.gz GANDYKNIPRGFAK-DAWZGUTISA-N 0 3 424.467 2.737 20 30 HFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788766732 1077281952 /nfs/dbraw/zinc/28/19/52/1077281952.db2.gz SMHCWMZOKKHXLR-LJQANCHMSA-N 0 3 412.534 2.705 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)n1 ZINC000789021681 1077387034 /nfs/dbraw/zinc/38/70/34/1077387034.db2.gz NNZWPUVOZTWGJY-QHCPKHFHSA-N 0 3 423.561 2.902 20 30 HFEDHN C#CCN1CCC(C(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)CC1 ZINC000747022977 1077490874 /nfs/dbraw/zinc/49/08/74/1077490874.db2.gz WYNRIBJNJKIAAJ-SFHVURJKSA-N 0 3 400.523 2.932 20 30 HFEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1C ZINC000791773839 1077548144 /nfs/dbraw/zinc/54/81/44/1077548144.db2.gz QOICTVABJQIQQP-CQSZACIVSA-N 0 3 411.370 2.644 20 30 HFEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1C ZINC000791773838 1077548200 /nfs/dbraw/zinc/54/82/00/1077548200.db2.gz QOICTVABJQIQQP-AWEZNQCLSA-N 0 3 411.370 2.644 20 30 HFEDHN C=CCn1c(CCN2CCCCC2)nnc1SCN1C(=O)c2ccccc2C1=O ZINC000792038400 1077688312 /nfs/dbraw/zinc/68/83/12/1077688312.db2.gz KCKXUYIEBCTWAA-UHFFFAOYSA-N 0 3 411.531 2.838 20 30 HFEDHN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792107190 1077699941 /nfs/dbraw/zinc/69/99/41/1077699941.db2.gz CCAZDRMWIYXQMN-RCDICMHDSA-N 0 3 405.458 2.697 20 30 HFEDHN C#CCn1ccc(CN(CC)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)n1 ZINC000792279103 1077773363 /nfs/dbraw/zinc/77/33/63/1077773363.db2.gz RHQYJNZNPSWWAB-UHFFFAOYSA-N 0 3 411.472 2.853 20 30 HFEDHN CCc1nc(C2CCN(Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)n[nH]1 ZINC000792397540 1077834101 /nfs/dbraw/zinc/83/41/01/1077834101.db2.gz LZVFZDHZAUGTJZ-INIZCTEOSA-N 0 3 401.474 2.784 20 30 HFEDHN CCc1n[nH]c(C2CCN(Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)n1 ZINC000792397540 1077834110 /nfs/dbraw/zinc/83/41/10/1077834110.db2.gz LZVFZDHZAUGTJZ-INIZCTEOSA-N 0 3 401.474 2.784 20 30 HFEDHN CC(C)Oc1ccc([C@H](CNC(=O)NCCNc2ccc(C#N)cn2)N(C)C)cc1 ZINC000806412911 1079661009 /nfs/dbraw/zinc/66/10/09/1079661009.db2.gz WAMIMDVUGZEGEF-FQEVSTJZSA-N 0 3 410.522 2.754 20 30 HFEDHN CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000807109184 1080288390 /nfs/dbraw/zinc/28/83/90/1080288390.db2.gz CMSCZIFLYINFAI-ZWKOTPCHSA-N 0 3 407.559 2.653 20 30 HFEDHN CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000807109182 1080288577 /nfs/dbraw/zinc/28/85/77/1080288577.db2.gz CMSCZIFLYINFAI-QZTJIDSGSA-N 0 3 407.559 2.653 20 30 HFEDHN N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)c2)s1 ZINC000807249087 1080405281 /nfs/dbraw/zinc/40/52/81/1080405281.db2.gz LNAJXDMYRMBLMB-IBGZPJMESA-N 0 3 422.554 2.990 20 30 HFEDHN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000807335812 1080536115 /nfs/dbraw/zinc/53/61/15/1080536115.db2.gz ONGGVQQPRRFTDY-OAQYLSRUSA-N 0 3 418.541 2.518 20 30 HFEDHN N#Cc1ccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164982752 722105838 /nfs/dbraw/zinc/10/58/38/722105838.db2.gz ONMFLMKXRFRKSI-SIKLNZKXSA-N 0 3 400.486 2.624 20 30 HFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793127808 1078072456 /nfs/dbraw/zinc/07/24/56/1078072456.db2.gz YGUDSEZZVPDJGB-JKSUJKDBSA-N 0 3 402.859 2.949 20 30 HFEDHN CN(C(=O)c1ccc(NCc2cnc3ccc(C#N)cn23)cc1)[C@H]1CCCN(C)C1 ZINC000793604325 1078221630 /nfs/dbraw/zinc/22/16/30/1078221630.db2.gz FOQJLIKTQFOLEW-FQEVSTJZSA-N 0 3 402.502 2.984 20 30 HFEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000804891061 1078750285 /nfs/dbraw/zinc/75/02/85/1078750285.db2.gz FYXBDGUZCGPWES-INIZCTEOSA-N 0 3 409.452 2.788 20 30 HFEDHN N#Cc1ccc(NCCNC(=O)Nc2ccc(CCN3CCSCC3)cc2)nc1 ZINC000747296680 1079397692 /nfs/dbraw/zinc/39/76/92/1079397692.db2.gz KMFOBRPSISRRNI-UHFFFAOYSA-N 0 3 410.547 2.778 20 30 HFEDHN COc1ccc(CNC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1C#N ZINC000746712810 1076991240 /nfs/dbraw/zinc/99/12/40/1076991240.db2.gz NOIWTWCHRVHQLW-JOCHJYFZSA-N 0 3 421.545 2.745 20 30 HFEDHN C#CCOc1ccccc1CNC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000788530009 1077203802 /nfs/dbraw/zinc/20/38/02/1077203802.db2.gz UYZSWODHYGJQEH-NRFANRHFSA-N 0 3 410.489 2.645 20 30 HFEDHN COc1ccc(CNC(=O)C(C#N)C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000796652991 1077294370 /nfs/dbraw/zinc/29/43/70/1077294370.db2.gz WXFVVLXDRSXIOM-SJLPKXTDSA-N 0 3 415.490 2.666 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)n1 ZINC000788866148 1077324448 /nfs/dbraw/zinc/32/44/48/1077324448.db2.gz CYRBHBMNRKNPRI-QFIPXVFZSA-N 0 3 409.534 2.511 20 30 HFEDHN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)C(C#N)C(=O)NCc2ccc(F)cc2F)C1 ZINC000789432548 1077570116 /nfs/dbraw/zinc/57/01/16/1077570116.db2.gz IMEUTBVHZZODFI-CABCVRRESA-N 0 3 419.428 2.547 20 30 HFEDHN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792100711 1077696402 /nfs/dbraw/zinc/69/64/02/1077696402.db2.gz PUIZYOGQAYKUNA-HUYGQZFBSA-N 0 3 419.485 2.943 20 30 HFEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CC1 ZINC000792953157 1078034091 /nfs/dbraw/zinc/03/40/91/1078034091.db2.gz NAZQONVILKDZSC-FQEVSTJZSA-N 0 3 414.550 2.985 20 30 HFEDHN C=CCN1C(=O)c2ccc(C(=O)N[C@@]3(C)CCN(Cc4ccccc4)C3)cc2C1=O ZINC001130609268 1079628306 /nfs/dbraw/zinc/62/83/06/1079628306.db2.gz DQYYWNKEFGUEEI-DEOSSOPVSA-N 0 3 403.482 2.863 20 30 HFEDHN C#C[C@H](NC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC)c1ccc(Cl)cc1F ZINC000807327989 1080526004 /nfs/dbraw/zinc/52/60/04/1080526004.db2.gz FHFPMPGHKCDRGR-KRWDZBQOSA-N 0 3 417.868 2.979 20 30 HFEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000807465234 1080642575 /nfs/dbraw/zinc/64/25/75/1080642575.db2.gz GWAHEPQWCVFLEU-RBZQAINGSA-N 0 3 405.542 2.803 20 30 HFEDHN C#C[C@@H](NC(=O)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1)C(C)(C)C ZINC000807535933 1080751281 /nfs/dbraw/zinc/75/12/81/1080751281.db2.gz GUTDUKLTVVDKPP-VQTJNVASSA-N 0 3 421.545 2.741 20 30 HFEDHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1 ZINC001164630608 719138864 /nfs/dbraw/zinc/13/88/64/719138864.db2.gz JUOGQOFJLNASQN-INIZCTEOSA-N 0 3 406.820 2.770 20 30 HFEDHN CN(C)Cc1ccnc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)c1 ZINC001164664910 719359114 /nfs/dbraw/zinc/35/91/14/719359114.db2.gz RZRVVHMMXFHUKZ-HSZRJFAPSA-N 0 3 406.534 2.533 20 30 HFEDHN N#Cc1ccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164982751 722105753 /nfs/dbraw/zinc/10/57/53/722105753.db2.gz ONMFLMKXRFRKSI-KNQAVFIVSA-N 0 3 400.486 2.624 20 30 HFEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)Cc2cc(F)c(F)cc2F)cc1 ZINC000793123313 1078071352 /nfs/dbraw/zinc/07/13/52/1078071352.db2.gz GFDGOKBZXZPIBR-CQSZACIVSA-N 0 3 403.360 2.696 20 30 HFEDHN C[C@@H](NC(=O)C(C#N)C(=O)COCc1ccnn1C)c1ccc(Cl)cc1Cl ZINC000793279279 1078126383 /nfs/dbraw/zinc/12/63/83/1078126383.db2.gz IZWYSPOKXLWWQU-ABAIWWIYSA-N 0 3 409.273 2.830 20 30 HFEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000747205329 1078499318 /nfs/dbraw/zinc/49/93/18/1078499318.db2.gz SGHWBOMOXRDVQC-DLBZAZTESA-N 0 3 423.560 2.650 20 30 HFEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CCN(C)C)Cc1ccsc1 ZINC001129585693 1078584092 /nfs/dbraw/zinc/58/40/92/1078584092.db2.gz VYCZRYIUQGLOEO-UHFFFAOYSA-N 0 3 410.547 2.802 20 30 HFEDHN C=CC[C@H](NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1)c1ccncc1 ZINC000805813523 1079286927 /nfs/dbraw/zinc/28/69/27/1079286927.db2.gz GVRCQKAUDZHCEE-IBGZPJMESA-N 0 3 416.591 2.683 20 30 HFEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CO[C@@H](C)c1nccn1C ZINC000805853403 1079303068 /nfs/dbraw/zinc/30/30/68/1079303068.db2.gz ITRNIIDFTDYBBU-QWHCGFSZSA-N 0 3 404.854 2.816 20 30 HFEDHN COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000805929532 1079359208 /nfs/dbraw/zinc/35/92/08/1079359208.db2.gz IJQMCPXVVPUNML-CJNGLKHVSA-N 0 3 412.446 2.653 20 30 HFEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000806170916 1079460979 /nfs/dbraw/zinc/46/09/79/1079460979.db2.gz JYTJUUDIZOJNTQ-NVXWUHKLSA-N 0 3 401.960 2.739 20 30 HFEDHN COc1ccc(CNC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1C#N ZINC000746712811 1076991279 /nfs/dbraw/zinc/99/12/79/1076991279.db2.gz NOIWTWCHRVHQLW-QFIPXVFZSA-N 0 3 421.545 2.745 20 30 HFEDHN N#CC(C(=O)Cc1ccc(I)cc1)C(=O)NC1CCCCC1 ZINC000788082017 1077054246 /nfs/dbraw/zinc/05/42/46/1077054246.db2.gz UZXMHBCTJLWNAR-HNNXBMFYSA-N 0 3 410.255 2.991 20 30 HFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789343775 1077528596 /nfs/dbraw/zinc/52/85/96/1077528596.db2.gz NJRRIJIOXOOYSL-GJZGRUSLSA-N 0 3 413.474 2.990 20 30 HFEDHN N#Cc1cc(F)ccc1N1CCC[C@H](OC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000789475739 1077568553 /nfs/dbraw/zinc/56/85/53/1077568553.db2.gz KAGYZJOICDDOTE-DZKIICNBSA-N 0 3 413.371 2.666 20 30 HFEDHN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000746839896 1077708919 /nfs/dbraw/zinc/70/89/19/1077708919.db2.gz KTTRELUBVCRNTE-QGZVFWFLSA-N 0 3 402.539 2.951 20 30 HFEDHN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000746839895 1077708942 /nfs/dbraw/zinc/70/89/42/1077708942.db2.gz KTTRELUBVCRNTE-KRWDZBQOSA-N 0 3 402.539 2.951 20 30 HFEDHN C#CCN1CCC(C(=O)N[C@@](C)(CC(=O)OC)c2ccc(Br)cc2)CC1 ZINC000789717220 1077754441 /nfs/dbraw/zinc/75/44/41/1077754441.db2.gz RYQFQPSVKLUSTI-FQEVSTJZSA-N 0 3 421.335 2.689 20 30 HFEDHN C#CCN(C(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1)C1CCCC1 ZINC000792292158 1077778290 /nfs/dbraw/zinc/77/82/90/1077778290.db2.gz GWWBKDSCPLCITR-UHFFFAOYSA-N 0 3 410.562 2.868 20 30 HFEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)C(C)C ZINC000792955191 1078034851 /nfs/dbraw/zinc/03/48/51/1078034851.db2.gz SQZQOKGKRRXPIH-OAHLLOKOSA-N 0 3 423.355 2.906 20 30 HFEDHN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000807406477 1080601821 /nfs/dbraw/zinc/60/18/21/1080601821.db2.gz QLIYUBJZEQVLOS-UHFFFAOYSA-N 0 3 418.541 2.818 20 30 HFEDHN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164391355 718826215 /nfs/dbraw/zinc/82/62/15/718826215.db2.gz UQKGJKQEQZAEIL-NVXWUHKLSA-N 0 3 405.836 2.781 20 30 HFEDHN COc1cc(C(F)(F)n2nc(CN(C)C(C)C)c3c2CNCC3)c(C#N)c(Cl)n1 ZINC001164681299 719630059 /nfs/dbraw/zinc/63/00/59/719630059.db2.gz GKLSUPNFRQQISD-UHFFFAOYSA-N 0 3 424.883 2.895 20 30 HFEDHN N#Cc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164750498 