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1077565760 /nfs/dbraw/zinc/56/57/60/1077565760.db2.gz QINGEFWQJPCMET-CAMPQQCRSA-N 0 0 412.475 0.761 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000465417782 1077565854 /nfs/dbraw/zinc/56/58/54/1077565854.db2.gz QINGEFWQJPCMET-JYCIKRDWSA-N 0 0 412.475 0.761 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000465417783 1077566405 /nfs/dbraw/zinc/56/64/05/1077566405.db2.gz QINGEFWQJPCMET-MUWSIPGASA-N 0 0 412.475 0.761 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000465417784 1077566424 /nfs/dbraw/zinc/56/64/24/1077566424.db2.gz QINGEFWQJPCMET-YBKRRLQSSA-N 0 0 412.475 0.761 20 30 HCEDRN CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000465417896 1077572901 /nfs/dbraw/zinc/57/29/01/1077572901.db2.gz RFBBCYJGZFQQGZ-ZDUSSCGKSA-N 0 0 407.434 0.384 20 30 HCEDRN CC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000465417925 1077572995 /nfs/dbraw/zinc/57/29/95/1077572995.db2.gz RJKYAMYXFYBDBV-AWEZNQCLSA-N 0 0 421.461 0.660 20 30 HCEDRN CC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000465417926 1077573111 /nfs/dbraw/zinc/57/31/11/1077573111.db2.gz RJKYAMYXFYBDBV-CQSZACIVSA-N 0 0 421.461 0.660 20 30 HCEDRN CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000465417941 1077573043 /nfs/dbraw/zinc/57/30/43/1077573043.db2.gz RMZXSWYHBYSAOR-CYBMUJFWSA-N 0 0 407.434 0.384 20 30 HCEDRN CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000465417942 1077573447 /nfs/dbraw/zinc/57/34/47/1077573447.db2.gz RMZXSWYHBYSAOR-ZDUSSCGKSA-N 0 0 407.434 0.384 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000465417997 1077573507 /nfs/dbraw/zinc/57/35/07/1077573507.db2.gz SAYALTRSLUGBJK-AWEZNQCLSA-N 0 0 421.461 0.726 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000465417998 1077573316 /nfs/dbraw/zinc/57/33/16/1077573316.db2.gz SAYALTRSLUGBJK-CQSZACIVSA-N 0 0 421.461 0.726 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000465418105 1077572743 /nfs/dbraw/zinc/57/27/43/1077572743.db2.gz SCLKPPWRKFBPDY-CYBMUJFWSA-N 0 0 419.445 0.909 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000465418106 1077572662 /nfs/dbraw/zinc/57/26/62/1077572662.db2.gz SCLKPPWRKFBPDY-ZDUSSCGKSA-N 0 0 419.445 0.909 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000465418306 1077572259 /nfs/dbraw/zinc/57/22/59/1077572259.db2.gz SWPFOJITYNLZGB-LLVKDONJSA-N 0 0 411.397 0.262 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000465418307 1077572127 /nfs/dbraw/zinc/57/21/27/1077572127.db2.gz SWPFOJITYNLZGB-NSHDSACASA-N 0 0 411.397 0.262 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000465418323 1077571302 /nfs/dbraw/zinc/57/13/02/1077571302.db2.gz SZQAQKPPHJIYQS-HNNXBMFYSA-N 0 0 416.445 1.210 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000465418324 1077571282 /nfs/dbraw/zinc/57/12/82/1077571282.db2.gz SZQAQKPPHJIYQS-OAHLLOKOSA-N 0 0 416.445 1.210 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000465418861 1077586142 /nfs/dbraw/zinc/58/61/42/1077586142.db2.gz VIACEYRIMMYBMM-GFCCVEGCSA-N 0 0 421.417 0.469 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000465418862 1077586222 /nfs/dbraw/zinc/58/62/22/1077586222.db2.gz VIACEYRIMMYBMM-LBPRGKRZSA-N 0 0 421.417 0.469 20 30 HCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC000465418921 1077576262 /nfs/dbraw/zinc/57/62/62/1077576262.db2.gz DQPATUJZGMHJJX-GDBMZVCRSA-N 0 0 422.507 0.375 20 30 HCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC000465418922 1077576306 /nfs/dbraw/zinc/57/63/06/1077576306.db2.gz DQPATUJZGMHJJX-GOEBONIOSA-N 0 0 422.507 0.375 20 30 HCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000465418923 1077576157 /nfs/dbraw/zinc/57/61/57/1077576157.db2.gz DQPATUJZGMHJJX-HOCLYGCPSA-N 0 0 422.507 0.375 20 30 HCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000465418924 1077576233 /nfs/dbraw/zinc/57/62/33/1077576233.db2.gz DQPATUJZGMHJJX-ZBFHGGJFSA-N 0 0 422.507 0.375 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000465419025 1077585847 /nfs/dbraw/zinc/58/58/47/1077585847.db2.gz ABBCTMDCTKPMTQ-CYBMUJFWSA-N 0 0 407.434 0.052 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000465419026 1077585750 /nfs/dbraw/zinc/58/57/50/1077585750.db2.gz ABBCTMDCTKPMTQ-ZDUSSCGKSA-N 0 0 407.434 0.052 20 30 HCEDRN CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000465419199 1077573381 /nfs/dbraw/zinc/57/33/81/1077573381.db2.gz WGCCPMRWLPZAQX-CYBMUJFWSA-N 0 0 407.434 0.982 20 30 HCEDRN CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000465419200 1077573344 /nfs/dbraw/zinc/57/33/44/1077573344.db2.gz WGCCPMRWLPZAQX-ZDUSSCGKSA-N 0 0 407.434 0.982 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000465420855 1077579368 /nfs/dbraw/zinc/57/93/68/1077579368.db2.gz JLCLSTKBSUCHSG-GFCCVEGCSA-N 0 0 421.417 0.355 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000465420856 1077579283 /nfs/dbraw/zinc/57/92/83/1077579283.db2.gz JLCLSTKBSUCHSG-LBPRGKRZSA-N 0 0 421.417 0.355 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000465421621 1077592349 /nfs/dbraw/zinc/59/23/49/1077592349.db2.gz LPWLWIOKDVMITC-CYBMUJFWSA-N 0 0 404.434 0.911 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000465421622 1077592370 /nfs/dbraw/zinc/59/23/70/1077592370.db2.gz LPWLWIOKDVMITC-ZDUSSCGKSA-N 0 0 404.434 0.911 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000465422026 1077593538 /nfs/dbraw/zinc/59/35/38/1077593538.db2.gz MQRRDKWPMBSGSZ-AWEZNQCLSA-N 0 0 421.461 0.726 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000465422027 1077593727 /nfs/dbraw/zinc/59/37/27/1077593727.db2.gz MQRRDKWPMBSGSZ-CQSZACIVSA-N 0 0 421.461 0.726 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000465422112 1077593685 /nfs/dbraw/zinc/59/36/85/1077593685.db2.gz IXVPITMMFJOMFP-AWEZNQCLSA-N 0 0 405.462 0.969 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000465422113 1077593473 /nfs/dbraw/zinc/59/34/73/1077593473.db2.gz IXVPITMMFJOMFP-CQSZACIVSA-N 0 0 405.462 0.969 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000465422502 1077594404 /nfs/dbraw/zinc/59/44/04/1077594404.db2.gz KAQIYRHRZJWKGF-GFCCVEGCSA-N 0 0 405.418 0.519 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000465422503 1077594526 /nfs/dbraw/zinc/59/45/26/1077594526.db2.gz KAQIYRHRZJWKGF-LBPRGKRZSA-N 0 0 405.418 0.519 20 30 HCEDRN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000465422504 1077594536 /nfs/dbraw/zinc/59/45/36/1077594536.db2.gz KBAZTYBITACWJL-CYBMUJFWSA-N 0 0 407.434 0.431 20 30 HCEDRN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000465422505 1077594373 /nfs/dbraw/zinc/59/43/73/1077594373.db2.gz KBAZTYBITACWJL-ZDUSSCGKSA-N 0 0 407.434 0.431 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000465422959 1077593937 /nfs/dbraw/zinc/59/39/37/1077593937.db2.gz PMSBSCOQBJXVJM-AWEZNQCLSA-N 0 0 417.433 0.605 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000465422960 1077594108 /nfs/dbraw/zinc/59/41/08/1077594108.db2.gz PMSBSCOQBJXVJM-CQSZACIVSA-N 0 0 417.433 0.605 20 30 HCEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000465423653 1077600990 /nfs/dbraw/zinc/60/09/90/1077600990.db2.gz NMEFIGOFUVBEEZ-KBPBESRZSA-N 0 0 408.480 0.730 20 30 HCEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000465423654 1077601611 /nfs/dbraw/zinc/60/16/11/1077601611.db2.gz NMEFIGOFUVBEEZ-KGLIPLIRSA-N 0 0 408.480 0.730 20 30 HCEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000465423655 1077601944 /nfs/dbraw/zinc/60/19/44/1077601944.db2.gz NMEFIGOFUVBEEZ-UONOGXRCSA-N 0 0 408.480 0.730 20 30 HCEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000465423656 1077601821 /nfs/dbraw/zinc/60/18/21/1077601821.db2.gz NMEFIGOFUVBEEZ-ZIAGYGMSSA-N 0 0 408.480 0.730 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000465424540 1077604603 /nfs/dbraw/zinc/60/46/03/1077604603.db2.gz UJVBDVMORGRKKZ-LLVKDONJSA-N 0 0 411.397 0.262 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000465424541 1077605581 /nfs/dbraw/zinc/60/55/81/1077605581.db2.gz UJVBDVMORGRKKZ-NSHDSACASA-N 0 0 411.397 0.262 20 30 HCEDRN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000465424558 1077605547 /nfs/dbraw/zinc/60/55/47/1077605547.db2.gz UOIWHLLIBAVLEM-AWEZNQCLSA-N 0 0 421.461 0.692 20 30 HCEDRN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000465424559 1077605359 /nfs/dbraw/zinc/60/53/59/1077605359.db2.gz UOIWHLLIBAVLEM-CQSZACIVSA-N 0 0 421.461 0.692 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000465424699 1077604667 /nfs/dbraw/zinc/60/46/67/1077604667.db2.gz PMFJRPXGWBEDPE-AWEZNQCLSA-N 0 0 417.433 0.605 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000465424701 1077604590 /nfs/dbraw/zinc/60/45/90/1077604590.db2.gz PMFJRPXGWBEDPE-CQSZACIVSA-N 0 0 417.433 0.605 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000465426263 1077619085 /nfs/dbraw/zinc/61/90/85/1077619085.db2.gz WROHMMCPOZCRFW-CYBMUJFWSA-N 0 0 419.445 0.909 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000465426265 1077619242 /nfs/dbraw/zinc/61/92/42/1077619242.db2.gz WROHMMCPOZCRFW-ZDUSSCGKSA-N 0 0 419.445 0.909 20 30 HCEDRN 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1074540649 /nfs/dbraw/zinc/54/06/49/1074540649.db2.gz LWLIUGQEMMXPIN-UHFFFAOYSA-N 0 0 424.479 0.929 20 30 HCEDRN CCOC(=O)[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCOCC1 ZINC000534017846 1074538402 /nfs/dbraw/zinc/53/84/02/1074538402.db2.gz FPVZKNBQFHORSQ-KRWDZBQOSA-N 0 0 423.491 0.885 20 30 HCEDRN CCOC(=O)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCOCC1 ZINC000534017847 1074538511 /nfs/dbraw/zinc/53/85/11/1074538511.db2.gz FPVZKNBQFHORSQ-QGZVFWFLSA-N 0 0 423.491 0.885 20 30 HCEDRN CCOC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 ZINC000534017931 1074538418 /nfs/dbraw/zinc/53/84/18/1074538418.db2.gz KUINIGZDSQHGLN-CXAGYDPISA-N 0 0 423.491 0.700 20 30 HCEDRN CCOC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 ZINC000534017932 1074538481 /nfs/dbraw/zinc/53/84/81/1074538481.db2.gz KUINIGZDSQHGLN-DYVFJYSZSA-N 0 0 423.491 0.700 20 30 HCEDRN CCOC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 ZINC000534017933 1074538534 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CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 ZINC000539749214 1075449513 /nfs/dbraw/zinc/44/95/13/1075449513.db2.gz AXZSHXNYAWDLHY-UHFFFAOYSA-N 0 0 411.915 0.462 20 30 HCEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CC(N)=O ZINC000539770132 1075457728 /nfs/dbraw/zinc/45/77/28/1075457728.db2.gz TWCZAJLJMPCFJC-LLVKDONJSA-N 0 0 401.463 0.961 20 30 HCEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CC(N)=O ZINC000539770133 1075457638 /nfs/dbraw/zinc/45/76/38/1075457638.db2.gz TWCZAJLJMPCFJC-NSHDSACASA-N 0 0 401.463 0.961 20 30 HCEDRN Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c1=O ZINC000539770379 1075457729 /nfs/dbraw/zinc/45/77/29/1075457729.db2.gz SJSYIJRVEJVSHG-UHFFFAOYSA-N 0 0 401.463 0.961 20 30 HCEDRN Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O ZINC000539770395 1075457547 /nfs/dbraw/zinc/45/75/47/1075457547.db2.gz WORRIRMOQQVQCY-UHFFFAOYSA-N 0 0 416.478 0.118 20 30 HCEDRN COC(=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H]1C ZINC000539772490 1075458195 /nfs/dbraw/zinc/45/81/95/1075458195.db2.gz FNTGGTJNYGZCFN-HNNXBMFYSA-N 0 0 422.507 0.588 20 30 HCEDRN COC(=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1C ZINC000539772491 1075458033 /nfs/dbraw/zinc/45/80/33/1075458033.db2.gz FNTGGTJNYGZCFN-OAHLLOKOSA-N 0 0 422.507 0.588 20 30 HCEDRN CC(C)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000539789047 1075465900 /nfs/dbraw/zinc/46/59/00/1075465900.db2.gz NYHSETXEIZBTEQ-UHFFFAOYSA-N 0 0 400.526 0.697 20 30 HCEDRN N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c[nH]1 ZINC000539805142 1075469282 /nfs/dbraw/zinc/46/92/82/1075469282.db2.gz CLSJKOOJDZREMG-UHFFFAOYSA-N 0 0 402.432 0.804 20 30 HCEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)cc1[N+](=O)[O-] ZINC000539805483 1075469201 /nfs/dbraw/zinc/46/92/01/1075469201.db2.gz ONWDRGYDEYTUEF-UHFFFAOYSA-N 0 0 419.419 0.950 20 30 HCEDRN N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c[nH]1 