720799382 /nfs/dbraw/zinc/79/93/82/720799382.db2.gz VVUAQQKUMXFGFF-IAGOWNOFSA-N 0 3 406.877 2.892 20 30 HFEDHN N#Cc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164750509 720800313 /nfs/dbraw/zinc/80/03/13/720800313.db2.gz VVUAQQKUMXFGFF-SJORKVTESA-N 0 3 406.877 2.892 20 30 HFEDHN N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976532 722100378 /nfs/dbraw/zinc/10/03/78/722100378.db2.gz DVHMIVDJRKCSBU-CRAIPNDOSA-N 0 3 401.873 2.868 20 30 HFEDHN C=CCN1CCC(NC(=O)c2nc(Br)ccc2Br)CC1 ZINC000790596654 1078063772 /nfs/dbraw/zinc/06/37/72/1078063772.db2.gz IAJOFGJAOQIMDV-UHFFFAOYSA-N 0 3 403.118 2.987 20 30 HFEDHN C=CC[C@]1(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634111 1078069497 /nfs/dbraw/zinc/06/94/97/1078069497.db2.gz RAQDBWDFSZBYFP-AUSIDOKSSA-N 0 3 422.614 2.722 20 30 HFEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000747205332 1078499462 /nfs/dbraw/zinc/49/94/62/1078499462.db2.gz SGHWBOMOXRDVQC-SJORKVTESA-N 0 3 423.560 2.650 20 30 HFEDHN CN1CCC2(CCCN(S(=O)(=O)c3cccc(Br)c3C#N)C2)CC1 ZINC000805088024 1078916248 /nfs/dbraw/zinc/91/62/48/1078916248.db2.gz SCDWFPIEJGIWRS-UHFFFAOYSA-N 0 3 412.353 2.817 20 30 HFEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CO[C@@H](C)c1nccn1C ZINC000805853404 1079303044 /nfs/dbraw/zinc/30/30/44/1079303044.db2.gz ITRNIIDFTDYBBU-STQMWFEESA-N 0 3 404.854 2.816 20 30 HFEDHN COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000805929533 1079359153 /nfs/dbraw/zinc/35/91/53/1079359153.db2.gz IJQMCPXVVPUNML-CZUORRHYSA-N 0 3 412.446 2.653 20 30 HFEDHN C#CCN1CCC(C(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000787541560 1076854710 /nfs/dbraw/zinc/85/47/10/1076854710.db2.gz KZJDEOXYPFEYKG-HSZRJFAPSA-N 0 3 404.510 2.975 20 30 HFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnc(Br)c(OC)c2)cc1 ZINC000788350866 1077107519 /nfs/dbraw/zinc/10/75/19/1077107519.db2.gz IOXYJZFADIMNMP-CYBMUJFWSA-N 0 3 404.220 2.822 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)n1 ZINC000788928806 1077339846 /nfs/dbraw/zinc/33/98/46/1077339846.db2.gz LOUVWMCJGNYKFC-HSZRJFAPSA-N 0 3 423.561 2.820 20 30 HFEDHN N#Cc1cc(F)ccc1N1CCC[C@H](OC(=O)C2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000789475741 1077568520 /nfs/dbraw/zinc/56/85/20/1077568520.db2.gz KAGYZJOICDDOTE-OFQRWUPVSA-N 0 3 413.371 2.666 20 30 HFEDHN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)C(C#N)C(=O)NCc2ccc(F)c(F)c2)C1 ZINC000789436103 1077571294 /nfs/dbraw/zinc/57/12/94/1077571294.db2.gz YJROBJUQELUFDM-KBPBESRZSA-N 0 3 419.428 2.547 20 30 HFEDHN N#CC1(c2ccccc2)CCC(N2CCc3nnc(Cn4cccn4)n3CC2)CC1 ZINC001170386432 1077957464 /nfs/dbraw/zinc/95/74/64/1077957464.db2.gz GHAURLMLKKNLBZ-UHFFFAOYSA-N 0 3 401.518 2.785 20 30 HFEDHN CCOC(=O)C1CNCC=C1Nc1c(C#N)cnc2cc(Br)ccc21 ZINC001170516858 1080242710 /nfs/dbraw/zinc/24/27/10/1080242710.db2.gz IGSOQOUJJNWWSL-UHFFFAOYSA-N 0 3 401.264 2.513 20 30 HFEDHN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000807405543 1080600947 /nfs/dbraw/zinc/60/09/47/1080600947.db2.gz DKXDSHXKWXUNEC-UHFFFAOYSA-N 0 3 421.566 2.878 20 30 HFEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc(Br)c1OC ZINC000793121737 1078070800 /nfs/dbraw/zinc/07/08/00/1078070800.db2.gz KCYIUVICXFBGSK-NSHDSACASA-N 0 3 404.220 2.822 20 30 HFEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)Cc2cc(F)c(F)cc2F)cc1 ZINC000793123305 1078071214 /nfs/dbraw/zinc/07/12/14/1078071214.db2.gz GFDGOKBZXZPIBR-AWEZNQCLSA-N 0 3 403.360 2.696 20 30 HFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000793127926 1078072923 /nfs/dbraw/zinc/07/29/23/1078072923.db2.gz ZSZYABXEERAUNF-CYBMUJFWSA-N 0 3 404.419 2.589 20 30 HFEDHN C=CC[C@]1(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000790817386 1078153666 /nfs/dbraw/zinc/15/36/66/1078153666.db2.gz GSNHRBUOFLGILE-JOCHJYFZSA-N 0 3 418.538 2.694 20 30 HFEDHN N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)c2)s1 ZINC000804731428 1078589300 /nfs/dbraw/zinc/58/93/00/1078589300.db2.gz NITVFCJTXHOINY-GOSISDBHSA-N 0 3 408.527 2.503 20 30 HFEDHN C#CCOCCC(=O)OC1CCN(CCOc2cccc(Br)c2)CC1 ZINC000788050010 1077041855 /nfs/dbraw/zinc/04/18/55/1077041855.db2.gz NAWNOWUNYKQVOO-UHFFFAOYSA-N 0 3 410.308 2.875 20 30 HFEDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnc1Br ZINC000788176230 1077067358 /nfs/dbraw/zinc/06/73/58/1077067358.db2.gz CULBBNUCMPCJGM-UHFFFAOYSA-N 0 3 417.307 2.928 20 30 HFEDHN C#CC[C@]1(C(=O)NC2CCN(CCOC(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000788305650 1077092964 /nfs/dbraw/zinc/09/29/64/1077092964.db2.gz OHJOFVDMRFZOOV-HSZRJFAPSA-N 0 3 421.582 2.785 20 30 HFEDHN COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1NCc1ccc(C#N)c(F)c1 ZINC001170089234 1077280287 /nfs/dbraw/zinc/28/02/87/1077280287.db2.gz IGPCUHIKLVNJJA-MRXNPFEDSA-N 0 3 414.481 2.810 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2cccs2)N2CCCC2)n1 ZINC000788850598 1077319185 /nfs/dbraw/zinc/31/91/85/1077319185.db2.gz SJEXKQREHXICTO-IBGZPJMESA-N 0 3 415.563 2.573 20 30 HFEDHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000792319986 1077805129 /nfs/dbraw/zinc/80/51/29/1077805129.db2.gz ALPXKXGIEONCAN-UHFFFAOYSA-N 0 3 409.461 2.897 20 30 HFEDHN C=CCc1ccnc(N(C(=N)N)c2ccc(N3CCOCC3)cc2)c1C(OC)OC ZINC001170165668 1077845368 /nfs/dbraw/zinc/84/53/68/1077845368.db2.gz BUAHHFHQBOYWJO-UHFFFAOYSA-N 0 3 411.506 2.970 20 30 HFEDHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000792994566 1078043189 /nfs/dbraw/zinc/04/31/89/1078043189.db2.gz GRSZYZFPVOZDIU-INIZCTEOSA-N 0 3 422.533 2.580 20 30 HFEDHN C#C[C@@H](NC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1)C(C)(C)C ZINC000807535934 1080751318 /nfs/dbraw/zinc/75/13/18/1080751318.db2.gz GUTDUKLTVVDKPP-WOJBJXKFSA-N 0 3 421.545 2.741 20 30 HFEDHN COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000328606094 569418338 /nfs/dbraw/zinc/41/83/38/569418338.db2.gz QLCSWLWGJHODKV-INIZCTEOSA-N 0 3 409.490 2.994 20 30 HFEDHN N#CC1(c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2)CCOCC1 ZINC001164879482 721132863 /nfs/dbraw/zinc/13/28/63/721132863.db2.gz SQNAFUPPIUSQKP-YADHBBJMSA-N 0 3 419.529 2.528 20 30 HFEDHN N#Cc1ccc(-c2ccncc2)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880920 721137156 /nfs/dbraw/zinc/13/71/56/721137156.db2.gz XOTYTKQOAWVBAS-FGZHOGPDSA-N 0 3 412.497 2.890 20 30 HFEDHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C5(C#N)CCC5)cn4)C3)O2)CC1 ZINC001164883591 721411178 /nfs/dbraw/zinc/41/11/78/721411178.db2.gz BEDWCIDMUODPKY-URXFXBBRSA-N 0 3 409.578 2.792 20 30 HFEDHN N#Cc1cc2c(nc1N1CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C1)CCCC2 ZINC001164983357 722140049 /nfs/dbraw/zinc/14/00/49/722140049.db2.gz UQJWDRMQKXJHST-NZQKXSOJSA-N 0 3 403.530 2.954 20 30 HFEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)c2cc(Cc3ccccc3)[nH]n2)cc1 ZINC000793126472 1078072096 /nfs/dbraw/zinc/07/20/96/1078072096.db2.gz SOFBFFSXLVSHFU-IBGZPJMESA-N 0 3 415.453 2.663 20 30 HFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793127803 1078072371 /nfs/dbraw/zinc/07/23/71/1078072371.db2.gz YGUDSEZZVPDJGB-CVEARBPZSA-N 0 3 402.859 2.949 20 30 HFEDHN COc1ccc(NC(=O)C(C#N)C(=O)C2CCN(c3cnccn3)CC2)cc1Cl ZINC000747109292 1078116278 /nfs/dbraw/zinc/11/62/78/1078116278.db2.gz OHDIMAPVIKLGMU-HNNXBMFYSA-N 0 3 413.865 2.703 20 30 HFEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1CCN(c2cnccn2)CC1 ZINC000747109305 1078116758 /nfs/dbraw/zinc/11/67/58/1078116758.db2.gz OYEHLLNKZWALPW-AWEZNQCLSA-N 0 3 401.829 2.833 20 30 HFEDHN C#CCNc1nc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 ZINC000804552898 1078579598 /nfs/dbraw/zinc/57/95/98/1078579598.db2.gz ILGGSSNICWIIMN-UPGMHYFXSA-N 0 3 412.538 2.656 20 30 HFEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000804891313 1078749833 /nfs/dbraw/zinc/74/98/33/1078749833.db2.gz KRPRBUQTPGCDNX-UHFFFAOYSA-N 0 3 408.527 2.670 20 30 HFEDHN CC(C)(C)OC(=O)[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000746679888 1076800920 /nfs/dbraw/zinc/80/09/20/1076800920.db2.gz QRFWMXFPUKSSKG-CZUORRHYSA-N 0 3 401.488 2.515 20 30 HFEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)nnn1CC1CCCC1 ZINC000789406280 1077562969 /nfs/dbraw/zinc/56/29/69/1077562969.db2.gz SVXIQZZAVJVFOX-MRXNPFEDSA-N 0 3 409.446 2.509 20 30 HFEDHN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC000789436029 1077571203 /nfs/dbraw/zinc/57/12/03/1077571203.db2.gz XOKCIEXUHJAVFW-HZPDHXFCSA-N 0 3 417.893 2.922 20 30 HFEDHN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792107186 1077700054 /nfs/dbraw/zinc/70/00/54/1077700054.db2.gz CCAZDRMWIYXQMN-FPTDNZKUSA-N 0 3 405.458 2.697 20 30 HFEDHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000789739242 1077772984 /nfs/dbraw/zinc/77/29/84/1077772984.db2.gz JSDWKBRMBKYGNN-NQIIRXRSSA-N 0 3 405.506 2.538 20 30 HFEDHN COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1NCc1ccc(C#N)s1 ZINC001170198933 1077912697 /nfs/dbraw/zinc/91/26/97/1077912697.db2.gz DMLGEUPBXRFGFU-AWEZNQCLSA-N 0 3 402.520 2.732 20 30 HFEDHN CN1CCN(CCCOc2ccc(NC(=O)c3ccc(C#N)c(Cl)n3)cc2)CC1 ZINC001130742468 1080006750 /nfs/dbraw/zinc/00/67/50/1080006750.db2.gz YRKAHTFYLRYCEO-UHFFFAOYSA-N 0 3 413.909 2.875 20 30 HFEDHN N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)c2)s1 ZINC000807248181 1080403959 /nfs/dbraw/zinc/40/39/59/1080403959.db2.gz MBQNLCYWTCTCPX-GOSISDBHSA-N 0 3 408.527 2.600 20 30 HFEDHN CCOC(=O)C1=C(Nc2ccc(C(=O)OC)nc2C#N)CCN(Cc2ccccc2)C1 ZINC001170522327 1080539950 /nfs/dbraw/zinc/53/99/50/1080539950.db2.gz JEOZALCTLUNPCM-UHFFFAOYSA-N 0 3 420.469 2.875 20 30 HFEDHN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164391356 718826308 /nfs/dbraw/zinc/82/63/08/718826308.db2.gz UQKGJKQEQZAEIL-RDJZCZTQSA-N 0 3 405.836 2.781 20 30 HFEDHN COC(=O)[C@H]1CNCCN1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC001164630289 719138818 /nfs/dbraw/zinc/13/88/18/719138818.db2.gz INFWHYNZDFQJKH-CYBMUJFWSA-N 0 3 415.227 2.909 20 30 HFEDHN Cc1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164746880 720742063 /nfs/dbraw/zinc/74/20/63/720742063.db2.gz YUORESNZHKTFIQ-UXHICEINSA-N 0 3 407.594 2.751 20 30 HFEDHN COc1cccc(Cl)c1CC(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000790774280 1078130164 /nfs/dbraw/zinc/13/01/64/1078130164.db2.gz UDOPYFPZFUCMLF-INIZCTEOSA-N 0 3 413.861 2.940 20 30 HFEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)cc([N+](=O)[O-])c1C ZINC000791772035 1077547074 /nfs/dbraw/zinc/54/70/74/1077547074.db2.gz UEDPQJYURHHSNN-CQSZACIVSA-N 0 3 413.386 2.890 20 30 HFEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)c2nnn(CC3CCCC3)c2C)cc1 ZINC000789403497 1077561530 /nfs/dbraw/zinc/56/15/30/1077561530.db2.gz LYTQWVZOTYXLEZ-GOSISDBHSA-N 0 3 423.473 2.915 20 30 HFEDHN CC(=O)c1cc(C(=O)C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1C ZINC000789405938 1077562417 /nfs/dbraw/zinc/56/24/17/1077562417.db2.gz PZGRKYWUKWXRFE-HNNXBMFYSA-N 0 3 423.381 2.838 20 30 HFEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1F ZINC000746846274 1077728506 /nfs/dbraw/zinc/72/85/06/1077728506.db2.gz CVPXYEKIGPZBSQ-JZXOWHBKSA-N 0 3 423.554 2.767 20 30 HFEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1F ZINC000746846274 1077728511 /nfs/dbraw/zinc/72/85/11/1077728511.db2.gz CVPXYEKIGPZBSQ-JZXOWHBKSA-N 0 3 423.554 2.767 20 30 HFEDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000792249399 1077764813 /nfs/dbraw/zinc/76/48/13/1077764813.db2.gz IVAOFASGUVDUTA-MRXNPFEDSA-N 0 3 403.527 2.545 20 30 HFEDHN C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H](c1ccccc1)N(C)C ZINC000807110113 1080288998 /nfs/dbraw/zinc/28/89/98/1080288998.db2.gz PZLVGAAUFKCCFW-JCHJZTRSSA-N 0 3 415.538 2.736 20 30 HFEDHN N#Cc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164750494 720800170 /nfs/dbraw/zinc/80/01/70/720800170.db2.gz VVUAQQKUMXFGFF-DLBZAZTESA-N 0 3 406.877 2.892 20 30 HFEDHN Cn1cc(CN2CC[C@H]3CN(c4c(C#N)cnc5cnc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164774300 721087217 /nfs/dbraw/zinc/08/72/17/721087217.db2.gz ZRRFTWLIOMGMSK-RDJZCZTQSA-N 0 3 407.909 2.847 20 30 HFEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000793278620 1078110309 /nfs/dbraw/zinc/11/03/09/1078110309.db2.gz DCTJGMVJYSPUTP-QRVBRYPASA-N 0 3 410.495 2.924 20 30 HFEDHN N#Cc1ccc(O[C@H]2CCN(C(=S)NC3CCN(Cc4ccccc4)CC3)C2)nc1 ZINC000793266490 1078113949 /nfs/dbraw/zinc/11/39/49/1078113949.db2.gz OSHLSFPPACYQHB-NRFANRHFSA-N 0 3 421.570 2.945 20 30 HFEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000804891283 1078749848 /nfs/dbraw/zinc/74/98/48/1078749848.db2.gz JOKSOLFNPHYFRZ-MRXNPFEDSA-N 0 3 409.452 2.788 20 30 HFEDHN COc1ccc(CNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1C#N ZINC000746712110 1077003854 /nfs/dbraw/zinc/00/38/54/1077003854.db2.gz DIRUKWZBJAVXEL-UHFFFAOYSA-N 0 3 421.545 2.574 20 30 HFEDHN O=C1CCC2=C(CCCC2=NNC(=S)NC2CCN(Cc3ccccc3)CC2)N1 ZINC000788015671 1077029275 /nfs/dbraw/zinc/02/92/75/1077029275.db2.gz XNYFYLVJZCBBJX-UHFFFAOYSA-N 0 3 411.575 2.819 20 30 HFEDHN C#CC[C@@]1(C(=O)NC2CCN(CCOC(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000788305651 1077093079 /nfs/dbraw/zinc/09/30/79/1077093079.db2.gz OHJOFVDMRFZOOV-QHCPKHFHSA-N 0 3 421.582 2.785 20 30 HFEDHN Cc1cc([C@H](CC(=O)C(C#N)C(=O)NC2CC2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC000788351884 1077122914 /nfs/dbraw/zinc/12/29/14/1077122914.db2.gz OVCQMOKHPGBGRL-GJZGRUSLSA-N 0 3 420.897 2.987 20 30 HFEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000747020962 1077468974 /nfs/dbraw/zinc/46/89/74/1077468974.db2.gz LALKEZDBLZAVRS-ZBTAVZRMSA-N 0 3 402.454 2.681 20 30 HFEDHN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792102453 1077697404 /nfs/dbraw/zinc/69/74/04/1077697404.db2.gz XLTYSZCCOBYLEL-RPHLEKHZSA-N 0 3 405.458 2.553 20 30 HFEDHN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792102457 1077697418 /nfs/dbraw/zinc/69/74/18/1077697418.db2.gz XLTYSZCCOBYLEL-YSOBRWQISA-N 0 3 405.458 2.553 20 30 HFEDHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)CC1 ZINC000789749075 1077781035 /nfs/dbraw/zinc/78/10/35/1077781035.db2.gz JXUUGLALAUDEDY-UHFFFAOYSA-N 0 3 422.533 2.834 20 30 HFEDHN COc1ccc(CNC(=O)C(C#N)C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000796652988 1077854856 /nfs/dbraw/zinc/85/48/56/1077854856.db2.gz WXFVVLXDRSXIOM-FUHWJXTLSA-N 0 3 415.490 2.666 20 30 HFEDHN COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1NCc1ccc(C#N)s1 ZINC001170198934 1077912723 /nfs/dbraw/zinc/91/27/23/1077912723.db2.gz DMLGEUPBXRFGFU-CQSZACIVSA-N 0 3 402.520 2.732 20 30 HFEDHN C=CCN1CCC(NC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000792987515 1078041464 /nfs/dbraw/zinc/04/14/64/1078041464.db2.gz CBTRDEZKSSCKRW-QFIPXVFZSA-N 0 3 400.523 2.737 20 30 HFEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000807465241 1080642368 /nfs/dbraw/zinc/64/23/68/1080642368.db2.gz GWAHEPQWCVFLEU-WXFUMESZSA-N 0 3 405.542 2.803 20 30 HFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000793127929 1078072972 /nfs/dbraw/zinc/07/29/72/1078072972.db2.gz ZSZYABXEERAUNF-ZDUSSCGKSA-N 0 3 404.419 2.589 20 30 HFEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc(Br)c1OC ZINC000793121736 1078070432 /nfs/dbraw/zinc/07/04/32/1078070432.db2.gz KCYIUVICXFBGSK-LLVKDONJSA-N 0 3 404.220 2.822 20 30 HFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793127804 1078072386 /nfs/dbraw/zinc/07/23/86/1078072386.db2.gz YGUDSEZZVPDJGB-HOTGVXAUSA-N 0 3 402.859 2.949 20 30 HFEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793127396 1078072730 /nfs/dbraw/zinc/07/27/30/1078072730.db2.gz WSJFNCVBTTUQTA-KGLIPLIRSA-N 0 3 402.859 2.949 20 30 HFEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793127391 1078072753 /nfs/dbraw/zinc/07/27/53/1078072753.db2.gz WSJFNCVBTTUQTA-KBPBESRZSA-N 0 3 402.859 2.949 20 30 HFEDHN C[C@@H](NC(=O)C(C#N)C(=O)COCc1ccnn1C)c1ccc(Cl)cc1Cl ZINC000793279281 1078126341 /nfs/dbraw/zinc/12/63/41/1078126341.db2.gz IZWYSPOKXLWWQU-IAQYHMDHSA-N 0 3 409.273 2.830 20 30 HFEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnc(Br)c(OC)c1 ZINC000788352247 1077123573 /nfs/dbraw/zinc/12/35/73/1077123573.db2.gz RQAXNSPWLRTIGN-LLVKDONJSA-N 0 3 404.220 2.822 20 30 HFEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC([C@@H](O)c3ncc[nH]3)CC1)CCCC2 ZINC000788473862 1077171420 /nfs/dbraw/zinc/17/14/20/1077171420.db2.gz XCSCUAIGKDEDTI-LJQANCHMSA-N 0 3 413.547 2.996 20 30 HFEDHN COc1cccc(C2=NO[C@H](C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)C2)c1 ZINC000791590065 1077494130 /nfs/dbraw/zinc/49/41/30/1077494130.db2.gz JSQQHXJJHVBRGD-QFIPXVFZSA-N 0 3 406.486 2.650 20 30 HFEDHN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)C(C#N)C(=O)NCc2ccc(F)cc2F)C1 ZINC000789432552 1077570140 /nfs/dbraw/zinc/57/01/40/1077570140.db2.gz IMEUTBVHZZODFI-HUUCEWRRSA-N 0 3 419.428 2.547 20 30 HFEDHN C#CCN1CCC(C(=O)NCc2nc3cc(Br)ccc3n2CC)CC1 ZINC000791957172 1077630612 /nfs/dbraw/zinc/63/06/12/1077630612.db2.gz FRDRLWORJSJZSC-UHFFFAOYSA-N 0 3 403.324 2.780 20 30 HFEDHN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)C(C#N)c3cnc4ccccc4n3)C2=O)cc1 ZINC000792111119 1077701488 /nfs/dbraw/zinc/70/14/88/1077701488.db2.gz WPAHKFDXCFIGGG-HJPURHCSSA-N 0 3 413.437 2.582 20 30 HFEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ccc1F ZINC000746846278 1077728614 /nfs/dbraw/zinc/72/86/14/1077728614.db2.gz CVPXYEKIGPZBSQ-NUJGCVRESA-N 0 3 423.554 2.767 20 30 HFEDHN CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccco1 ZINC000807109296 1080288532 /nfs/dbraw/zinc/28/85/32/1080288532.db2.gz FNBWNSWLUMVHJH-NXOAAHMSSA-N 0 3 419.526 2.767 20 30 HFEDHN CNC(=O)CN1CCCC12CCN(c1ccc([C@@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164685184 719699282 /nfs/dbraw/zinc/69/92/82/719699282.db2.gz RWXZCWOPYJVMFE-FQEVSTJZSA-N 0 3 418.545 2.621 20 30 HFEDHN C=C(C)CN1CCC(NC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)CC1 ZINC000793446805 1078173610 /nfs/dbraw/zinc/17/36/10/1078173610.db2.gz XJZQQRKYXLVQGL-UHFFFAOYSA-N 0 3 408.568 2.981 20 30 HFEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000804418600 1078468954 /nfs/dbraw/zinc/46/89/54/1078468954.db2.gz QSOUYWJARSWWHE-SFHVURJKSA-N 0 3 410.543 2.894 20 30 HFEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000804945658 1078773689 /nfs/dbraw/zinc/77/36/89/1078773689.db2.gz MTZQSYGHOUAVKL-DEOSSOPVSA-N 0 3 404.558 2.868 20 30 HFEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1C ZINC000747230383 1078947598 /nfs/dbraw/zinc/94/75/98/1078947598.db2.gz RFANTDPGSQBCQI-VQTJNVASSA-N 0 3 407.518 2.674 20 30 HFEDHN CC(C)(C)OC(=O)[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000746679869 1076800992 /nfs/dbraw/zinc/80/09/92/1076800992.db2.gz QRFWMXFPUKSSKG-BBRMVZONSA-N 0 3 401.488 2.515 20 30 HFEDHN CCN1CCN(Cc2ccccc2CNC(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC000746712801 1076990943 /nfs/dbraw/zinc/99/09/43/1076990943.db2.gz MUZPADTUGAHLHP-UHFFFAOYSA-N 0 3 421.545 2.704 20 30 HFEDHN CCN1CCN(Cc2ccc(CNC(=O)NCc3ccc(OC)c(C#N)c3)cc2)CC1 ZINC000746712892 1076992118 /nfs/dbraw/zinc/99/21/18/1076992118.db2.gz OYFFPCZKPWAEIN-UHFFFAOYSA-N 0 3 421.545 2.704 20 30 HFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791328104 1077375270 /nfs/dbraw/zinc/37/52/70/1077375270.db2.gz YTOKPZRPBTXFAX-UHFFFAOYSA-N 0 3 413.453 2.876 20 30 HFEDHN COCc1nc2sc(C(=O)C(C#N)C(=O)Nc3ccccn3)c(C)c2c(OC)n1 ZINC000747020379 1077461198 /nfs/dbraw/zinc/46/11/98/1077461198.db2.gz BWECPHQVJDZJSA-LLVKDONJSA-N 0 3 411.443 2.511 20 30 HFEDHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000789377931 1077546148 /nfs/dbraw/zinc/54/61/48/1077546148.db2.gz MPOAYOQLSOTXCE-UHFFFAOYSA-N 0 3 409.534 2.686 20 30 HFEDHN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)C(C#N)C(=O)NCc2ccc(F)cc2F)C1 ZINC000789432550 1077570178 /nfs/dbraw/zinc/57/01/78/1077570178.db2.gz IMEUTBVHZZODFI-GJZGRUSLSA-N 0 3 419.428 2.547 20 30 HFEDHN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)C(C#N)c3cnc4ccccc4n3)cc12 ZINC000792108299 1077700303 /nfs/dbraw/zinc/70/03/03/1077700303.db2.gz LNPCNTZDEBJHSX-OCCSQVGLSA-N 0 3 418.482 2.881 20 30 HFEDHN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)C(C#N)c3cnc4ccccc4n3)C2=O)cc1 ZINC000792111120 1077701588 /nfs/dbraw/zinc/70/15/88/1077701588.db2.gz WPAHKFDXCFIGGG-MWTRTKDXSA-N 0 3 413.437 2.582 20 30 HFEDHN N#CC(C(=O)Cc1cc2c(cc1Br)OCCO2)C(=O)NC1CCCCC1 ZINC000789800642 1077805178 /nfs/dbraw/zinc/80/51/78/1077805178.db2.gz XJJLJFKCPKJXAF-AWEZNQCLSA-N 0 3 421.291 2.921 20 30 HFEDHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000792397482 1077834402 /nfs/dbraw/zinc/83/44/02/1077834402.db2.gz