ZINC000539806325 1075469721 /nfs/dbraw/zinc/46/97/21/1075469721.db2.gz OZKMHHMZBBRNEB-UHFFFAOYSA-N 0 0 400.420 0.615 20 30 HCEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)NCC)c3ccccc3n2)C1=O ZINC000539816744 1075472578 /nfs/dbraw/zinc/47/25/78/1075472578.db2.gz RUWGWQJBGFFRFQ-UHFFFAOYSA-N 0 0 409.402 0.900 20 30 HCEDRN CCN(C[C@H](C)C#N)C(=O)Cn1c(=O)c(I)cn(C)c1=O ZINC000539856524 1075489982 /nfs/dbraw/zinc/48/99/82/1075489982.db2.gz WNBPJPPACDWOLG-SECBINFHSA-N 0 0 404.208 0.160 20 30 HCEDRN CCN(C[C@@H](C)C#N)C(=O)Cn1c(=O)c(I)cn(C)c1=O ZINC000539856532 1075489923 /nfs/dbraw/zinc/48/99/23/1075489923.db2.gz WNBPJPPACDWOLG-VIFPVBQESA-N 0 0 404.208 0.160 20 30 HCEDRN COc1ccc(CCNS(=O)(=O)Cc2cccc(C#N)c2)cc1S(N)(=O)=O ZINC000539857832 1075490354 /nfs/dbraw/zinc/49/03/54/1075490354.db2.gz ABORKWJTGDRYGL-UHFFFAOYSA-N 0 0 409.489 0.876 20 30 HCEDRN COc1ccc(CCNS(=O)(=O)c2ccc(C#N)cc2F)cc1S(N)(=O)=O ZINC000539858816 1075490865 /nfs/dbraw/zinc/49/08/65/1075490865.db2.gz PHKSDQHXAPKHBP-UHFFFAOYSA-N 0 0 413.452 0.874 20 30 HCEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)OC)CC2)cc1 ZINC000539866364 1075497037 /nfs/dbraw/zinc/49/70/37/1075497037.db2.gz GKRCRKFBJZOUPX-UHFFFAOYSA-N 0 0 404.423 0.459 20 30 HCEDRN COc1ccc(CCNC(=O)C(=O)Nc2cccc(C)c2C#N)cc1S(N)(=O)=O ZINC000539867090 1075497802 /nfs/dbraw/zinc/49/78/02/1075497802.db2.gz NUTIOUNBBDQCOK-UHFFFAOYSA-N 0 0 416.459 0.820 20 30 HCEDRN CS(=O)(=O)N1CCN(CC(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)CC1 ZINC000539885362 1075502406 /nfs/dbraw/zinc/50/24/06/1075502406.db2.gz JIJVRENPRUPTHZ-UHFFFAOYSA-N 0 0 402.480 0.142 20 30 HCEDRN COc1ccc(CCNC(=O)COc2ccc(C#N)cc2OC)cc1S(N)(=O)=O ZINC000539907162 1075508490 /nfs/dbraw/zinc/50/84/90/1075508490.db2.gz ORKMHZSAMMPKTR-UHFFFAOYSA-N 0 0 419.459 0.961 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000539909048 1075509297 /nfs/dbraw/zinc/50/92/97/1075509297.db2.gz RMLWRQUUYLCPCR-BEFAXECRSA-N 0 0 415.523 0.789 20 30 HCEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000539909049 1075509265 /nfs/dbraw/zinc/50/92/65/1075509265.db2.gz RMLWRQUUYLCPCR-DNVCBOLYSA-N 0 0 415.523 0.789 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000539909050 1075509242 /nfs/dbraw/zinc/50/92/42/1075509242.db2.gz RMLWRQUUYLCPCR-HNAYVOBHSA-N 0 0 415.523 0.789 20 30 HCEDRN C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000539909051 1075509307 /nfs/dbraw/zinc/50/93/07/1075509307.db2.gz RMLWRQUUYLCPCR-KXBFYZLASA-N 0 0 415.523 0.789 20 30 HCEDRN CNc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000539925469 1075515854 /nfs/dbraw/zinc/51/58/54/1075515854.db2.gz FSIXFOQGMBBEIK-UHFFFAOYSA-N 0 0 413.459 0.973 20 30 HCEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1C1CC1 ZINC000539940229 1075516638 /nfs/dbraw/zinc/51/66/38/1075516638.db2.gz YTUQEHAFTJDKTK-UHFFFAOYSA-N 0 0 400.416 0.411 20 30 HCEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1C ZINC000539941586 1075516610 /nfs/dbraw/zinc/51/66/10/1075516610.db2.gz JPGOGGUXFGZBSR-UHFFFAOYSA-N 0 0 400.416 0.169 20 30 HCEDRN CCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])c(OC)c2)sc1=C(C#N)C(=O)NC ZINC000539942218 1075517394 /nfs/dbraw/zinc/51/73/94/1075517394.db2.gz KROBOCPJDMZZGP-UHFFFAOYSA-N 0 0 402.432 0.486 20 30 HCEDRN C=CCn1c(=O)c(=Cc2ccc([N+](=O)[O-])c(OC)c2)sc1=C(C#N)C(=O)NC ZINC000539942906 1075517400 /nfs/dbraw/zinc/51/74/00/1075517400.db2.gz ZKUXGVZKCUQWKK-UHFFFAOYSA-N 0 0 400.416 0.262 20 30 HCEDRN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2coc(S(N)(=O)=O)c2)cc1 ZINC000539950012 1075519150 /nfs/dbraw/zinc/51/91/50/1075519150.db2.gz LEYDFVJOKJJJSA-CYBMUJFWSA-N 0 0 406.445 0.952 20 30 HCEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2coc(S(N)(=O)=O)c2)cc1 ZINC000539950013 1075519091 /nfs/dbraw/zinc/51/90/91/1075519091.db2.gz LEYDFVJOKJJJSA-ZDUSSCGKSA-N 0 0 406.445 0.952 20 30 HCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)c2ccc(Br)cc2)C1=O ZINC000539986763 1075529076 /nfs/dbraw/zinc/52/90/76/1075529076.db2.gz YWNFYGQYUIPLMI-GFCCVEGCSA-N 0 0 410.224 0.576 20 30 HCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1=O ZINC000539986764 1075529104 /nfs/dbraw/zinc/52/91/04/1075529104.db2.gz YWNFYGQYUIPLMI-LBPRGKRZSA-N 0 0 410.224 0.576 20 30 HCEDRN N#Cc1nccn1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000539995580 1075531114 /nfs/dbraw/zinc/53/11/14/1075531114.db2.gz BFFIPVFFWOPSIK-UHFFFAOYSA-N 0 0 404.408 0.196 20 30 HCEDRN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccnc3C#N)CC2)cc1 ZINC000539998347 1075531389 /nfs/dbraw/zinc/53/13/89/1075531389.db2.gz CQZXJPDHQSGEQD-UHFFFAOYSA-N 0 0 401.448 0.490 20 30 HCEDRN CCNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000540004103 1075530369 /nfs/dbraw/zinc/53/03/69/1075530369.db2.gz RGBMRVQHGZDTEF-INIZCTEOSA-N 0 0 402.480 0.696 20 30 HCEDRN CCNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000540004104 1075530351 /nfs/dbraw/zinc/53/03/51/1075530351.db2.gz RGBMRVQHGZDTEF-MRXNPFEDSA-N 0 0 402.480 0.696 20 30 HCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)C1=O ZINC000540006848 1075530749 /nfs/dbraw/zinc/53/07/49/1075530749.db2.gz DDFBVTVIEFETHR-JTQLQIEISA-N 0 0 406.345 0.163 20 30 HCEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C1=O ZINC000540006852 1075530813 /nfs/dbraw/zinc/53/08/13/1075530813.db2.gz DDFBVTVIEFETHR-SNVBAGLBSA-N 0 0 406.345 0.163 20 30 HCEDRN CN(CCC#N)C(=O)CCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000540010794 1075536613 /nfs/dbraw/zinc/53/66/13/1075536613.db2.gz WIDWNMQKOFITSP-UHFFFAOYSA-N 0 0 422.507 0.526 20 30 HCEDRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000540016772 1075533258 /nfs/dbraw/zinc/53/32/58/1075533258.db2.gz CXQJUNYGQRPECB-INIZCTEOSA-N 0 0 408.480 0.848 20 30 HCEDRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000540016774 1075533162 /nfs/dbraw/zinc/53/31/62/1075533162.db2.gz CXQJUNYGQRPECB-MRXNPFEDSA-N 0 0 408.480 0.848 20 30 HCEDRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 ZINC000540016812 1075533178 /nfs/dbraw/zinc/53/31/78/1075533178.db2.gz