LGZDBBNZEGOLLM-KRWDZBQOSA-N 0 3 424.501 2.515 20 30 HFEDHN C=CCN(CC=C)CCN1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355016 1077948944 /nfs/dbraw/zinc/94/89/44/1077948944.db2.gz UQJOVLRGEZAJJP-IBGZPJMESA-N 0 3 402.539 2.826 20 30 HFEDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001170366539 1077951143 /nfs/dbraw/zinc/95/11/43/1077951143.db2.gz YXHNUYXODZFJMT-HKBOAZHASA-N 0 3 415.534 2.986 20 30 HFEDHN CCN1CCN(c2ccc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)cc2)CC1 ZINC000792841260 1078012682 /nfs/dbraw/zinc/01/26/82/1078012682.db2.gz LYEBHPLFFBRMFV-UHFFFAOYSA-N 0 3 422.533 2.852 20 30 HFEDHN N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)c2)s1 ZINC000807248182 1080404006 /nfs/dbraw/zinc/40/40/06/1080404006.db2.gz MBQNLCYWTCTCPX-SFHVURJKSA-N 0 3 408.527 2.600 20 30 HFEDHN C#CCN1CCC(C(=O)NCc2cc(Cl)ccc2I)CC1 ZINC001130907875 1080500639 /nfs/dbraw/zinc/50/06/39/1080500639.db2.gz UZOYMBWEFFKUAI-UHFFFAOYSA-N 0 3 416.690 2.906 20 30 HFEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000807336146 1080535207 /nfs/dbraw/zinc/53/52/07/1080535207.db2.gz WWJPGPRCLXCACG-QFIPXVFZSA-N 0 3 418.541 2.518 20 30 HFEDHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1 ZINC001164629406 719138395 /nfs/dbraw/zinc/13/83/95/719138395.db2.gz AQVZOJLIQAANMS-MRXNPFEDSA-N 0 3 406.820 2.770 20 30 HFEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793127397 1078072644 /nfs/dbraw/zinc/07/26/44/1078072644.db2.gz WSJFNCVBTTUQTA-UONOGXRCSA-N 0 3 402.859 2.949 20 30 HFEDHN C=CC[C@]1(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790771981 1078129481 /nfs/dbraw/zinc/12/94/81/1078129481.db2.gz JBMHMXUSFDJDTO-PGRDOPGGSA-N 0 3 407.555 2.702 20 30 HFEDHN Cn1c(C#N)ccc1C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129497201 1078517730 /nfs/dbraw/zinc/51/77/30/1078517730.db2.gz AHNCNBYJTRGYTA-UHFFFAOYSA-N 0 3 411.937 2.977 20 30 HFEDHN C=CC[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)c1ccncc1 ZINC000805812922 1079287446 /nfs/dbraw/zinc/28/74/46/1079287446.db2.gz BGLMEUJBFPAPCI-HXUWFJFHSA-N 0 3 416.472 2.684 20 30 HFEDHN C=CCN1CCC(NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787330599 1076742927 /nfs/dbraw/zinc/74/29/27/1076742927.db2.gz ZUFKKVBKAZPQHL-HNNXBMFYSA-N 0 3 403.527 2.514 20 30 HFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCc2nc(C)sc21)C(C)C ZINC000788444374 1077162052 /nfs/dbraw/zinc/16/20/52/1077162052.db2.gz QEPMGFXIGDODHR-ROUUACIJSA-N 0 3 404.580 2.760 20 30 HFEDHN COC(=O)CCCN1CCC(=NNCc2cc(OC)ccc2Br)CC1 ZINC000788731554 1077284604 /nfs/dbraw/zinc/28/46/04/1077284604.db2.gz OOSCVACIIFETIF-UHFFFAOYSA-N 0 3 412.328 2.952 20 30 HFEDHN C#CCn1ccc(CN(CC)C(=O)NCCCCN2CCN(c3ccccc3)CC2)n1 ZINC000788879591 1077327742 /nfs/dbraw/zinc/32/77/42/1077327742.db2.gz CHZHKAWYCUDHFR-UHFFFAOYSA-N 0 3 422.577 2.650 20 30 HFEDHN CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)ccc1OC ZINC000790020577 1077916059 /nfs/dbraw/zinc/91/60/59/1077916059.db2.gz YFNUVSYECANUBH-SFHVURJKSA-N 0 3 417.531 2.916 20 30 HFEDHN CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(c3ccncc3OC)CC2)c1 ZINC000792940348 1078022151 /nfs/dbraw/zinc/02/21/51/1078022151.db2.gz QPAKSBHSTVFDPA-SFHVURJKSA-N 0 3 409.490 2.803 20 30 HFEDHN N#CCOc1ccc(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC001130733000 1079971020 /nfs/dbraw/zinc/97/10/20/1079971020.db2.gz HHNRATBFZBNPBJ-DHIUTWEWSA-N 0 3 405.498 2.633 20 30 HFEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC001130742376 1080006210 /nfs/dbraw/zinc/00/62/10/1080006210.db2.gz UKAHNFMYWWCBLX-LJQANCHMSA-N 0 3 422.529 2.981 20 30 HFEDHN CN1CCN(CCCOc2ccc(NC(=O)c3ncc(C#N)cc3Cl)cc2)CC1 ZINC001130742465 1080006792 /nfs/dbraw/zinc/00/67/92/1080006792.db2.gz YJLXPDRBWLRYDQ-UHFFFAOYSA-N 0 3 413.909 2.875 20 30 HFEDHN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164390109 718826271 /nfs/dbraw/zinc/82/62/71/718826271.db2.gz MMDOEWGUJIFFIR-WBVHZDCISA-N 0 3 405.836 2.781 20 30 HFEDHN N#CC1(c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2)CCOCC1 ZINC001164879479 721131660 /nfs/dbraw/zinc/13/16/60/721131660.db2.gz SQNAFUPPIUSQKP-FCHUYYIVSA-N 0 3 419.529 2.528 20 30 HFEDHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164886129 721404089 /nfs/dbraw/zinc/40/40/89/721404089.db2.gz HVESEXSGDFFCFK-URXFXBBRSA-N 0 3 405.546 2.872 20 30 HFEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000747205330 1078499344 /nfs/dbraw/zinc/49/93/44/1078499344.db2.gz SGHWBOMOXRDVQC-IAGOWNOFSA-N 0 3 423.560 2.650 20 30 HFEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000747205331 1078499416 /nfs/dbraw/zinc/49/94/16/1078499416.db2.gz SGHWBOMOXRDVQC-IRXDYDNUSA-N 0 3 423.560 2.650 20 30 HFEDHN C=CC[C@H](NC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000805810139 1079285578 /nfs/dbraw/zinc/28/55/78/1079285578.db2.gz AGNAYPGMYFYDJV-UWJYYQICSA-N 0 3 407.518 2.552 20 30 HFEDHN COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000805929531 1079359184 /nfs/dbraw/zinc/35/91/84/1079359184.db2.gz IJQMCPXVVPUNML-BBRMVZONSA-N 0 3 412.446 2.653 20 30 HFEDHN N#CCOc1cccc(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC001130528513 1079465047 /nfs/dbraw/zinc/46/50/47/1079465047.db2.gz NQTBZKGNSFLKNH-GOTSBHOMSA-N 0 3 405.498 2.633 20 30 HFEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000787751534 1076926281 /nfs/dbraw/zinc/92/62/81/1076926281.db2.gz MOZFCMKUBYIVEC-MRXNPFEDSA-N 0 3 410.543 2.894 20 30 HFEDHN Cc1cc([C@@H](CC(=O)C(C#N)C(=O)NC2CC2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC000788351888 1077122867 /nfs/dbraw/zinc/12/28/67/1077122867.db2.gz OVCQMOKHPGBGRL-HUUCEWRRSA-N 0 3 420.897 2.987 20 30 HFEDHN COCCN1CCO[C@H]2CN(C3CCC(C#N)(c4ccccc4)CC3)CC[C@H]2C1=O ZINC001170381235 1077963567 /nfs/dbraw/zinc/96/35/67/1077963567.db2.gz KLVHXEZYLPIKDU-NLMCKWEYSA-N 0 3 411.546 2.586 20 30 HFEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)C(C)C ZINC000792955743 1078034702 /nfs/dbraw/zinc/03/47/02/1078034702.db2.gz XXKZXTBUHXAIDB-CQSZACIVSA-N 0 3 409.328 2.597 20 30 HFEDHN CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccco1 ZINC000807109294 1080288371 /nfs/dbraw/zinc/28/83/71/1080288371.db2.gz FNBWNSWLUMVHJH-HZMVEIRTSA-N 0 3 419.526 2.767 20 30 HFEDHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1 ZINC001164630609 719138433 /nfs/dbraw/zinc/13/84/33/719138433.db2.gz JUOGQOFJLNASQN-MRXNPFEDSA-N 0 3 406.820 2.770 20 30 HFEDHN CNC(=O)CN1CCCC12CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)CC2 ZINC001164683041 719700220 /nfs/dbraw/zinc/70/02/20/719700220.db2.gz HWQCPIYEROTNOE-UHFFFAOYSA-N 0 3 407.493 2.940 20 30 HFEDHN Cc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164746883 720741761 /nfs/dbraw/zinc/74/17/61/720741761.db2.gz YUORESNZHKTFIQ-WOJBJXKFSA-N 0 3 407.594 2.751 20 30 HFEDHN Cn1cc(CN2CC[C@@H]3CN(c4c(C#N)cnc5cnc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164774301 721088069 /nfs/dbraw/zinc/08/80/69/721088069.db2.gz ZRRFTWLIOMGMSK-WBVHZDCISA-N 0 3 407.909 2.847 20 30 HFEDHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164886113 721404166 /nfs/dbraw/zinc/40/41/66/721404166.db2.gz HVESEXSGDFFCFK-QPPBQGQZSA-N 0 3 405.546 2.872 20 30 HFEDHN N#Cc1cc(F)c(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976537 722100071 /nfs/dbraw/zinc/10/00/71/722100071.db2.gz DVHMIVDJRKCSBU-MAUKXSAKSA-N 0 3 401.873 2.868 20 30 HFEDHN N#Cc1ccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164982753 722105707 /nfs/dbraw/zinc/10/57/07/722105707.db2.gz ONMFLMKXRFRKSI-UGKGYDQZSA-N 0 3 400.486 2.624 20 30 HFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000793123495 1078071371 /nfs/dbraw/zinc/07/13/71/1078071371.db2.gz IDFHPSATHMECOX-MRXNPFEDSA-N 0 3 421.457 2.817 20 30 HFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1Cl ZINC000793126686 1078072136 /nfs/dbraw/zinc/07/21/36/1078072136.db2.gz VEPSASPMBFFDJN-GFCCVEGCSA-N 0 3 424.837 2.852 20 30 HFEDHN C#CCNc1nc(N[C@H](C)Cc2ccncc2)nc(N[C@@H](C)Cc2ccncc2)n1 ZINC000804534013 1078571352 /nfs/dbraw/zinc/57/13/52/1078571352.db2.gz CVCRVJSMRSGRFB-CALCHBBNSA-N 0 3 402.506 2.793 20 30 HFEDHN C=CC[C@H](NC(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC)c1ccncc1 ZINC000805808930 1079284787 /nfs/dbraw/zinc/28/47/87/1079284787.db2.gz KNBCYDDCDSSTOI-VXKWHMMOSA-N 0 3 421.545 2.723 20 30 HFEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CO[C@H](C)c1nccn1C ZINC000805853402 1079303155 /nfs/dbraw/zinc/30/31/55/1079303155.db2.gz ITRNIIDFTDYBBU-OLZOCXBDSA-N 0 3 404.854 2.816 20 30 HFEDHN N#CCOc1cccc(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC001130528517 1079464990 /nfs/dbraw/zinc/46/49/90/1079464990.db2.gz NQTBZKGNSFLKNH-XZOQPEGZSA-N 0 3 405.498 2.633 20 30 HFEDHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000787667444 1076904036 /nfs/dbraw/zinc/90/40/36/1076904036.db2.gz CDUPNBHRNNTLEQ-MRXNPFEDSA-N 0 3 410.543 2.751 20 30 HFEDHN N#CC(C(=O)Cc1ccccc1I)C(=O)Nc1ccccn1 ZINC000788081020 1077054232 /nfs/dbraw/zinc/05/42/32/1077054232.db2.gz IIUXQSHUVRUWLV-LBPRGKRZSA-N 0 3 405.195 2.576 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC000788844332 1077317861 /nfs/dbraw/zinc/31/78/61/1077317861.db2.gz RECSZLBMNUKNRV-JOCHJYFZSA-N 0 3 409.534 2.511 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC000788844333 1077317901 /nfs/dbraw/zinc/31/79/01/1077317901.db2.gz RECSZLBMNUKNRV-QFIPXVFZSA-N 0 3 409.534 2.511 20 30 HFEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000747020960 1077469112 /nfs/dbraw/zinc/46/91/12/1077469112.db2.gz LALKEZDBLZAVRS-VJIACCKLSA-N 0 3 402.454 2.681 20 30 HFEDHN COc1cccc(C2=NO[C@@H](C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)C2)c1 ZINC000791590062 1077494106 /nfs/dbraw/zinc/49/41/06/1077494106.db2.gz JSQQHXJJHVBRGD-JOCHJYFZSA-N 0 3 406.486 2.650 20 30 HFEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCN(c2cnccn2)CC1 ZINC000789366557 1077540475 /nfs/dbraw/zinc/54/04/75/1077540475.db2.gz PPGAGAPIPXRGEI-MRXNPFEDSA-N 0 3 406.515 2.863 20 30 HFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cn(-c3cc(C)cc(F)c3)nn2)cc1OC ZINC000789403874 1077561449 /nfs/dbraw/zinc/56/14/49/1077561449.db2.gz OQWZGUVBPULPHV-INIZCTEOSA-N 0 3 423.404 2.693 20 30 HFEDHN Cc1ccc(S(=O)(=O)N(C)CC(=O)C(C#N)c2cnc3ccccc3n2)cc1C ZINC000792108458 1077699966 /nfs/dbraw/zinc/69/99/66/1077699966.db2.gz MJMULVOKGTVBBK-KRWDZBQOSA-N 0 3 408.483 2.744 20 30 HFEDHN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000746835267 1077706809 /nfs/dbraw/zinc/70/68/09/1077706809.db2.gz WMFFBZAQQKNWGW-QGZVFWFLSA-N 0 3 402.539 2.951 20 30 HFEDHN OC1(c2ccccc2)CCN(CC#CCN2CCC(O)(c3ccccc3)CC2)CC1 ZINC000792878258 1078015776 /nfs/dbraw/zinc/01/57/76/1078015776.db2.gz TXKCWUMLCVABCP-UHFFFAOYSA-N 0 3 404.554 2.957 20 30 HFEDHN CCN1CCN(c2ccc(NC(=O)COC(=O)/C=C\c3ccccc3C#N)cc2)CC1 ZINC000806318055 1079571136 /nfs/dbraw/zinc/57/11/36/1079571136.db2.gz RDAZCVPPDYSZJO-GHXNOFRVSA-N 0 3 418.497 2.895 20 30 HFEDHN CC(C)Oc1ccc([C@@H](CNC(=O)NCCNc2ncccc2C#N)N(C)C)cc1 ZINC000806535529 1079809440 /nfs/dbraw/zinc/80/94/40/1079809440.db2.gz VKBYOXPMYZWPNE-HXUWFJFHSA-N 0 3 410.522 2.754 20 30 HFEDHN COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000328606095 569418325 /nfs/dbraw/zinc/41/83/25/569418325.db2.gz QLCSWLWGJHODKV-MRXNPFEDSA-N 0 3 409.490 2.994 20 30 HFEDHN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164390106 718826033 /nfs/dbraw/zinc/82/60/33/718826033.db2.gz MMDOEWGUJIFFIR-DOTOQJQBSA-N 0 3 405.836 2.781 20 30 HFEDHN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164391357 718826577 /nfs/dbraw/zinc/82/65/77/718826577.db2.gz UQKGJKQEQZAEIL-WBVHZDCISA-N 0 3 405.836 2.781 20 30 HFEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793127399 1078072661 /nfs/dbraw/zinc/07/26/61/1078072661.db2.gz WSJFNCVBTTUQTA-ZIAGYGMSSA-N 0 3 402.859 2.949 20 30 HFEDHN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000747122453 1078177414 /nfs/dbraw/zinc/17/74/14/1078177414.db2.gz MIIZGHLDGYZDKZ-UHFFFAOYSA-N 0 3 418.541 2.909 20 30 HFEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000804453305 1078491099 /nfs/dbraw/zinc/49/10/99/1078491099.db2.gz DKAFOTIKJGZPAS-NRFANRHFSA-N 0 3 413.525 2.928 20 30 HFEDHN N#Cc1cc(Br)ccc1COC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000805390083 1079035593 /nfs/dbraw/zinc/03/55/93/1079035593.db2.gz DNTJFHJUKWTBSZ-VXGBXAGGSA-N 0 3 405.170 2.821 20 30 HFEDHN C=CC[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)c1ccncc1 ZINC000805812921 1079287810 /nfs/dbraw/zinc/28/78/10/1079287810.db2.gz BGLMEUJBFPAPCI-FQEVSTJZSA-N 0 3 416.472 2.684 20 30 HFEDHN COc1ccc(CNC(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1C#N ZINC000746715047 1077002136 /nfs/dbraw/zinc/00/21/36/1077002136.db2.gz VKCJVRWETFLSLR-UHFFFAOYSA-N 0 3 421.545 2.968 20 30 HFEDHN COc1ccc(CNC(=O)C(C#N)C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000796652994 1077294532 /nfs/dbraw/zinc/29/45/32/1077294532.db2.gz WXFVVLXDRSXIOM-WMZOPIPTSA-N 0 3 415.490 2.666 20 30 HFEDHN C#CCN1CCC(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CC1 ZINC000791115907 1077301875 /nfs/dbraw/zinc/30/18/75/1077301875.db2.gz ZGNCXVJRSXTLAA-UHFFFAOYSA-N 0 3 418.335 2.969 20 30 HFEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc([N+](=O)[O-])c1C ZINC000791772402 1077547084 /nfs/dbraw/zinc/54/70/84/1077547084.db2.gz AOIIDEXMKCJVDC-MRXNPFEDSA-N 0 3 424.413 2.575 20 30 HFEDHN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)C(C#N)C(=O)NCc2ccc(F)c(F)c2)C1 ZINC000789436105 1077571213 /nfs/dbraw/zinc/57/12/13/1077571213.db2.gz YJROBJUQELUFDM-KGLIPLIRSA-N 0 3 419.428 2.547 20 30 HFEDHN C#CCN1CCC(C(=O)N[C@](C)(CC(=O)OC)c2ccc(Br)cc2)CC1 ZINC000789717221 1077754800 /nfs/dbraw/zinc/75/48/00/1077754800.db2.gz RYQFQPSVKLUSTI-HXUWFJFHSA-N 0 3 421.335 2.689 20 30 HFEDHN C#CCN1CCC(C(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC001130986930 1080815501 /nfs/dbraw/zinc/81/55/01/1080815501.db2.gz NFIOLOMUOKKPSX-QHCPKHFHSA-N 0 3 401.510 2.845 20 30 HFEDHN N#Cc1ccc(-c2ccncc2)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880921 721136200 /nfs/dbraw/zinc/13/62/00/721136200.db2.gz XOTYTKQOAWVBAS-VXKWHMMOSA-N 0 3 412.497 2.890 20 30 HFEDHN N#Cc1cc2c(nc1N1CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C1)CCCC2 ZINC001164983359 722139949 /nfs/dbraw/zinc/13/99/49/722139949.db2.gz UQJWDRMQKXJHST-OFNKIYASSA-N 0 3 403.530 2.954 20 30 HFEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)Cc2cc(F)c(F)cc2F)cc1OC ZINC000793127848 1078072357 /nfs/dbraw/zinc/07/23/57/1078072357.db2.gz ZBWMVDBNYPIQAS-AWEZNQCLSA-N 0 3 420.387 2.731 20 30 HFEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)cc1 ZINC000747106314 1078098879 /nfs/dbraw/zinc/09/88/79/1078098879.db2.gz PVWKPSNGPRIGRY-QGZVFWFLSA-N 0 3 415.490 2.858 20 30 HFEDHN CC1CCN([C@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)c2ccccc2)CC1 ZINC000793782885 1078293265 /nfs/dbraw/zinc/29/32/65/1078293265.db2.gz GSROXCZCXOIMSS-JOCHJYFZSA-N 0 3 422.504 2.903 20 30 HFEDHN C=CCN1CCC(NC(=O)C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CC1 ZINC000804890542 1078748496 /nfs/dbraw/zinc/74/84/96/1078748496.db2.gz RWOXNTLZRTUKKC-UHFFFAOYSA-N 0 3 424.545 2.641 20 30 HFEDHN C=CC[C@H](NC(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC)c1ccncc1 ZINC000805808932 1079284700 /nfs/dbraw/zinc/28/47/00/1079284700.db2.gz KNBCYDDCDSSTOI-YADHBBJMSA-N 0 3 421.545 2.723 20 30 HFEDHN C=CC[C@@H](NC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000805810137 1079285093 /nfs/dbraw/zinc/28/50/93/1079285093.db2.gz AGNAYPGMYFYDJV-LAUBAEHRSA-N 0 3 407.518 2.552 20 30 HFEDHN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)C(C#N)C(=O)NCc2ccc(F)cc2F)C1 ZINC000789432554 1077570232 /nfs/dbraw/zinc/57/02/32/1077570232.db2.gz IMEUTBVHZZODFI-LSDHHAIUSA-N 0 3 419.428 2.547 20 30 HFEDHN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)C(C#N)c3cnc4ccccc4n3)cc12 ZINC000792108290 1077700261 /nfs/dbraw/zinc/70/02/61/1077700261.db2.gz LNPCNTZDEBJHSX-GXTWGEPZSA-N 0 3 418.482 2.881 20 30 HFEDHN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)C(C#N)c3cnc4ccccc4n3)cc12 ZINC000792108295 1077700377 /nfs/dbraw/zinc/70/03/77/1077700377.db2.gz LNPCNTZDEBJHSX-JSGCOSHPSA-N 0 3 418.482 2.881 20 30 HFEDHN C#CCOc1ccccc1NC(=O)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792399976 1077835322 /nfs/dbraw/zinc/83/53/22/1077835322.db2.gz UETNRIFXZDGSRG-UHFFFAOYSA-N 0 3 423.435 2.559 20 30 HFEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)CC1 ZINC000790303020 1077999470 /nfs/dbraw/zinc/99/94/70/1077999470.db2.gz PMHQPQIBQRSNLH-QFIPXVFZSA-N 0 3 411.550 2.799 20 30 HFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)C(C)C ZINC000792955188 1078034835 /nfs/dbraw/zinc/03/48/35/1078034835.db2.gz SQZQOKGKRRXPIH-HNNXBMFYSA-N 0 3 423.355 2.906 20 30 HFEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001130609961 1079629351 /nfs/dbraw/zinc/62/93/51/1079629351.db2.gz OHXPSSVFPZPNMU-DEOSSOPVSA-N 0 3 416.529 2.931 20 30 HFEDHN CCCN(CCN1CCCCC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000807109181 1080288499 /nfs/dbraw/zinc/28/84/99/1080288499.db2.gz CMSCZIFLYINFAI-MSOLQXFVSA-N 0 3 407.559 2.653 20 30 HFEDHN C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H](c1ccccc1)N(C)C ZINC000807110115 1080289427 /nfs/dbraw/zinc/28/94/27/1080289427.db2.gz PZLVGAAUFKCCFW-KANFNMMFSA-N 0 3 415.538 2.736 20 30 HFEDHN C#C[C@@H](NC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC)c1ccc(Cl)cc1F ZINC000807327990 1080526027 /nfs/dbraw/zinc/52/60/27/1080526027.db2.gz FHFPMPGHKCDRGR-QGZVFWFLSA-N 0 3 417.868 2.979 20 30 HFEDHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164886132 721404211 /nfs/dbraw/zinc/40/42/11/721404211.db2.gz HVESEXSGDFFCFK-XUZZJYLKSA-N 0 3 405.546 2.872 20 30 HFEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)c2cc(Cc3ccccc3)[nH]n2)cc1 ZINC000793126478 1078072116 /nfs/dbraw/zinc/07/21/16/1078072116.db2.gz SOFBFFSXLVSHFU-LJQANCHMSA-N 0 3 415.453 2.663 20 30 HFEDHN N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793282436 1078117755 /nfs/dbraw/zinc/11/77/55/1078117755.db2.gz YYGIWOBFZUONNX-IAGOWNOFSA-N 0 3 416.886 2.626 20 30 HFEDHN N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793282442 1078117777 /nfs/dbraw/zinc/11/77/77/1078117777.db2.gz YYGIWOBFZUONNX-SJORKVTESA-N 0 3 416.886 2.626 20 30 HFEDHN N#Cc1ccc(CC(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)cn1 ZINC001129612107 1078618349 /nfs/dbraw/zinc/61/83/49/1078618349.db2.gz SZCVJWKNWPJUDU-UHFFFAOYSA-N 0 3 423.948 2.962 20 30 HFEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000804891282 1078749819 /nfs/dbraw/zinc/74/98/19/1078749819.db2.gz JOKSOLFNPHYFRZ-INIZCTEOSA-N 0 3 409.452 2.788 20 30 HFEDHN N#Cc1cc(Br)ccc1COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000805390080 1079035629 /nfs/dbraw/zinc/03/56/29/1079035629.db2.gz DNTJFHJUKWTBSZ-NEPJUHHUSA-N 0 3 405.170 2.821 20 30 HFEDHN C=CCN1CCC(NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787330602 1076742777 /nfs/dbraw/zinc/74/27/77/1076742777.db2.gz ZUFKKVBKAZPQHL-OAHLLOKOSA-N 0 3 403.527 2.514 20 30 HFEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnc(Br)c(OC)c2)c1 ZINC000788351161 1077122821 /nfs/dbraw/zinc/12/28/21/1077122821.db2.gz KXCFQTMDDSBIQB-CYBMUJFWSA-N 0 3 404.220 2.822 20 30 HFEDHN C#CCOc1ccccc1CNC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000788530011 1077203874 /nfs/dbraw/zinc/20/38/74/1077203874.db2.gz UYZSWODHYGJQEH-OAQYLSRUSA-N 0 3 410.489 2.645 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)n1 ZINC000789021680 1077387166 /nfs/dbraw/zinc/38/71/66/1077387166.db2.gz NNZWPUVOZTWGJY-HSZRJFAPSA-N 0 3 423.561 2.902 20 30 HFEDHN COc1cccc(C2=NO[C@@H](C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)C2)c1 ZINC000791517333 1077452929 /nfs/dbraw/zinc/45/29/29/1077452929.db2.gz XCBRYLFFCIIAMS-JOCHJYFZSA-N 0 3 406.486 2.650 20 30 HFEDHN COCc1nc2sc(C(=O)C(C#N)C(=O)Nc3ccccn3)c(C)c2c(OC)n1 ZINC000747020382 1077461148 /nfs/dbraw/zinc/46/11/48/1077461148.db2.gz BWECPHQVJDZJSA-NSHDSACASA-N 0 3 411.443 2.511 20 30 HFEDHN CSC[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000792109130 1077700733 /nfs/dbraw/zinc/70/07/33/1077700733.db2.gz OCHWWVPCPBYZQQ-XTDOFWJNSA-N 0 3 422.510 2.713 20 30 HFEDHN Cn1ccnc1[C@@H](O)C1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000789731789 1077742435 /nfs/dbraw/zinc/74/24/35/1077742435.db2.gz KYKDLHMBDCLHHG-NRFANRHFSA-N 0 3 405.506 2.538 20 30 HFEDHN N#CC1(c2ccccc2)CCC(N2CC(N3CCN(c4ncccn4)CC3)C2)CC1 ZINC001170378660 1077963161 /nfs/dbraw/zinc/96/31/61/1077963161.db2.gz HLTBJCSCROAREM-UHFFFAOYSA-N 0 3 402.546 2.687 20 30 HFEDHN