DDIOFNAUIRZEJB-AWEZNQCLSA-N 0 0 408.480 0.824 20 30 HCEDRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 ZINC000540016815 1075533154 /nfs/dbraw/zinc/53/31/54/1075533154.db2.gz DDIOFNAUIRZEJB-CQSZACIVSA-N 0 0 408.480 0.824 20 30 HCEDRN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 ZINC000540022470 1075539363 /nfs/dbraw/zinc/53/93/63/1075539363.db2.gz CDFJODWGSBFQKA-HNNXBMFYSA-N 0 0 414.509 0.032 20 30 HCEDRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 ZINC000540022472 1075539388 /nfs/dbraw/zinc/53/93/88/1075539388.db2.gz CDFJODWGSBFQKA-OAHLLOKOSA-N 0 0 414.509 0.032 20 30 HCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)cc1 ZINC000540023611 1075539778 /nfs/dbraw/zinc/53/97/78/1075539778.db2.gz MEFCOBQDISZMDB-HNNXBMFYSA-N 0 0 408.480 0.081 20 30 HCEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 ZINC000540023616 1075539774 /nfs/dbraw/zinc/53/97/74/1075539774.db2.gz MEFCOBQDISZMDB-OAHLLOKOSA-N 0 0 408.480 0.081 20 30 HCEDRN 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0.897 20 30 HCEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 ZINC000603553006 1073561417 /nfs/dbraw/zinc/56/14/17/1073561417.db2.gz WGXDFRLIWUXEHR-UHFFFAOYSA-N 0 0 421.526 0.967 20 30 HCEDRN Cc1ccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NC2CC2)cc1 ZINC000603553007 1073561210 /nfs/dbraw/zinc/56/12/10/1073561210.db2.gz WIPYYXBMXLHQCJ-UHFFFAOYSA-N 0 0 405.483 0.723 20 30 HCEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1 ZINC000603553013 1073561238 /nfs/dbraw/zinc/56/12/38/1073561238.db2.gz ZOMXLAPBQXYILI-UHFFFAOYSA-N 0 0 423.498 0.207 20 30 HCEDRN CC1(C)NC(=O)N(CCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000603553074 1073560593 /nfs/dbraw/zinc/56/05/93/1073560593.db2.gz WGBCEQWDTTUJJY-UHFFFAOYSA-N 0 0 405.480 0.195 20 30 HCEDRN CC[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 ZINC000603553775 1073561779 /nfs/dbraw/zinc/56/17/79/1073561779.db2.gz WRQYFBZZVHRKBE-KRWDZBQOSA-N 0 0 406.508 0.502 20 30 HCEDRN CC[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 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CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609108094 1075540272 /nfs/dbraw/zinc/54/02/72/1075540272.db2.gz LZBQRNWKZPBZPH-WBVHZDCISA-N 0 0 404.492 0.289 20 30 HCEDRN N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000609108149 1075553818 /nfs/dbraw/zinc/55/38/18/1075553818.db2.gz OGFZNENOLLXKHK-DOTOQJQBSA-N 0 0 404.492 0.337 20 30 HCEDRN N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000609108150 1075553834 /nfs/dbraw/zinc/55/38/34/1075553834.db2.gz OGFZNENOLLXKHK-NVXWUHKLSA-N 0 0 404.492 0.337 20 30 HCEDRN N#Cc1ccc(N2CCC[C@H]2C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000609108151 1075553893 /nfs/dbraw/zinc/55/38/93/1075553893.db2.gz OGFZNENOLLXKHK-RDJZCZTQSA-N 0 0 404.492 0.337 20 30 HCEDRN N#Cc1ccc(N2CCC[C@H]2C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000609108152 1075553956 /nfs/dbraw/zinc/55/39/56/1075553956.db2.gz OGFZNENOLLXKHK-WBVHZDCISA-N 0 0 404.492 0.337 20 30 HCEDRN CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000609108440 1075558314 /nfs/dbraw/zinc/55/83/14/1075558314.db2.gz DMFWWKCWWYBSMZ-GOSISDBHSA-N 0 0 405.524 0.220 20 30 HCEDRN CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000609108441 1075558200 /nfs/dbraw/zinc/55/82/00/1075558200.db2.gz DMFWWKCWWYBSMZ-SFHVURJKSA-N 0 0 405.524 0.220 20 30 HCEDRN N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000609109528 1075572815 /nfs/dbraw/zinc/57/28/15/1075572815.db2.gz RGVYXLXSOGONMG-GOSISDBHSA-N 0 0 423.473 0.347 20 30 HCEDRN N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000609109531 1075572838 /nfs/dbraw/zinc/57/28/38/1075572838.db2.gz RGVYXLXSOGONMG-SFHVURJKSA-N 0 0 423.473 0.347 20 30 HCEDRN N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000609109930 1075574745 /nfs/dbraw/zinc/57/47/45/1075574745.db2.gz VPHAPVGKASCGLF-IBGZPJMESA-N 0 0 409.490 0.820 20 30 HCEDRN N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000609109932 1075574778 /nfs/dbraw/zinc/57/47/78/1075574778.db2.gz VPHAPVGKASCGLF-LJQANCHMSA-N 0 0 409.490 0.820 20 30 HCEDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000609126979 1075862342 /nfs/dbraw/zinc/86/23/42/1075862342.db2.gz JACGBYYXKBXRRE-GOSISDBHSA-N 0 0 401.442 0.473 20 30 HCEDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000609128586 1075880846 /nfs/dbraw/zinc/88/08/46/1075880846.db2.gz FEOYLSFLMBTZFW-FQEVSTJZSA-N 0 0 411.506 0.720 20 30 HCEDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000609128587 1075880766 /nfs/dbraw/zinc/88/07/66/1075880766.db2.gz FEOYLSFLMBTZFW-HXUWFJFHSA-N 0 0 411.506 0.720 20 30 HCEDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000609128713 1075877569 /nfs/dbraw/zinc/87/75/69/1075877569.db2.gz BCAUWDPVJDSMJF-GOSISDBHSA-N 0 0 401.442 0.473 20 30 HCEDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000609128714 1075877743 /nfs/dbraw/zinc/87/77/43/1075877743.db2.gz BCAUWDPVJDSMJF-SFHVURJKSA-N 0 0 401.442 0.473 20 30 HCEDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000609128955 1075879275 /nfs/dbraw/zinc/87/92/75/1075879275.db2.gz YOMGOZPYRGLGAL-MOPGFXCFSA-N 0 0 415.469 0.662 20 30 HCEDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000609128956 1075879251 /nfs/dbraw/zinc/87/92/51/1075879251.db2.gz YOMGOZPYRGLGAL-OALUTQOASA-N 0 0 415.469 0.662 20 30 HCEDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000609128957 1075879283 /nfs/dbraw/zinc/87/92/83/1075879283.db2.gz YOMGOZPYRGLGAL-RBUKOAKNSA-N 0 0 415.469 0.662 20 30 HCEDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000609128958 1075879257 /nfs/dbraw/zinc/87/92/57/1075879257.db2.gz YOMGOZPYRGLGAL-RTBURBONSA-N 0 0 415.469 0.662 20 30 HCEDRN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000609153442 1077267302 /nfs/dbraw/zinc/26/73/02/1077267302.db2.gz JGBULHHVTHFCLK-INIZCTEOSA-N 0 0 411.466 0.004 20 30 HCEDRN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000609153444 1077267223 /nfs/dbraw/zinc/26/72/23/1077267223.db2.gz JGBULHHVTHFCLK-MRXNPFEDSA-N 