C#CCN1CCC(C(=O)NCc2ccc(Cl)cc2I)CC1 ZINC000772753063 1077995172 /nfs/dbraw/zinc/99/51/72/1077995172.db2.gz TUJAKMOJWNDNFK-UHFFFAOYSA-N 0 3 416.690 2.906 20 30 HFEDHN N#CCOc1ccc(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001130733001 1079970891 /nfs/dbraw/zinc/97/08/91/1079970891.db2.gz HHNRATBFZBNPBJ-GOTSBHOMSA-N 0 3 405.498 2.633 20 30 HFEDHN C#C[C@@H](NC(=O)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1)C(C)(C)C ZINC000807536782 1080752344 /nfs/dbraw/zinc/75/23/44/1080752344.db2.gz ZVVJRVALLXEMRS-VQTJNVASSA-N 0 3 421.545 2.741 20 30 HFEDHN C#CCN1CCC(C(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC001130986929 1080815556 /nfs/dbraw/zinc/81/55/56/1080815556.db2.gz NFIOLOMUOKKPSX-HSZRJFAPSA-N 0 3 401.510 2.845 20 30 HFEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000793278615 1078109623 /nfs/dbraw/zinc/10/96/23/1078109623.db2.gz DCTJGMVJYSPUTP-FHWLQOOXSA-N 0 3 410.495 2.924 20 30 HFEDHN C[C@H](NC(=O)C(C#N)C(=O)COCc1ccnn1C)c1ccc(Cl)cc1Cl ZINC000793279283 1078126698 /nfs/dbraw/zinc/12/66/98/1078126698.db2.gz IZWYSPOKXLWWQU-NHYWBVRUSA-N 0 3 409.273 2.830 20 30 HFEDHN C[C@@H](CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N1CCCCC1 ZINC000793707140 1078276920 /nfs/dbraw/zinc/27/69/20/1078276920.db2.gz DTJVVDJDSDZYMG-INIZCTEOSA-N 0 3 410.543 2.894 20 30 HFEDHN C#CCNc1nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)n1 ZINC000804552895 1078579247 /nfs/dbraw/zinc/57/92/47/1078579247.db2.gz ILGGSSNICWIIMN-LHIBYTEYSA-N 0 3 412.538 2.656 20 30 HFEDHN C=C(C)CN1CCC(NC(=O)NC[C@@]2(COC)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000805081139 1078912468 /nfs/dbraw/zinc/91/24/68/1078912468.db2.gz TZLAHNPUXHEDCT-JOCHJYFZSA-N 0 3 424.586 2.742 20 30 HFEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1C ZINC000747230384 1078947583 /nfs/dbraw/zinc/94/75/83/1078947583.db2.gz RFANTDPGSQBCQI-WOJBJXKFSA-N 0 3 407.518 2.674 20 30 HFEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1C ZINC000747230382 1078947627 /nfs/dbraw/zinc/94/76/27/1078947627.db2.gz RFANTDPGSQBCQI-UXHICEINSA-N 0 3 407.518 2.674 20 30 HFEDHN N#CCOc1cccc(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC001130528510 1079465022 /nfs/dbraw/zinc/46/50/22/1079465022.db2.gz NQTBZKGNSFLKNH-DHIUTWEWSA-N 0 3 405.498 2.633 20 30 HFEDHN CC(C)(C)OC(=O)[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000746679890 1076801224 /nfs/dbraw/zinc/80/12/24/1076801224.db2.gz QRFWMXFPUKSSKG-XJKSGUPXSA-N 0 3 401.488 2.515 20 30 HFEDHN N#CC(C(=O)Cc1ccccc1I)C(=O)NC1CCCCC1 ZINC000788081764 1077054224 /nfs/dbraw/zinc/05/42/24/1077054224.db2.gz SUJVUEUNLHVUBG-AWEZNQCLSA-N 0 3 410.255 2.991 20 30 HFEDHN Cc1nn(C)c(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N ZINC000788268602 1077093697 /nfs/dbraw/zinc/09/36/97/1077093697.db2.gz GQXYLYXLMMHTEC-UHFFFAOYSA-N 0 3 416.570 2.759 20 30 HFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788749135 1077289745 /nfs/dbraw/zinc/28/97/45/1077289745.db2.gz YRXPVHLBABLNSA-IBGZPJMESA-N 0 3 412.534 2.705 20 30 HFEDHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)c1 ZINC000792397483 1077834337 /nfs/dbraw/zinc/83/43/37/1077834337.db2.gz LGZDBBNZEGOLLM-QGZVFWFLSA-N 0 3 424.501 2.515 20 30 HFEDHN C=CCN(CC=C)CCN1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355017 1077949044 /nfs/dbraw/zinc/94/90/44/1077949044.db2.gz UQJOVLRGEZAJJP-LJQANCHMSA-N 0 3 402.539 2.826 20 30 HFEDHN N#CC1(c2ccccc2)CCC(N2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 ZINC001170389191 1077957888 /nfs/dbraw/zinc/95/78/88/1077957888.db2.gz MGLUNSADFLUGBE-UHFFFAOYSA-N 0 3 401.576 2.585 20 30 HFEDHN CC(C)Oc1ccc([C@@H](CNC(=O)NCCNc2ccc(C#N)cn2)N(C)C)cc1 ZINC000806412912 1079661022 /nfs/dbraw/zinc/66/10/22/1079661022.db2.gz WAMIMDVUGZEGEF-HXUWFJFHSA-N 0 3 410.522 2.754 20 30 HFEDHN N#CCOc1ccc(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001130733003 1079970963 /nfs/dbraw/zinc/97/09/63/1079970963.db2.gz HHNRATBFZBNPBJ-XZOQPEGZSA-N 0 3 405.498 2.633 20 30 HFEDHN N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)c2)s1 ZINC000807249088 1080405190 /nfs/dbraw/zinc/40/51/90/1080405190.db2.gz LNAJXDMYRMBLMB-LJQANCHMSA-N 0 3 422.554 2.990 20 30 HFEDHN CC(C)N1CCCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000807250177 1080406872 /nfs/dbraw/zinc/40/68/72/1080406872.db2.gz TXLUPBQSPLNNII-UHFFFAOYSA-N 0 3 410.543 2.846 20 30 HFEDHN Cn1cc(CN2CC[C@H]3CN(c4c(C#N)cnc5cnc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164774297 721086834 /nfs/dbraw/zinc/08/68/34/721086834.db2.gz ZRRFTWLIOMGMSK-DOTOQJQBSA-N 0 3 407.909 2.847 20 30 HFEDHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C5(C#N)CCC5)cn4)C3)O2)CC1 ZINC001164883592 721411319 /nfs/dbraw/zinc/41/13/19/721411319.db2.gz BEDWCIDMUODPKY-XUZZJYLKSA-N 0 3 409.578 2.792 20 30 HFEDHN N#Cc1cc2c(nc1N1CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C1)CCCC2 ZINC001164983361 722139892 /nfs/dbraw/zinc/13/98/92/722139892.db2.gz UQJWDRMQKXJHST-REWPJTCUSA-N 0 3 403.530 2.954 20 30 HFEDHN CN(C(=O)c1ccc(NCc2cnc3ccc(C#N)cn23)cc1)[C@@H]1CCCN(C)C1 ZINC000793604326 1078221653 /nfs/dbraw/zinc/22/16/53/1078221653.db2.gz FOQJLIKTQFOLEW-HXUWFJFHSA-N 0 3 402.502 2.984 20 30 HFEDHN C=CC[C@H](NC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)c1ccncc1 ZINC000805199374 1078952641 /nfs/dbraw/zinc/95/26/41/1078952641.db2.gz YXYQHXKYBMWCNI-URXFXBBRSA-N 0 3 406.530 2.986 20 30 HFEDHN N#Cc1cc(Br)ccc1COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000805390082 1079035653 /nfs/dbraw/zinc/03/56/53/1079035653.db2.gz DNTJFHJUKWTBSZ-RYUDHWBXSA-N 0 3 405.170 2.821 20 30 HFEDHN N#CC(C(=O)Cc1ccccc1I)C(=O)NC1CCCCC1 ZINC000788081765 1077054281 /nfs/dbraw/zinc/05/42/81/1077054281.db2.gz SUJVUEUNLHVUBG-CQSZACIVSA-N 0 3 410.255 2.991 20 30 HFEDHN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)C(C#N)C(=O)NCc2ccc(F)c(F)c2)C1 ZINC000789436107 1077571336 /nfs/dbraw/zinc/57/13/36/1077571336.db2.gz YJROBJUQELUFDM-UONOGXRCSA-N 0 3 419.428 2.547 20 30 HFEDHN CN(CC(=O)C(C#N)c1cnc2ccccc2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000792107488 1077699759 /nfs/dbraw/zinc/69/97/59/1077699759.db2.gz GWOBJQSMLRMWPQ-OAHLLOKOSA-N 0 3 414.874 2.780 20 30 HFEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)CC1 ZINC000790303018 1077999466 /nfs/dbraw/zinc/99/94/66/1077999466.db2.gz PMHQPQIBQRSNLH-JOCHJYFZSA-N 0 3 411.550 2.799 20 30 HFEDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000806329001 1079600728 /nfs/dbraw/zinc/60/07/28/1079600728.db2.gz NDDKROUPTXHNTQ-GOSISDBHSA-N 0 3 410.543 2.894 20 30 HFEDHN CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccco1 ZINC000807109297 1080288307 /nfs/dbraw/zinc/28/83/07/1080288307.db2.gz FNBWNSWLUMVHJH-YLFCFFPRSA-N 0 3 419.526 2.767 20 30 HFEDHN CCCN(CCN1CCCCC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000807109183 1080288417 /nfs/dbraw/zinc/28/84/17/1080288417.db2.gz CMSCZIFLYINFAI-ROUUACIJSA-N 0 3 407.559 2.653 20 30 HFEDHN C#C[C@H](NC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1)C(C)(C)C ZINC000807535932 1080751435 /nfs/dbraw/zinc/75/14/35/1080751435.db2.gz GUTDUKLTVVDKPP-UXHICEINSA-N 0 3 421.545 2.741 20 30 HFEDHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC001164630293 719138869 /nfs/dbraw/zinc/13/88/69/719138869.db2.gz INFWHYNZDFQJKH-ZDUSSCGKSA-N 0 3 415.227 2.909 20 30 HFEDHN C=CC[C@@]1(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790771977 1078129593 /nfs/dbraw/zinc/12/95/93/1078129593.db2.gz JBMHMXUSFDJDTO-AVRDEDQJSA-N 0 3 407.555 2.702 20 30 HFEDHN CC1CCN([C@@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)c2ccccc2)CC1 ZINC000793782886 1078293333 /nfs/dbraw/zinc/29/33/33/1078293333.db2.gz GSROXCZCXOIMSS-QFIPXVFZSA-N 0 3 422.504 2.903 20 30 HFEDHN C=CC[C@@H](NC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)c1ccncc1 ZINC000805199373 1078952618 /nfs/dbraw/zinc/95/26/18/1078952618.db2.gz YXYQHXKYBMWCNI-QPPBQGQZSA-N 0 3 406.530 2.986 20 30 HFEDHN C=CC[C@H](NC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)c1ccncc1 ZINC000805199375 1078952703 /nfs/dbraw/zinc/95/27/03/1078952703.db2.gz YXYQHXKYBMWCNI-XUZZJYLKSA-N 0 3 406.530 2.986 20 30 HFEDHN C=CC[C@H](NC(=O)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccncc1 ZINC000805812934 1079287299 /nfs/dbraw/zinc/28/72/99/1079287299.db2.gz GANDYKNIPRGFAK-ABHNRTSZSA-N 0 3 424.467 2.737 20 30 HFEDHN CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H](N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000787716914 1076924644 /nfs/dbraw/zinc/92/46/44/1076924644.db2.gz KFKSIANHQIECRJ-NZQKXSOJSA-N 0 3 414.550 2.831 20 30 HFEDHN CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H](N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000787716921 1076924653 /nfs/dbraw/zinc/92/46/53/1076924653.db2.gz KFKSIANHQIECRJ-REWPJTCUSA-N 0 3 414.550 2.831 20 30 HFEDHN N#CC(C(=O)Cc1ccccc1I)C(=O)Nc1ccccn1 ZINC000788081018 1077054209 /nfs/dbraw/zinc/05/42/09/1077054209.db2.gz IIUXQSHUVRUWLV-GFCCVEGCSA-N 0 3 405.195 2.576 20 30 HFEDHN Cc1cc([C@H](CC(=O)C(C#N)C(=O)NC2CC2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC000788351880 1077122880 /nfs/dbraw/zinc/12/28/80/1077122880.db2.gz OVCQMOKHPGBGRL-CABCVRRESA-N 0 3 420.897 2.987 20 30 HFEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnc(Br)c(OC)c1 ZINC000788352250 1077123581 /nfs/dbraw/zinc/12/35/81/1077123581.db2.gz RQAXNSPWLRTIGN-NSHDSACASA-N 0 3 404.220 2.822 20 30 HFEDHN CSC[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000792109123 1077700725 /nfs/dbraw/zinc/70/07/25/1077700725.db2.gz OCHWWVPCPBYZQQ-NXEZDXNNSA-N 0 3 422.510 2.713 20 30 HFEDHN Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000789739241 1077772957 /nfs/dbraw/zinc/77/29/57/1077772957.db2.gz JSDWKBRMBKYGNN-GHTZIAJQSA-N 0 3 405.506 2.538 20 30 HFEDHN Cc1nc(CN2CCN(CC(=O)C(C#N)c3nc4ccccc4s3)CC2)oc1C ZINC000772747753 1077946495 /nfs/dbraw/zinc/94/64/95/1077946495.db2.gz VBFUSCTUJVSTGP-MRXNPFEDSA-N 0 3 409.515 2.895 20 30 HFEDHN C#CCN1CCN(C(=O)CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CC1 ZINC000792931876 1078028327 /nfs/dbraw/zinc/02/83/27/1078028327.db2.gz YAYWXKALKDQAJI-OAQYLSRUSA-N 0 3 423.479 2.540 20 30 HFEDHN C[C@@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1=CCN(C)CC1 ZINC000807249976 1080407275 /nfs/dbraw/zinc/40/72/75/1080407275.db2.gz NJLWXLBQADBCKT-OAHLLOKOSA-N 0 3 408.527 2.670 20 30 HFEDHN C[C@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1=CCN(C)CC1 ZINC000807249975 1080407335 /nfs/dbraw/zinc/40/73/35/1080407335.db2.gz NJLWXLBQADBCKT-HNNXBMFYSA-N 0 3 408.527 2.670 20 30 HFEDHN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164391354 718826023 /nfs/dbraw/zinc/82/60/23/718826023.db2.gz UQKGJKQEQZAEIL-DOTOQJQBSA-N 0 3 405.836 2.781 20 30 HFEDHN Cn1cc(CN2CC[C@@H]3CN(c4c(C#N)cnc5cnc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164774299 721087385 /nfs/dbraw/zinc/08/73/85/721087385.db2.gz ZRRFTWLIOMGMSK-NVXWUHKLSA-N 0 3 407.909 2.847 20 30 HFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793122407 1078071064 /nfs/dbraw/zinc/07/10/64/1078071064.db2.gz BUDZOIXASKPAGO-CVEARBPZSA-N 0 3 412.467 2.694 20 30 HFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000793123491 1078071298 /nfs/dbraw/zinc/07/12/98/1078071298.db2.gz IDFHPSATHMECOX-INIZCTEOSA-N 0 3 421.457 2.817 20 30 HFEDHN N#Cc1ccncc1N1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000793285781 1078118318 /nfs/dbraw/zinc/11/83/18/1078118318.db2.gz FXHVFRNHUKQJBO-UHFFFAOYSA-N 0 3 420.586 2.614 20 30 HFEDHN COc1ccc(NC(=O)C(C#N)C(=O)C2CCN(c3cnccn3)CC2)cc1Cl ZINC000747109293 1078116327 /nfs/dbraw/zinc/11/63/27/1078116327.db2.gz OHDIMAPVIKLGMU-OAHLLOKOSA-N 0 3 413.865 2.703 20 30 HFEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000804418599 1078468976 /nfs/dbraw/zinc/46/89/76/1078468976.db2.gz QSOUYWJARSWWHE-GOSISDBHSA-N 0 3 410.543 2.894 20 30 HFEDHN C#CCNc1nc(NCCc2ccc(C)nc2)nc(NCCc2ccc(C)nc2)n1 ZINC000804447127 1078512915 /nfs/dbraw/zinc/51/29/15/1078512915.db2.gz XMSQDJVICVHPOQ-UHFFFAOYSA-N 0 3 402.506 2.633 20 30 HFEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CO[C@H](C)c1nccn1C ZINC000805853401 1079303095 /nfs/dbraw/zinc/30/30/95/1079303095.db2.gz ITRNIIDFTDYBBU-CHWSQXEVSA-N 0 3 404.854 2.816 20 30 HFEDHN CN1CCN(CCCOc2ccc(NC(=O)COc3cccc(C#N)c3)cc2)CC1 ZINC001130541425 1079461888 /nfs/dbraw/zinc/46/18/88/1079461888.db2.gz CPHNCDGHBPQHMF-UHFFFAOYSA-N 0 3 408.502 2.592 20 30 HFEDHN CC1CCN(CCNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000787663254 1076903123 /nfs/dbraw/zinc/90/31/23/1076903123.db2.gz DCJRKJYYWJEDRY-UHFFFAOYSA-N 0 3 410.543 2.751 20 30 HFEDHN C[C@H]1CCCN(CCNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000787667443 1076904019 /nfs/dbraw/zinc/90/40/19/1076904019.db2.gz CDUPNBHRNNTLEQ-INIZCTEOSA-N 0 3 410.543 2.751 20 30 HFEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnc(Br)c(OC)c2)c1 ZINC000788351163 1077122926 /nfs/dbraw/zinc/12/29/26/1077122926.db2.gz KXCFQTMDDSBIQB-ZDUSSCGKSA-N 0 3 404.220 2.822 20 30 HFEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCc2nc(C)sc21)C(C)C ZINC000788444368 1077161962 /nfs/dbraw/zinc/16/19/62/1077161962.db2.gz QEPMGFXIGDODHR-QZTJIDSGSA-N 0 3 404.580 2.760 20 30 HFEDHN N#CCCn1cc(CNCc2ccc(N3CCOCC3)cc2)c(-c2ccncc2)n1 ZINC000788506950 1077185965 /nfs/dbraw/zinc/18/59/65/1077185965.db2.gz GCJCRMYHWYKZKY-UHFFFAOYSA-N 0 3 402.502 2.985 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)n1 ZINC000788898635 1077343996 /nfs/dbraw/zinc/34/39/96/1077343996.db2.gz SWOPBLRWUWZBBT-CTNGQTDRSA-N 0 3 409.534 2.510 20 30 HFEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)nnn1CC1CCCC1 ZINC000789406277 1077562980 /nfs/dbraw/zinc/56/29/80/1077562980.db2.gz SVXIQZZAVJVFOX-INIZCTEOSA-N 0 3 409.446 2.509 20 30 HFEDHN N#Cc1cc(F)ccc1N1CCC[C@H](OC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000789475740 1077568621 /nfs/dbraw/zinc/56/86/21/1077568621.db2.gz KAGYZJOICDDOTE-LZWOXQAQSA-N 0 3 413.371 2.666 20 30 HFEDHN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792102444 1077697416 /nfs/dbraw/zinc/69/74/16/1077697416.db2.gz XLTYSZCCOBYLEL-KFWWJZLASA-N 0 3 405.458 2.553 20 30 HFEDHN CCC1CCC2(CC1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792107637 1077699811 /nfs/dbraw/zinc/69/98/11/1077699811.db2.gz GVKYOTCXWLUCBU-HVPFBLEYSA-N 0 3 405.458 2.697 20 30 HFEDHN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792107187 1077699976 /nfs/dbraw/zinc/69/99/76/1077699976.db2.gz CCAZDRMWIYXQMN-JLCFBVMHSA-N 0 3 405.458 2.697 20 30 HFEDHN C#CCN1CCN(C(=O)CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CC1 ZINC000792931875 1078028361 /nfs/dbraw/zinc/02/83/61/1078028361.db2.gz YAYWXKALKDQAJI-NRFANRHFSA-N 0 3 423.479 2.540 20 30 HFEDHN C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H](c1ccccc1)N(C)C ZINC000807110111 1080288866 /nfs/dbraw/zinc/28/88/66/1080288866.db2.gz PZLVGAAUFKCCFW-GDAAHCPNSA-N 0 3 415.538 2.736 20 30 HFEDHN N#Cc1cc2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)ccc2[nH]1 ZINC001164960702 722059437 /nfs/dbraw/zinc/05/94/37/722059437.db2.gz ICCLLDRAKGHIDS-UHFFFAOYSA-N 0 3 402.502 2.949 20 30 HFEDHN N#Cc1cc2c(nc1N1CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C1)CCCC2 ZINC001164983355 722139534 /nfs/dbraw/zinc/13/95/34/722139534.db2.gz UQJWDRMQKXJHST-NFBKMPQASA-N 0 3 403.530 2.954 20 30 HFEDHN C=CC[C@@]1(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634114 1078069702 /nfs/dbraw/zinc/06/97/02/1078069702.db2.gz RAQDBWDFSZBYFP-CVDCTZTESA-N 0 3 422.614 2.722 20 30 HFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793122413 1078071035 /nfs/dbraw/zinc/07/10/35/1078071035.db2.gz BUDZOIXASKPAGO-HZPDHXFCSA-N 0 3 412.467 2.694 20 30 HFEDHN COC(=O)c1cc2ccccc2c(CN2CCN(c3cnccc3C#N)CC2)c1O ZINC000793669110 1078246248 /nfs/dbraw/zinc/24/62/48/1078246248.db2.gz QBSHKWFJMBQOKX-UHFFFAOYSA-N 0 3 402.454 2.921 20 30 HFEDHN C#CCN1CCC(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000787541561 1076854609 /nfs/dbraw/zinc/85/46/09/1076854609.db2.gz KZJDEOXYPFEYKG-QHCPKHFHSA-N 0 3 404.510 2.975 20 30 HFEDHN COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1NCc1ccc(C#N)c(F)c1 ZINC001170089233 1077280355 /nfs/dbraw/zinc/28/03/55/1077280355.db2.gz IGPCUHIKLVNJJA-INIZCTEOSA-N 0 3 414.481 2.810 20 30 HFEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCN(c2cnccn2)CC1 ZINC000789366556 1077540400 /nfs/dbraw/zinc/54/04/00/1077540400.db2.gz PPGAGAPIPXRGEI-INIZCTEOSA-N 0 3 406.515 2.863 20 30 HFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2nnn(CC3CCCC3)c2C)cc1OC ZINC000789404237 1077562067 /nfs/dbraw/zinc/56/20/67/1077562067.db2.gz QOWPHJPHXRDBDN-INIZCTEOSA-N 0 3 411.462 2.755 20 30 HFEDHN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)C(C#N)C(=O)NCc2ccc(F)c(F)c2)C1 ZINC000789436109 1077571304 /nfs/dbraw/zinc/57/13/04/1077571304.db2.gz YJROBJUQELUFDM-ZIAGYGMSSA-N 0 3 419.428 2.547 20 30 HFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807246806 1080401978 /nfs/dbraw/zinc/40/19/78/1080401978.db2.gz USRLGYYRNDXEPJ-MOPGFXCFSA-N 0 3 422.554 2.988 20 30 HFEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000807335811 1080536164 /nfs/dbraw/zinc/53/61/64/1080536164.db2.gz ONGGVQQPRRFTDY-NRFANRHFSA-N 0 3 418.541 2.518 20 30 HFEDHN N#Cc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164750504 720800256 /nfs/dbraw/zinc/80/02/56/720800256.db2.gz VVUAQQKUMXFGFF-IRXDYDNUSA-N 0 3 406.877 2.892 20 30 HFEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)c2cnc(OC)c(Cl)c2)cc1 ZINC000793123158 1078071343 /nfs/dbraw/zinc/07/13/43/1078071343.db2.gz FTVJUKIUTVPGIF-AWEZNQCLSA-N 0 3 401.806 2.881 20 30 HFEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)Cc2cc(F)c(F)cc2F)cc1OC ZINC000793127850 1078072424 /nfs/dbraw/zinc/07/24/24/1078072424.db2.gz ZBWMVDBNYPIQAS-CQSZACIVSA-N 0 3 420.387 2.731 20 30 HFEDHN N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793282431 1078117764 /nfs/dbraw/zinc/11/77/64/1078117764.db2.gz YYGIWOBFZUONNX-DLBZAZTESA-N 0 3 416.886 2.626 20 30 HFEDHN C[C@H](NC(=O)C(C#N)C(=O)COCc1ccnn1C)c1ccc(Cl)cc1Cl ZINC000793279285 1078126617 /nfs/dbraw/zinc/12/66/17/1078126617.db2.gz IZWYSPOKXLWWQU-XHDPSFHLSA-N 0 3 409.273 2.830 20 30 HFEDHN C=CC[C@]1(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790771983 1078129542 /nfs/dbraw/zinc/12/95/42/1078129542.db2.gz JBMHMXUSFDJDTO-XMSQKQJNSA-N 0 3 407.555 2.702 20 30 HFEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000804891062 1078750259 /nfs/dbraw/zinc/75/02/59/1078750259.db2.gz FYXBDGUZCGPWES-MRXNPFEDSA-N 0 3 409.452 2.788 20 30 HFEDHN C=CC[C@@H](NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1)c1ccncc1 ZINC000805813524 1079286973 /nfs/dbraw/zinc/28/69/73/1079286973.db2.gz GVRCQKAUDZHCEE-LJQANCHMSA-N 0 3 416.591 2.683 20 30 HFEDHN CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H](N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000787716917 1076924666 /nfs/dbraw/zinc/92/46/66/1076924666.db2.gz KFKSIANHQIECRJ-OFNKIYASSA-N 0 3 414.550 2.831 20 30 HFEDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnc1Br ZINC000788159965 1077071402 /nfs/dbraw/zinc/07/14/02/1077071402.db2.gz FMELCSQCYBUPBX-UHFFFAOYSA-N 0 3 417.307 2.928 20 30 HFEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC([C@H](O)c3ncc[nH]3)CC1)CCCC2 ZINC000788473861 1077171368 /nfs/dbraw/zinc/17/13/68/1077171368.db2.gz XCSCUAIGKDEDTI-IBGZPJMESA-N 0 3 413.547 2.996 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)n1 ZINC000788898639 1077344068 /nfs/dbraw/zinc/34/40/68/1077344068.db2.gz SWOPBLRWUWZBBT-FPOVZHCZSA-N 0 3 409.534 2.510 20 30 HFEDHN COc1cccc(C2=NO[C@H](C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)C2)c1 ZINC000791517351 1077452868 /nfs/dbraw/zinc/45/28/68/1077452868.db2.gz XCBRYLFFCIIAMS-QFIPXVFZSA-N 0 3 406.486 2.650 20 30 HFEDHN N#Cc1cc(F)ccc1N1CCC[C@H](OC(=O)C2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000789475742 1077568466 /nfs/dbraw/zinc/56/84/66/1077568466.db2.gz KAGYZJOICDDOTE-SQWLQELKSA-N 0 3 413.371 2.666 20 30 HFEDHN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792100714 1077696020 /nfs/dbraw/zinc/69/60/20/1077696020.db2.gz PUIZYOGQAYKUNA-USGALAMMSA-N 0 3 419.485 2.943 20 30 HFEDHN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792102449 1077697414 /nfs/dbraw/zinc/69/74/14/1077697414.db2.gz XLTYSZCCOBYLEL-RBSFLKMASA-N 0 3 405.458 2.553 20 30 HFEDHN CCn1cc(N(C(=N)N)c2ccc(N3CCOCC3)cc2)c2sc(C#N)cc2c1=O ZINC001170170465 1077894872 /nfs/dbraw/zinc/89/48/72/1077894872.db2.gz SHDVVAQGUXRARH-UHFFFAOYSA-N 0 3 422.514 2.823 20 30 HFEDHN CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)Nc2cc(C#N)ncn2)cc1 ZINC001170269023 