0 0 411.466 0.004 20 30 HCEDRN COCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@H]1CCS(=O)(=O)C1 ZINC000609155093 1077271480 /nfs/dbraw/zinc/27/14/80/1077271480.db2.gz ILWDIBTTZYDYTB-INIZCTEOSA-N 0 0 419.507 0.813 20 30 HCEDRN COCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000609155095 1077271553 /nfs/dbraw/zinc/27/15/53/1077271553.db2.gz ILWDIBTTZYDYTB-MRXNPFEDSA-N 0 0 419.507 0.813 20 30 HCEDRN Cc1ccc(C(=O)NCCNC(=O)c2ccccc2)cc1S(=O)(=O)NCC#N ZINC000609156628 1077288942 /nfs/dbraw/zinc/28/89/42/1077288942.db2.gz WFXNTVGKYDQMPL-UHFFFAOYSA-N 0 0 400.460 0.957 20 30 HCEDRN Cc1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1S(=O)(=O)NCC#N ZINC000609156815 1077288064 /nfs/dbraw/zinc/28/80/64/1077288064.db2.gz YLAYCGQHKBAHFO-UHFFFAOYSA-N 0 0 422.488 0.374 20 30 HCEDRN Cn1c2ccc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)cc2n(C)c1=O ZINC000609157898 1077290308 /nfs/dbraw/zinc/29/03/08/1077290308.db2.gz FDHKHPLUISKBMP-UHFFFAOYSA-N 0 0 407.496 0.114 20 30 HCEDRN CC(=O)NCCc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)s1 ZINC000609157912 1077290667 /nfs/dbraw/zinc/29/06/67/1077290667.db2.gz ILLCWKFRZOWMEB-UHFFFAOYSA-N 0 0 414.553 0.663 20 30 HCEDRN CS(=O)(=O)c1ccccc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 ZINC000609157918 1077290655 /nfs/dbraw/zinc/29/06/55/1077290655.db2.gz JNDCWYYUQHNQGP-UHFFFAOYSA-N 0 0 401.510 0.327 20 30 HCEDRN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000609157920 1077290647 /nfs/dbraw/zinc/29/06/47/1077290647.db2.gz JZUFYOFRSIARED-INIZCTEOSA-N 0 0 402.517 0.054 20 30 HCEDRN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000609157921 1077290525 /nfs/dbraw/zinc/29/05/25/1077290525.db2.gz JZUFYOFRSIARED-MRXNPFEDSA-N 0 0 402.517 0.054 20 30 HCEDRN CC(=O)NCc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)s1 ZINC000609157947 1077289827 /nfs/dbraw/zinc/28/98/27/1077289827.db2.gz QUZDTLPHQKCEDS-UHFFFAOYSA-N 0 0 400.526 0.621 20 30 HCEDRN COc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1NC(C)=O ZINC000609157969 1077290069 /nfs/dbraw/zinc/29/00/69/1077290069.db2.gz WVGSFTWBBFRLRZ-UHFFFAOYSA-N 0 0 410.496 0.890 20 30 HCEDRN C=CCn1c2nnc(SCC(=O)N3CCS(=O)CC3)n2c2ccccc2c1=O ZINC000609158899 1077294924 /nfs/dbraw/zinc/29/49/24/1077294924.db2.gz XQBZCJPKSMZYRJ-UHFFFAOYSA-N 0 0 417.516 0.913 20 30 HCEDRN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000609159265 1077316458 /nfs/dbraw/zinc/31/64/58/1077316458.db2.gz FVONVQUTNAXLEV-GOSISDBHSA-N 0 0 417.477 0.890 20 30 HCEDRN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000609159266 1077317290 /nfs/dbraw/zinc/31/72/90/1077317290.db2.gz FVONVQUTNAXLEV-SFHVURJKSA-N 0 0 417.477 0.890 20 30 HCEDRN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000609159636 1077307861 /nfs/dbraw/zinc/30/78/61/1077307861.db2.gz VZFKELUUPZAWLY-GOSISDBHSA-N 0 0 417.477 0.890 20 30 HCEDRN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000609159637 1077307663 /nfs/dbraw/zinc/30/76/63/1077307663.db2.gz VZFKELUUPZAWLY-SFHVURJKSA-N 0 0 417.477 0.890 20 30 HCEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2(C(=O)NC3CC3)CCC2)CC1 ZINC000609160219 1077322368 /nfs/dbraw/zinc/32/23/68/1077322368.db2.gz PPHOXMUIESLJFN-UHFFFAOYSA-N 0 0 416.503 0.840 20 30 HCEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(C(=O)NC4CC4)CCC3)CC2)cc1 ZINC000609160775 1077320249 /nfs/dbraw/zinc/32/02/49/1077320249.db2.gz OBNAHABDSUPWCZ-UHFFFAOYSA-N 0 0 416.503 0.840 20 30 HCEDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc2ccccc2n1CC#N ZINC000609161177 1077323090 /nfs/dbraw/zinc/32/30/90/1077323090.db2.gz MJGWBGPPRNMTGT-HNNXBMFYSA-N 0 0 402.476 0.930 20 30 HCEDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc2ccccc2n1CC#N ZINC000609161182 1077323585 /nfs/dbraw/zinc/32/35/85/1077323585.db2.gz MJGWBGPPRNMTGT-OAHLLOKOSA-N 0 0 402.476 0.930 20 30 HCEDRN N#CCn1c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc2ccccc21 ZINC000609161917 1077325676 /nfs/dbraw/zinc/32/56/76/1077325676.db2.gz WXJASYQMBPNXIL-UHFFFAOYSA-N 0 0 409.446 0.308 20 30 HCEDRN N#CCn1c(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc2ccccc21 ZINC000609162403 1077340479 /nfs/dbraw/zinc/34/04/79/1077340479.db2.gz LIGKNIARBXFOLV-UHFFFAOYSA-N 0 0 417.491 0.500 20 30 HCEDRN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000609163741 1077378135 /nfs/dbraw/zinc/37/81/35/1077378135.db2.gz PNRHURRTFZCMHB-UHFFFAOYSA-N 0 0 407.434 0.959 20 30 HCEDRN C=CCOCC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 ZINC000609163782 1077378291 /nfs/dbraw/zinc/37/82/91/1077378291.db2.gz YEVMTENHBXKWJQ-UHFFFAOYSA-N 0 0 400.453 0.719 20 30 HCEDRN N#CCn1c(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc2ccccc21 ZINC000609164890 1077406716 /nfs/dbraw/zinc/40/67/16/1077406716.db2.gz GZTRAMNRIXUUFI-UHFFFAOYSA-N 0 0 407.430 0.598 20 30 HCEDRN CNC(=O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000609169952 1077418101 /nfs/dbraw/zinc/41/81/01/1077418101.db2.gz IOSSRIWZDQNFRS-KRWDZBQOSA-N 0 0 404.492 0.696 20 30 HCEDRN 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JQZIEDOUIWTLOP-HNNXBMFYSA-N 0 0 421.475 0.625 20 30 HCEDRN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000609268931 1078348476 /nfs/dbraw/zinc/34/84/76/1078348476.db2.gz JQZIEDOUIWTLOP-OAHLLOKOSA-N 0 0 421.475 0.625 20 30 HCEDRN CCCn1c(CCC(=O)N2CCO[C@H](C#N)C2)nc2cc(S(N)(=O)=O)ccc21 ZINC000609269109 1078348485 /nfs/dbraw/zinc/34/84/85/1078348485.db2.gz HBRBXLOLLVALOU-CYBMUJFWSA-N 0 0 405.480 0.777 20 30 HCEDRN CCCn1c(CCC(=O)N2CCO[C@@H](C#N)C2)nc2cc(S(N)(=O)=O)ccc21 ZINC000609269110 1078348498 /nfs/dbraw/zinc/34/84/98/1078348498.db2.gz HBRBXLOLLVALOU-ZDUSSCGKSA-N 0 0 405.480 0.777 20 30 HCEDRN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCO[C@@H](C#N)C2)c1 ZINC000609269367 1078351716 /nfs/dbraw/zinc/35/17/16/1078351716.db2.gz ZJCUJUIRANRZHN-AWEZNQCLSA-N 0 0 408.480 0.138 20 30 HCEDRN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCO[C@H](C#N)C2)c1 ZINC000609269371 1078351832 /nfs/dbraw/zinc/35/18/32/1078351832.db2.gz ZJCUJUIRANRZHN-CQSZACIVSA-N 