1077923267 /nfs/dbraw/zinc/92/32/67/1077923267.db2.gz IGOXVLQPXPVYAD-UHFFFAOYSA-N 0 3 424.461 2.627 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000790105389 1077950823 /nfs/dbraw/zinc/95/08/23/1077950823.db2.gz HEQQIQFXBRPIJV-FQEVSTJZSA-N 0 3 412.509 2.543 20 30 HFEDHN CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2C1CCC(C#N)(c2ccccc2)CC1 ZINC001170383878 1077964509 /nfs/dbraw/zinc/96/45/09/1077964509.db2.gz RKMSBCVEVIUAFE-QOPWXXACSA-N 0 3 411.546 2.727 20 30 HFEDHN CCN1CCN(c2ccc(NC(=O)COC(=O)/C=C/c3ccccc3C#N)cc2)CC1 ZINC000806318056 1079571221 /nfs/dbraw/zinc/57/12/21/1079571221.db2.gz RDAZCVPPDYSZJO-KPKJPENVSA-N 0 3 418.497 2.895 20 30 HFEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000807465238 1080642463 /nfs/dbraw/zinc/64/24/63/1080642463.db2.gz GWAHEPQWCVFLEU-VXNXHJTFSA-N 0 3 405.542 2.803 20 30 HFEDHN Cc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164746881 720741425 /nfs/dbraw/zinc/74/14/25/720741425.db2.gz YUORESNZHKTFIQ-VQTJNVASSA-N 0 3 407.594 2.751 20 30 HFEDHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164886136 721404372 /nfs/dbraw/zinc/40/43/72/721404372.db2.gz HVESEXSGDFFCFK-ZJSXRUAMSA-N 0 3 405.546 2.872 20 30 HFEDHN C=CC[C@@]1(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634120 1078069545 /nfs/dbraw/zinc/06/95/45/1078069545.db2.gz RAQDBWDFSZBYFP-XXBNENTESA-N 0 3 422.614 2.722 20 30 HFEDHN C#CCNc1nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc(N[C@@H]2CCC[C@H]3OCC[C@H]32)n1 ZINC000804552896 1078579193 /nfs/dbraw/zinc/57/91/93/1078579193.db2.gz ILGGSSNICWIIMN-MJJLTSLDSA-N 0 3 412.538 2.656 20 30 HFEDHN C=CC[C@@H](NC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000805810136 1079285163 /nfs/dbraw/zinc/28/51/63/1079285163.db2.gz AGNAYPGMYFYDJV-DYESRHJHSA-N 0 3 407.518 2.552 20 30 HFEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000806170915 1079460940 /nfs/dbraw/zinc/46/09/40/1079460940.db2.gz JYTJUUDIZOJNTQ-DOTOQJQBSA-N 0 3 401.960 2.739 20 30 HFEDHN C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](CC)N2CCc3ccccc3C2)n1 ZINC000788867694 1077324735 /nfs/dbraw/zinc/32/47/35/1077324735.db2.gz YJIUSMVFHQCVBG-QHCPKHFHSA-N 0 3 423.561 2.511 20 30 HFEDHN Cc1c(Br)c(C)n(NC(=O)c2cccc(CN(C)C)c2)c(=O)c1C#N ZINC000791171712 1077326637 /nfs/dbraw/zinc/32/66/37/1077326637.db2.gz YFKJSVIDVFICKO-UHFFFAOYSA-N 0 3 403.280 2.545 20 30 HFEDHN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC000789436024 1077571028 /nfs/dbraw/zinc/57/10/28/1077571028.db2.gz XOKCIEXUHJAVFW-CVEARBPZSA-N 0 3 417.893 2.922 20 30 HFEDHN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792100704 1077696333 /nfs/dbraw/zinc/69/63/33/1077696333.db2.gz PUIZYOGQAYKUNA-GGOJBBCOSA-N 0 3 419.485 2.943 20 30 HFEDHN CCC1CCC2(CC1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792107635 1077699585 /nfs/dbraw/zinc/69/95/85/1077699585.db2.gz GVKYOTCXWLUCBU-HEOKHYPTSA-N 0 3 405.458 2.697 20 30 HFEDHN C#CCN1CCC(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000789714749 1077753490 /nfs/dbraw/zinc/75/34/90/1077753490.db2.gz BELAZWXJTRIENK-KRWDZBQOSA-N 0 3 408.329 2.950 20 30 HFEDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000792249398 1077764762 /nfs/dbraw/zinc/76/47/62/1077764762.db2.gz IVAOFASGUVDUTA-INIZCTEOSA-N 0 3 403.527 2.545 20 30 HFEDHN N#CC(C(=O)Cc1cc2c(cc1Br)OCCO2)C(=O)Nc1ccccn1 ZINC000789802212 1077805384 /nfs/dbraw/zinc/80/53/84/1077805384.db2.gz WIJFPHKYQUNJHU-GFCCVEGCSA-N 0 3 416.231 2.505 20 30 HFEDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001170366541 1077951163 /nfs/dbraw/zinc/95/11/63/1077951163.db2.gz YXHNUYXODZFJMT-NJYVYQBISA-N 0 3 415.534 2.986 20 30 HFEDHN CC(C)Oc1ccc([C@H](CNC(=O)NCCNc2ncccc2C#N)N(C)C)cc1 ZINC000806535528 1079806975 /nfs/dbraw/zinc/80/69/75/1079806975.db2.gz VKBYOXPMYZWPNE-FQEVSTJZSA-N 0 3 410.522 2.754 20 30 HFEDHN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000807336145 1080535266 /nfs/dbraw/zinc/53/52/66/1080535266.db2.gz WWJPGPRCLXCACG-JOCHJYFZSA-N 0 3 418.541 2.518 20 30 HFEDHN N#Cc1ccc(-c2ccncc2)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880922 721135809 /nfs/dbraw/zinc/13/58/09/721135809.db2.gz XOTYTKQOAWVBAS-YADHBBJMSA-N 0 3 412.497 2.890 20 30 HFEDHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C5(C#N)CCC5)cn4)C3)O2)CC1 ZINC001164883594 721411033 /nfs/dbraw/zinc/41/10/33/721411033.db2.gz BEDWCIDMUODPKY-ZJSXRUAMSA-N 0 3 409.578 2.792 20 30 HFEDHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(C5(C#N)CCC5)cn4)C3)O2)CC1 ZINC001164883587 721411073 /nfs/dbraw/zinc/41/10/73/721411073.db2.gz BEDWCIDMUODPKY-QPPBQGQZSA-N 0 3 409.578 2.792 20 30 HFEDHN N#Cc1c[nH]c2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)ccc12 ZINC001164963231 722057229 /nfs/dbraw/zinc/05/72/29/722057229.db2.gz JFZFPCRMLKDDNE-UHFFFAOYSA-N 0 3 402.502 2.949 20 30 HFEDHN N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976538 722100372 /nfs/dbraw/zinc/10/03/72/722100372.db2.gz DVHMIVDJRKCSBU-QAPCUYQASA-N 0 3 401.873 2.868 20 30 HFEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1CCN(c2cnccn2)CC1 ZINC000747109306 1078116738 /nfs/dbraw/zinc/11/67/38/1078116738.db2.gz OYEHLLNKZWALPW-CQSZACIVSA-N 0 3 401.829 2.833 20 30 HFEDHN C=CC[C@@]1(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790771979 1078129553 /nfs/dbraw/zinc/12/95/53/1078129553.db2.gz JBMHMXUSFDJDTO-GCJKJVERSA-N 0 3 407.555 2.702 20 30 HFEDHN C#CC[C@H](Cc1ccccc1)NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000804453306 1078491144 /nfs/dbraw/zinc/49/11/44/1078491144.db2.gz DKAFOTIKJGZPAS-OAQYLSRUSA-N 0 3 413.525 2.928 20 30 HFEDHN N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)c2)s1 ZINC000804731429 1078589204 /nfs/dbraw/zinc/58/92/04/1078589204.db2.gz NITVFCJTXHOINY-SFHVURJKSA-N 0 3 408.527 2.503 20 30 HFEDHN C=CC[C@@H](NC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)c1ccncc1 ZINC000805199376 1078952719 /nfs/dbraw/zinc/95/27/19/1078952719.db2.gz YXYQHXKYBMWCNI-ZJSXRUAMSA-N 0 3 406.530 2.986 20 30 HFEDHN Cc1cc([C@@H](CC(=O)C(C#N)C(=O)NC2CC2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC000788351889 1077122910 /nfs/dbraw/zinc/12/29/10/1077122910.db2.gz OVCQMOKHPGBGRL-LSDHHAIUSA-N 0 3 420.897 2.987 20 30 HFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789343782 1077528608 /nfs/dbraw/zinc/52/86/08/1077528608.db2.gz NJRRIJIOXOOYSL-HUUCEWRRSA-N 0 3 413.474 2.990 20 30 HFEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)cc([N+](=O)[O-])c1C ZINC000791772034 1077547009 /nfs/dbraw/zinc/54/70/09/1077547009.db2.gz UEDPQJYURHHSNN-AWEZNQCLSA-N 0 3 413.386 2.890 20 30 HFEDHN C#Cc1cccc(NC(=O)CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792042671 1077690646 /nfs/dbraw/zinc/69/06/46/1077690646.db2.gz UJVJILYCSUCXLE-UHFFFAOYSA-N 0 3 422.451 2.711 20 30 HFEDHN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)C(C#N)c1cnc3ccccc3n1)C2=O ZINC000792107188 1077700001 /nfs/dbraw/zinc/70/00/01/1077700001.db2.gz CCAZDRMWIYXQMN-PEBXRYMYSA-N 0 3 405.458 2.697 20 30 HFEDHN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000746835264 1077706747 /nfs/dbraw/zinc/70/67/47/1077706747.db2.gz WMFFBZAQQKNWGW-KRWDZBQOSA-N 0 3 402.539 2.951 20 30 HFEDHN Cn1ccnc1[C@H](O)C1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000789731792 1077742564 /nfs/dbraw/zinc/74/25/64/1077742564.db2.gz KYKDLHMBDCLHHG-OAQYLSRUSA-N 0 3 405.506 2.538 20 30 HFEDHN C#CCOc1ccc(NC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000792398050 1077833924 /nfs/dbraw/zinc/83/39/24/1077833924.db2.gz KIHFJNGZFGYMSL-UHFFFAOYSA-N 0 3 423.435 2.559 20 30 HFEDHN CCc1nc(C2CCN(Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)n[nH]1 ZINC000792397546 1077834202 /nfs/dbraw/zinc/83/42/02/1077834202.db2.gz LZVFZDHZAUGTJZ-MRXNPFEDSA-N 0 3 401.474 2.784 20 30 HFEDHN CCc1n[nH]c(C2CCN(Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)n1 ZINC000792397546 1077834206 /nfs/dbraw/zinc/83/42/06/1077834206.db2.gz LZVFZDHZAUGTJZ-MRXNPFEDSA-N 0 3 401.474 2.784 20 30 HFEDHN CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)ccc1OC ZINC000790020576 1077916018 /nfs/dbraw/zinc/91/60/18/1077916018.db2.gz YFNUVSYECANUBH-GOSISDBHSA-N 0 3 417.531 2.916 20 30 HFEDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000806329002 1079601283 /nfs/dbraw/zinc/60/12/83/1079601283.db2.gz NDDKROUPTXHNTQ-SFHVURJKSA-N 0 3 410.543 2.894 20 30 HFEDHN N#Cc1cnc2cc[nH]c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c1-2 ZINC001164960673 722058691 /nfs/dbraw/zinc/05/86/91/722058691.db2.gz GUMFIRBONPRKEG-UHFFFAOYSA-N 0 3 402.502 2.949 20 30 HFEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1C ZINC000747230381 1078947649 /nfs/dbraw/zinc/94/76/49/1078947649.db2.gz RFANTDPGSQBCQI-PMACEKPBSA-N 0 3 407.518 2.674 20 30 HFEDHN C=CC[C@H](NC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000805810138 1079285224 /nfs/dbraw/zinc/28/52/24/1079285224.db2.gz AGNAYPGMYFYDJV-UTKZUKDTSA-N 0 3 407.518 2.552 20 30 HFEDHN COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000805929534 1079359559 /nfs/dbraw/zinc/35/95/59/1079359559.db2.gz IJQMCPXVVPUNML-XJKSGUPXSA-N 0 3 412.446 2.653 20 30 HFEDHN N#CCOc1cccc(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC001130528515 1079465087 /nfs/dbraw/zinc/46/50/87/1079465087.db2.gz NQTBZKGNSFLKNH-PKTZIBPZSA-N 0 3 405.498 2.633 20 30 HFEDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000787751533 1076926310 /nfs/dbraw/zinc/92/63/10/1076926310.db2.gz MOZFCMKUBYIVEC-INIZCTEOSA-N 0 3 410.543 2.894 20 30 HFEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCCc2nc(C)sc21)C(C)C ZINC000788444378 1077162016 /nfs/dbraw/zinc/16/20/16/1077162016.db2.gz QEPMGFXIGDODHR-ZWKOTPCHSA-N 0 3 404.580 2.760 20 30 HFEDHN C#CCN1CCC(C(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)CC1 ZINC000747022975 1077490805 /nfs/dbraw/zinc/49/08/05/1077490805.db2.gz WYNRIBJNJKIAAJ-GOSISDBHSA-N 0 3 400.523 2.932 20 30 HFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2nnn(CC3CCCC3)c2C)cc1OC ZINC000789404238 1077562381 /nfs/dbraw/zinc/56/23/81/1077562381.db2.gz QOWPHJPHXRDBDN-MRXNPFEDSA-N 0 3 411.462 2.755 20 30 HFEDHN CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](NC#C[Si](C)(C)C)C1 ZINC001170377455 1077962909 /nfs/dbraw/zinc/96/29/09/1077962909.db2.gz ZDNLIUFTEZASOV-XUVXKRRUSA-N 0 3 408.615 2.755 20 30 HFEDHN