0 0 408.480 0.138 20 30 HCEDRN N#C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCO1 ZINC000609269376 1078351838 /nfs/dbraw/zinc/35/18/38/1078351838.db2.gz OMXDRXPBBSXWMW-HNNXBMFYSA-N 0 0 421.475 0.609 20 30 HCEDRN N#C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCO1 ZINC000609269377 1078351770 /nfs/dbraw/zinc/35/17/70/1078351770.db2.gz OMXDRXPBBSXWMW-OAHLLOKOSA-N 0 0 421.475 0.609 20 30 HCEDRN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000609276675 1078394824 /nfs/dbraw/zinc/39/48/24/1078394824.db2.gz NRTYPPWZMSBYAP-LLVKDONJSA-N 0 0 423.476 0.167 20 30 HCEDRN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000609276683 1078394849 /nfs/dbraw/zinc/39/48/49/1078394849.db2.gz NRTYPPWZMSBYAP-NSHDSACASA-N 0 0 423.476 0.167 20 30 HCEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC000609279631 1078431071 /nfs/dbraw/zinc/43/10/71/1078431071.db2.gz ZHJWVYCOROJRLP-UHFFFAOYSA-N 0 0 400.439 0.794 20 30 HCEDRN CS(=O)(=O)c1ccc(OCCNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000609280326 1078452506 /nfs/dbraw/zinc/45/25/06/1078452506.db2.gz AGEQNRFEKHQMSP-UHFFFAOYSA-N 0 0 401.444 0.887 20 30 HCEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCO[C@@H](C#N)C2)c1 ZINC000609280357 1078457939 /nfs/dbraw/zinc/45/79/39/1078457939.db2.gz DZWCWQQPSRGSRQ-HNNXBMFYSA-N 0 0 408.480 0.198 20 30 HCEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCO[C@H](C#N)C2)c1 ZINC000609280358 1078458199 /nfs/dbraw/zinc/45/81/99/1078458199.db2.gz DZWCWQQPSRGSRQ-OAHLLOKOSA-N 0 0 408.480 0.198 20 30 HCEDRN COc1ccc(C(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)NCc1ccccn1 ZINC000609280370 1078458261 /nfs/dbraw/zinc/45/82/61/1078458261.db2.gz GRBZBHGEJDGTGT-INIZCTEOSA-N 0 0 416.459 0.933 20 30 HCEDRN COc1ccc(C(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)NCc1ccccn1 ZINC000609280371 1078458583 /nfs/dbraw/zinc/45/85/83/1078458583.db2.gz GRBZBHGEJDGTGT-MRXNPFEDSA-N 0 0 416.459 0.933 20 30 HCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCO[C@H](C#N)C1 ZINC000609281144 1078447335 /nfs/dbraw/zinc/44/73/35/1078447335.db2.gz JLQISJVPXCIIOD-CYBMUJFWSA-N 0 0 410.452 0.472 20 30 HCEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000609281145 1078447352 /nfs/dbraw/zinc/44/73/52/1078447352.db2.gz JLQISJVPXCIIOD-ZDUSSCGKSA-N 0 0 410.452 0.472 20 30 HCEDRN CCOc1ccc(NC(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000609281547 1078468907 /nfs/dbraw/zinc/46/89/07/1078468907.db2.gz PAPIGPNTVSDIRC-HNNXBMFYSA-N 0 0 424.479 0.862 20 30 HCEDRN CCOc1ccc(NC(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000609281550 1078468948 /nfs/dbraw/zinc/46/89/48/1078468948.db2.gz PAPIGPNTVSDIRC-OAHLLOKOSA-N 0 0 424.479 0.862 20 30 HCEDRN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000609282196 1078463610 /nfs/dbraw/zinc/46/36/10/1078463610.db2.gz KFWWXGOVLLBTMM-GOSISDBHSA-N 0 0 400.483 0.653 20 30 HCEDRN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000609282197 1078463563 /nfs/dbraw/zinc/46/35/63/1078463563.db2.gz KFWWXGOVLLBTMM-SFHVURJKSA-N 0 0 400.483 0.653 20 30 HCEDRN CN1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCO[C@@H](C#N)C3)c2)CC1 ZINC000609282219 1078463568 /nfs/dbraw/zinc/46/35/68/1078463568.db2.gz NHLVALJQRAGXNS-INIZCTEOSA-N 0 0 407.496 0.769 20 30 HCEDRN CN1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCO[C@H](C#N)C3)c2)CC1 ZINC000609282220 1078464047 /nfs/dbraw/zinc/46/40/47/1078464047.db2.gz NHLVALJQRAGXNS-MRXNPFEDSA-N 0 0 407.496 0.769 20 30 HCEDRN N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CCO1 ZINC000609282593 1078475352 /nfs/dbraw/zinc/47/53/52/1078475352.db2.gz ALHVCPKUKJWDAO-MRXNPFEDSA-N 0 0 402.476 0.494 20 30 HCEDRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC000609282599 1078475866 /nfs/dbraw/zinc/47/58/66/1078475866.db2.gz AXLUBKYQVUGZMR-HNNXBMFYSA-N 0 0 402.476 0.874 20 30 HCEDRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC000609282602 1078475753 /nfs/dbraw/zinc/47/57/53/1078475753.db2.gz AXLUBKYQVUGZMR-OAHLLOKOSA-N 0 0 402.476 0.874 20 30 HCEDRN N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CCO1 ZINC000609282658 1078488074 /nfs/dbraw/zinc/48/80/74/1078488074.db2.gz FGLWXUFMQLQVMV-CYBMUJFWSA-N 0 0 401.448 0.822 20 30 HCEDRN N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CCO1 ZINC000609282660 1078488113 /nfs/dbraw/zinc/48/81/13/1078488113.db2.gz FGLWXUFMQLQVMV-ZDUSSCGKSA-N 0 0 401.448 0.822 20 30 HCEDRN N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)CCO1 ZINC000609282710 1078472868 /nfs/dbraw/zinc/47/28/68/1078472868.db2.gz ICZITNSPYXMHOJ-CRAIPNDOSA-N 0 0 412.446 0.544 20 30 HCEDRN N#C[C@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)CCO1 ZINC000609282711 1078472960 /nfs/dbraw/zinc/47/29/60/1078472960.db2.gz ICZITNSPYXMHOJ-MAUKXSAKSA-N 0 0 412.446 0.544 20 30 HCEDRN N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)CCO1 ZINC000609282712 1078473096 /nfs/dbraw/zinc/47/30/96/1078473096.db2.gz ICZITNSPYXMHOJ-QAPCUYQASA-N 0 0 412.446 0.544 20 30 HCEDRN N#C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)CCO1 ZINC000609282713 1078472906 /nfs/dbraw/zinc/47/29/06/1078472906.db2.gz ICZITNSPYXMHOJ-YJBOKZPZSA-N 0 0 412.446 0.544 20 30 HCEDRN N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CCO1 ZINC000609282747 1078472936 /nfs/dbraw/zinc/47/29/36/1078472936.db2.gz LCVFXUVNFPZXGF-INIZCTEOSA-N 0 0 406.402 0.234 20 30 HCEDRN N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CCO1 ZINC000609282748 1078472888 /nfs/dbraw/zinc/47/28/88/1078472888.db2.gz LCVFXUVNFPZXGF-MRXNPFEDSA-N 0 0 406.402 0.234 20 30 HCEDRN CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 ZINC000609282757 1078473083 /nfs/dbraw/zinc/47/30/83/1078473083.db2.gz MIYDHBFPTMETPT-HNNXBMFYSA-N 0 0 408.480 0.594 20 30 HCEDRN CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 ZINC000609282758 1078473557 /nfs/dbraw/zinc/47/35/57/1078473557.db2.gz MIYDHBFPTMETPT-OAHLLOKOSA-N 0 0 408.480 0.594 20 30 HCEDRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC000609282795 1078474477 /nfs/dbraw/zinc/47/44/77/1078474477.db2.gz SCNJQBNJRYMSKS-AWEZNQCLSA-N 0 0 408.480 0.713 20 30 HCEDRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC000609282796 1078474422 /nfs/dbraw/zinc/47/44/22/1078474422.db2.gz SCNJQBNJRYMSKS-CQSZACIVSA-N 0 0 408.480 0.713 20 30 HCEDRN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC000609282863 1078471563 /nfs/dbraw/zinc/47/15/63/1078471563.db2.gz ZJWIXQBXPODMAU-HNNXBMFYSA-N 0 0 420.491 0.357 20 30 HCEDRN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC000609282864 1078471517 /nfs/dbraw/zinc/47/15/17/1078471517.db2.gz ZJWIXQBXPODMAU-OAHLLOKOSA-N 0 0 420.491 0.357 20 30 HCEDRN N#C[C@@H]1CN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCO1 ZINC000609282973 1078471084 /nfs/dbraw/zinc/47/10/84/1078471084.db2.gz JWMTUGAIMNANAX-GOSISDBHSA-N 0 0 401.467 0.781 20 30 HCEDRN N#C[C@H]1CN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCO1 ZINC000609282976 1078471222 /nfs/dbraw/zinc/47/12/22/1078471222.db2.gz JWMTUGAIMNANAX-SFHVURJKSA-N 0 0 401.467 0.781 20 30 HCEDRN N#C[C@H]1CN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCO1 ZINC000609283005 1078471120 /nfs/dbraw/zinc/47/11/20/1078471120.db2.gz LWHXQIFIDPLPCF-CVEARBPZSA-N 0 0 408.480 0.578 20 30 HCEDRN N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1 ZINC000609283007 1078471072 /nfs/dbraw/zinc/47/10/72/1078471072.db2.gz NQRRPPOMUGWZJM-HNNXBMFYSA-N 0 0 406.464 0.551 20 30 HCEDRN N#C[C@H]1CN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCO1 ZINC000609283008 1078471237 /nfs/dbraw/zinc/47/12/37/1078471237.db2.gz LWHXQIFIDPLPCF-HOTGVXAUSA-N 0 0 408.480 0.578 20 30 HCEDRN N#C[C@@H]1CN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCO1 ZINC000609283009 1078470955 /nfs/dbraw/zinc/47/09/55/1078470955.db2.gz LWHXQIFIDPLPCF-HZPDHXFCSA-N 0 0 408.480 0.578 20 30 HCEDRN N#C[C@@H]1CN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCO1 ZINC000609283010 1078470985 /nfs/dbraw/zinc/47/09/85/1078470985.db2.gz LWHXQIFIDPLPCF-JKSUJKDBSA-N 0 0 408.480 0.578 20 30 HCEDRN N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1 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GUPUMJVCFDQWKB-UHFFFAOYSA-N 0 0 422.488 0.943 20 30 HCEDRN CS(=O)(=O)c1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 ZINC000918579959 1078472483 /nfs/dbraw/zinc/47/24/83/1078472483.db2.gz YXZOPBIHCATQIT-UHFFFAOYSA-N 0 0 408.461 0.552 20 30 HCEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000918581587 1078474455 /nfs/dbraw/zinc/47/44/55/1078474455.db2.gz NOTVINGWFSCRRW-AWEZNQCLSA-N 0 0 418.479 0.460 20 30 HCEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000918581588 1078474495 /nfs/dbraw/zinc/47/44/95/1078474495.db2.gz NOTVINGWFSCRRW-CQSZACIVSA-N 0 0 418.479 0.460 20 30 HCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1 ZINC000918587023 1078482312 /nfs/dbraw/zinc/48/23/12/1078482312.db2.gz ZHTITUHEQHZVIM-UHFFFAOYSA-N 0 0 422.463 0.804 20 30 HCEDRN CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000918587542 1078482356 /nfs/dbraw/zinc/48/23/56/1078482356.db2.gz BVHQOCPDVNAGQL-UHFFFAOYSA-N 0 0 410.452 0.660 20 30 HCEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1 ZINC000918587586 1078482148 /nfs/dbraw/zinc/48/21/48/1078482148.db2.gz HVKJXGKNSZADCK-UHFFFAOYSA-N 0 0 415.427 0.992 20 30 HCEDRN CC(C)CNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000918587962 1078482508 /nfs/dbraw/zinc/48/25/08/1078482508.db2.gz UCUFLDADKLBVMB-UHFFFAOYSA-N 0 0 410.452 0.517 20 30 HCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1C(=O)NC1CC1 ZINC000918593222 1078485965 /nfs/dbraw/zinc/48/59/65/1078485965.db2.gz ZGIHDJDOGJOCHO-HNNXBMFYSA-N 0 0 404.492 0.775 20 30 HCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000918593223 1078486041 /nfs/dbraw/zinc/48/60/41/1078486041.db2.gz ZGIHDJDOGJOCHO-OAHLLOKOSA-N 0 0 404.492 0.775 20 30 HCEDRN NC(=O)NC[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000918593618 1078485960 /nfs/dbraw/zinc/48/59/60/1078485960.db2.gz WTQGERNUKSSSIM-CYBMUJFWSA-N 0 0 407.496 0.412 20 30 HCEDRN NC(=O)NC[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000918593621 1078486037 /nfs/dbraw/zinc/48/60/37/1078486037.db2.gz WTQGERNUKSSSIM-ZDUSSCGKSA-N 0 0 407.496 0.412 20 30 HCEDRN N#CCOc1cccc(NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)c1 ZINC000918596367 1078486715 /nfs/dbraw/zinc/48/67/15/1078486715.db2.gz CQNMINFACQIXJW-UHFFFAOYSA-N 0 0 402.388 0.783 20 30 HCEDRN COCCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000918607773 1078488712 /nfs/dbraw/zinc/48/87/12/1078488712.db2.gz BXPXLXMAAUZUHJ-OBGWFSINSA-N 0 0 417.509 0.499 20 30 HCEDRN COCCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000918607774 1078488784 /nfs/dbraw/zinc/48/87/84/1078488784.db2.gz BXPXLXMAAUZUHJ-SDXDJHTJSA-N 0 0 417.509 0.499 20 30 HCEDRN CN(CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)S(C)(=O)=O ZINC000918608394 1078488698 /nfs/dbraw/zinc/48/86/98/1078488698.db2.gz JFESZRAWVAVPJQ-SAPNQHFASA-N 0 0 402.498 0.329 20 30 HCEDRN CN(CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)S(C)(=O)=O ZINC000918608397 1078488807 /nfs/dbraw/zinc/48/88/07/1078488807.db2.gz JFESZRAWVAVPJQ-VKAVYKQESA-N 0 0 402.498 0.329 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000918610621 1078490706 /nfs/dbraw/zinc/49/07/06/1078490706.db2.gz OHPWPIYZRLJESF-XSFVSMFZSA-N 0 0 405.436 0.400 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CC[C@H]2NC(=O)NC2=O)cc1 ZINC000918613758 1078493667 /nfs/dbraw/zinc/49/36/67/1078493667.db2.gz XAWXNELUULKRCX-NJZDQMEHSA-N 0 0 407.452 0.426 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 ZINC000918613759 1078493982 /nfs/dbraw/zinc/49/39/82/1078493982.db2.gz XAWXNELUULKRCX-NONDHBLVSA-N 0 0 407.452 0.426 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CC[C@H]2NC(=O)NC2=O)cc1 ZINC000918613760 1078493595 /nfs/dbraw/zinc/49/35/95/1078493595.db2.gz XAWXNELUULKRCX-SBGWBMIRSA-N 0 0 407.452 0.426 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 ZINC000918613761 1078493953 /nfs/dbraw/zinc/49/39/53/1078493953.db2.gz XAWXNELUULKRCX-UEMQISARSA-N 0 0 407.452 0.426 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)CNC2=O)cc1 ZINC000918613785 1078493902 /nfs/dbraw/zinc/49/39/02/1078493902.db2.gz XLVUUKLJMITMAP-QNGOZBTKSA-N 0 0 421.479 0.770 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)CNC2=O)cc1 ZINC000918613786 1078493718 /nfs/dbraw/zinc/49/37/18/1078493718.db2.gz XLVUUKLJMITMAP-RCCKNPSSSA-N 0 0 421.479 0.770 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)CCCN2C(=O)CNC2=O)c1 ZINC000918616242 1078497493 /nfs/dbraw/zinc/49/74/93/1078497493.db2.gz FZEGLTIERSVODV-QNGOZBTKSA-N 0 0 421.479 0.770 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)CCCN2C(=O)CNC2=O)c1 ZINC000918616243 1078497706 /nfs/dbraw/zinc/49/77/06/1078497706.db2.gz FZEGLTIERSVODV-RCCKNPSSSA-N 0 0 421.479 0.770 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC000918616570 1078498592 /nfs/dbraw/zinc/49/85/92/1078498592.db2.gz JGDCQNSHQQSNPB-XSFVSMFZSA-N 0 0 405.436 0.400 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)CC[C@H]2NC(=O)NC2=O)c1 ZINC000918617084 1078498875 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YJWNPCITFCOHLM-UYRXBGFRSA-N 0 0 407.412 0.638 20 30 HCEDRN COCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O ZINC000918639672 1078525509 /nfs/dbraw/zinc/52/55/09/1078525509.db2.gz HPVGONJQNDHAEF-GICLCMKGSA-N 0 0 422.507 0.933 20 30 HCEDRN COCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O ZINC000918639674 1078525232 /nfs/dbraw/zinc/52/52/32/1078525232.db2.gz HPVGONJQNDHAEF-HGNXGAGXSA-N 0 0 422.507 0.933 20 30 HCEDRN COCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O ZINC000918639675 1078525930 /nfs/dbraw/zinc/52/59/30/1078525930.db2.gz HPVGONJQNDHAEF-LQFHHUIYSA-N 0 0 422.507 0.933 20 30 HCEDRN COCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O ZINC000918639677 1078526100 /nfs/dbraw/zinc/52/61/00/1078526100.db2.gz HPVGONJQNDHAEF-NNLSSIJJSA-N 0 0 422.507 0.933 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000918639730 1078526008 /nfs/dbraw/zinc/52/60/08/1078526008.db2.gz JYIKOIBBIWHHKQ-KGENOOAVSA-N 0 0 421.479 0.768 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000918639731 1078526028 /nfs/dbraw/zinc/52/60/28/1078526028.db2.gz JYIKOIBBIWHHKQ-STZFKDTASA-N 0 0 421.479 0.768 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1 ZINC000918640253 1078526005 /nfs/dbraw/zinc/52/60/05/1078526005.db2.gz SROIKUQEYUNFHQ-RGEXLXHISA-N 0 0 407.452 0.332 20 30 HCEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1 ZINC000918640254 1078525962 /nfs/dbraw/zinc/52/59/62/1078525962.db2.gz SROIKUQEYUNFHQ-XMHGGMMESA-N 0 0 407.452 0.332 20 30 HCEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nnc2n1CCC2 ZINC000918647909 1078518417 /nfs/dbraw/zinc/51/84/17/1078518417.db2.gz LRXFGFGFVBXKDQ-UHFFFAOYSA-N 0 0 402.480 0.402 20 30 HCEDRN C#Cc1cccc(NC(=O)CNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000918648279 1078518643 /nfs/dbraw/zinc/51/86/43/1078518643.db2.gz ZTALONSHAOETJW-UHFFFAOYSA-N 0 0 406.354 0.927 20 30 HCEDRN Cc1nccn1-c1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 ZINC000918661968 1078534956 /nfs/dbraw/zinc/53/49/56/1078534956.db2.gz RIGHPWIEBIHRIJ-UHFFFAOYSA-N 0 0 410.459 0.931 20 30 HCEDRN CN(CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000918662773 1078535631 /nfs/dbraw/zinc/53/56/31/1078535631.db2.gz SEIVTELBPRAPEW-UHFFFAOYSA-N 0 0 424.486 0.683 20 30 HCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000918676970 1078541438 /nfs/dbraw/zinc/54/14/38/1078541438.db2.gz RHBJKVZNFDZVHX-HNNXBMFYSA-N 0 0 416.459 0.626 20 30 HCEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000918676971 1078541951 /nfs/dbraw/zinc/54/19/51/1078541951.db2.gz RHBJKVZNFDZVHX-OAHLLOKOSA-N 0 0 416.459 0.626 20 30 HCEDRN N#Cc1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)nc1 ZINC000918684450 1078538063 /nfs/dbraw/zinc/53/80/63/1078538063.db2.gz QKPRNLTZDXZWQY-UHFFFAOYSA-N 0 0 411.443 0.447 20 30 HCEDRN C[C@@H]1NC(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)=NN(c2ccccc2)C1=O ZINC000918684829 1078538563 /nfs/dbraw/zinc/53/85/63/1078538563.db2.gz 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404.467 0.158 20 30 HCEDRN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncn(C)c1=O ZINC000996881372 1079384051 /nfs/dbraw/zinc/38/40/51/1079384051.db2.gz VOESRSQSAVMZJN-IMPIEMTGSA-N 0 0 403.483 0.201 20 30 HCEDRN C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)nn1 ZINC000996882328 1079384385 /nfs/dbraw/zinc/38/43/85/1079384385.db2.gz ZOXKLJLPDBPIGI-ANPSJLJUSA-N 0 0 415.494 0.767 20 30 HCEDRN C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[C@H]2C(=O)N(C)C)nn1 ZINC000996883896 1079384645 /nfs/dbraw/zinc/38/46/45/1079384645.db2.gz GDZPJSYMOSZLPU-KDEOKCCVSA-N 0 0 400.483 0.440 20 30 HCEDRN C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)C2)nn1 ZINC000996885262 1079385233 /nfs/dbraw/zinc/38/52/33/1079385233.db2.gz MQTFEXSVZMAWDO-NMNMXBMNSA-N 0 0 400.483 0.618 20 30 HCEDRN C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CN(C)C[C@@H](C)O2)nn1 ZINC000996885953 1079385368 /nfs/dbraw/zinc/38/53/68/1079385368.db2.gz OYDNVEHUQSXXCH-OSBBLCOHSA-N 0 0 402.499 0.435 20 30 HCEDRN C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[C@@H](C)CC(=O)N2)nn1 ZINC000996886034 1079385511 /nfs/dbraw/zinc/38/55/11/1079385511.db2.gz PILNLERTEAXHNB-GAGVYUBLSA-N 0 0 400.483 0.631 20 30 HCEDRN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cnccc1=O ZINC000996920822 1079396970 /nfs/dbraw/zinc/39/69/70/1079396970.db2.gz FVMPORBALLUSRQ-WDHIOAMHSA-N 0 0 400.479 0.863 20 30 HCEDRN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)N(C)C1=O ZINC000996920865 1079397032 /nfs/dbraw/zinc/39/70/32/1079397032.db2.gz GBGZHNPNSCTAFZ-ZVZLPEGASA-N 0 0 404.467 0.110 20 30 HCEDRN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nc(C)ccc1=O ZINC000996920933 1079397057 /nfs/dbraw/zinc/39/70/57/1079397057.db2.gz HVLXNJNLACCHKS-WDHIOAMHSA-N 0 0 400.479 0.781 20 30 HCEDRN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C(N)=O)cn1C ZINC000996921744 1079396932 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